NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage program type subtype
628233 6cku 30422 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   ASP A   1       1.805  14.875  -2.465  1.00  0.00      A       
ATOM      2  CA  ASP A   1       2.815  15.183  -3.567  1.00  0.00      A       
ATOM      3  CB  ASP A   1       4.081  14.344  -3.375  1.00  0.00      A       
ATOM      4  CG  ASP A   1       5.263  15.174  -2.916  1.00  0.00      A       
ATOM      5  HT1 ASP A   1       3.545  16.895  -2.621  1.00  0.00      A       
ATOM      6  HT2 ASP A   1       2.368  17.210  -3.795  1.00  0.00      A       
ATOM      7  HT3 ASP A   1       3.939  16.797  -4.264  1.00  0.00      A       
ATOM      8  HA  ASP A   1       2.374  14.948  -4.524  1.00  0.00      A       
ATOM      9  HB2 ASP A   1       3.891  13.582  -2.634  1.00  0.00      A       
ATOM     10  HB1 ASP A   1       4.337  13.872  -4.313  1.00  0.00      A       
ATOM     11  N   ASP A   1       3.193  16.621  -3.561  1.00  0.00      A       
ATOM     12  O   ASP A   1       1.184  15.781  -1.908  1.00  0.00      A       
ATOM     13  OD1 ASP A   1       5.536  15.196  -1.697  1.00  0.00      A       
ATOM     14  OD2 ASP A   1       5.917  15.802  -3.775  1.00  0.00      A       
ATOM     15  C   VAL A   2       1.454  12.646   0.108  1.00  0.00      A       
ATOM     16  CA  VAL A   2       0.712  13.163  -1.120  1.00  0.00      A       
ATOM     17  CB  VAL A   2      -0.233  12.061  -1.635  1.00  0.00      A       
ATOM     18  CG1 VAL A   2      -1.448  11.933  -0.729  1.00  0.00      A       
ATOM     19  CG2 VAL A   2      -0.656  12.342  -3.069  1.00  0.00      A       
ATOM     20  HN  VAL A   2       2.170  12.915  -2.633  1.00  0.00      A       
ATOM     21  HA  VAL A   2       0.115  14.017  -0.835  1.00  0.00      A       
ATOM     22  HB  VAL A   2       0.300  11.121  -1.617  1.00  0.00      A       
ATOM     23 HG11 VAL A   2      -2.340  12.177  -1.288  1.00  0.00      A       
ATOM     24 HG12 VAL A   2      -1.349  12.613   0.104  1.00  0.00      A       
ATOM     25 HG13 VAL A   2      -1.519  10.920  -0.362  1.00  0.00      A       
ATOM     26 HG21 VAL A   2      -1.620  12.828  -3.072  1.00  0.00      A       
ATOM     27 HG22 VAL A   2      -0.720  11.412  -3.614  1.00  0.00      A       
ATOM     28 HG23 VAL A   2       0.073  12.985  -3.540  1.00  0.00      A       
ATOM     29  N   VAL A   2       1.646  13.591  -2.155  1.00  0.00      A       
ATOM     30  O   VAL A   2       2.236  11.699   0.019  1.00  0.00      A       
ATOM     31  C   GLN A   3       1.178  11.644   3.097  1.00  0.00      A       
ATOM     32  CA  GLN A   3       1.850  12.877   2.500  1.00  0.00      A       
ATOM     33  CB  GLN A   3       1.815  14.029   3.505  1.00  0.00      A       
ATOM     34  CD  GLN A   3       3.145  15.958   4.455  1.00  0.00      A       
ATOM     35  CG  GLN A   3       2.862  15.099   3.238  1.00  0.00      A       
ATOM     36  HN  GLN A   3       0.571  14.022   1.260  1.00  0.00      A       
ATOM     37  HA  GLN A   3       2.879  12.638   2.277  1.00  0.00      A       
ATOM     38  HB2 GLN A   3       0.840  14.492   3.471  1.00  0.00      A       
ATOM     39  HB1 GLN A   3       1.981  13.633   4.495  1.00  0.00      A       
ATOM     40 HE21 GLN A   3       4.627  16.870   3.494  1.00  0.00      A       
ATOM     41 HE22 GLN A   3       4.344  17.400   5.114  1.00  0.00      A       
ATOM     42  HG2 GLN A   3       3.780  14.618   2.936  1.00  0.00      A       
ATOM     43  HG1 GLN A   3       2.511  15.736   2.439  1.00  0.00      A       
ATOM     44  N   GLN A   3       1.204  13.273   1.253  1.00  0.00      A       
ATOM     45  NE2 GLN A   3       4.139  16.831   4.343  1.00  0.00      A       
ATOM     46  O   GLN A   3       0.016  11.692   3.502  1.00  0.00      A       
ATOM     47  OE1 GLN A   3       2.478  15.839   5.483  1.00  0.00      A       
ATOM     48  C   CYS A   4       0.929   9.461   5.126  1.00  0.00      A       
ATOM     49  CA  CYS A   4       1.403   9.288   3.687  1.00  0.00      A       
ATOM     50  CB  CYS A   4       2.479   8.204   3.619  1.00  0.00      A       
ATOM     51  HN  CYS A   4       2.836  10.568   2.802  1.00  0.00      A       
ATOM     52  HA  CYS A   4       0.563   8.985   3.079  1.00  0.00      A       
ATOM     53  HB2 CYS A   4       3.420   8.620   3.946  1.00  0.00      A       
ATOM     54  HB1 CYS A   4       2.203   7.390   4.273  1.00  0.00      A       
ATOM     55  N   CYS A   4       1.919  10.541   3.145  1.00  0.00      A       
ATOM     56  O   CYS A   4       0.000   8.786   5.569  1.00  0.00      A       
ATOM     57  SG  CYS A   4       2.730   7.515   1.951  1.00  0.00      A       
ATOM     58  C   GLY A   5       2.396  10.697   8.150  1.00  0.00      A       
ATOM     59  CA  GLY A   5       1.196  10.618   7.229  1.00  0.00      A       
ATOM     60  HN  GLY A   5       2.302  10.882   5.440  1.00  0.00      A       
ATOM     61  HA2 GLY A   5       0.653  11.549   7.283  1.00  0.00      A       
ATOM     62  HA1 GLY A   5       0.552   9.819   7.564  1.00  0.00      A       
ATOM     63  N   GLY A   5       1.570  10.372   5.849  1.00  0.00      A       
ATOM     64  O   GLY A   5       2.610   9.810   8.977  1.00  0.00      A       
ATOM     65  C   GLY A   6       5.312  10.762   8.725  1.00  0.00      A       
ATOM     66  CA  GLY A   6       4.357  11.932   8.838  1.00  0.00      A       
ATOM     67  HN  GLY A   6       2.958  12.435   7.331  1.00  0.00      A       
ATOM     68  HA2 GLY A   6       4.870  12.833   8.536  1.00  0.00      A       
ATOM     69  HA1 GLY A   6       4.047  12.032   9.867  1.00  0.00      A       
ATOM     70  N   GLY A   6       3.180  11.761   8.007  1.00  0.00      A       
ATOM     71  O   GLY A   6       5.462   9.981   9.665  1.00  0.00      A       
ATOM     72  C   GLY A   7       7.205   9.327   5.891  1.00  0.00      A       
ATOM     73  CA  GLY A   7       6.894   9.554   7.358  1.00  0.00      A       
ATOM     74  HN  GLY A   7       5.797  11.294   6.858  1.00  0.00      A       
ATOM     75  HA2 GLY A   7       7.814   9.780   7.877  1.00  0.00      A       
ATOM     76  HA1 GLY A   7       6.476   8.647   7.769  1.00  0.00      A       
ATOM     77  N   GLY A   7       5.958  10.640   7.570  1.00  0.00      A       
ATOM     78  O   GLY A   7       8.209   9.822   5.380  1.00  0.00      A       
ATOM     79  C   PHE A   8       5.783   9.247   2.910  1.00  0.00      A       
ATOM     80  CA  PHE A   8       6.543   8.271   3.800  1.00  0.00      A       
ATOM     81  CB  PHE A   8       6.089   6.846   3.494  1.00  0.00      A       
ATOM     82  CD1 PHE A   8       7.808   5.360   2.425  1.00  0.00      A       
ATOM     83  CD2 PHE A   8       7.607   5.335   4.801  1.00  0.00      A       
ATOM     84  CE1 PHE A   8       8.819   4.420   2.498  1.00  0.00      A       
ATOM     85  CE2 PHE A   8       8.618   4.396   4.880  1.00  0.00      A       
ATOM     86  CG  PHE A   8       7.192   5.828   3.574  1.00  0.00      A       
ATOM     87  CZ  PHE A   8       9.224   3.938   3.727  1.00  0.00      A       
ATOM     88  HN  PHE A   8       5.566   8.195   5.677  1.00  0.00      A       
ATOM     89  HA  PHE A   8       7.597   8.355   3.585  1.00  0.00      A       
ATOM     90  HB2 PHE A   8       5.324   6.560   4.200  1.00  0.00      A       
ATOM     91  HB1 PHE A   8       5.678   6.816   2.496  1.00  0.00      A       
ATOM     92  HD1 PHE A   8       7.493   5.737   1.463  1.00  0.00      A       
ATOM     93  HD2 PHE A   8       7.133   5.693   5.703  1.00  0.00      A       
ATOM     94  HE1 PHE A   8       9.291   4.063   1.594  1.00  0.00      A       
ATOM     95  HE2 PHE A   8       8.932   4.020   5.842  1.00  0.00      A       
ATOM     96  HZ  PHE A   8      10.013   3.203   3.786  1.00  0.00      A       
ATOM     97  N   PHE A   8       6.346   8.569   5.214  1.00  0.00      A       
ATOM     98  O   PHE A   8       5.168  10.200   3.391  1.00  0.00      A       
ATOM     99  C   SER A   9       5.034   9.094  -0.708  1.00  0.00      A       
ATOM    100  CA  SER A   9       5.152   9.827   0.625  1.00  0.00      A       
ATOM    101  CB  SER A   9       5.907  11.144   0.434  1.00  0.00      A       
ATOM    102  HN  SER A   9       6.339   8.212   1.297  1.00  0.00      A       
ATOM    103  HA  SER A   9       4.161  10.038   0.997  1.00  0.00      A       
ATOM    104  HB2 SER A   9       5.959  11.377  -0.620  1.00  0.00      A       
ATOM    105  HB1 SER A   9       5.384  11.934   0.952  1.00  0.00      A       
ATOM    106  HG  SER A   9       7.567  10.172   0.802  1.00  0.00      A       
ATOM    107  N   SER A   9       5.831   8.991   1.607  1.00  0.00      A       
ATOM    108  O   SER A   9       5.848   8.225  -1.022  1.00  0.00      A       
ATOM    109  OG  SER A   9       7.225  11.057   0.947  1.00  0.00      A       
ATOM    110  C   CYS A  10       3.485   9.866  -3.855  1.00  0.00      A       
ATOM    111  CA  CYS A  10       3.805   8.820  -2.790  1.00  0.00      A       
ATOM    112  CB  CYS A  10       2.678   7.788  -2.703  1.00  0.00      A       
ATOM    113  HN  CYS A  10       3.405  10.149  -1.191  1.00  0.00      A       
ATOM    114  HA  CYS A  10       4.719   8.316  -3.066  1.00  0.00      A       
ATOM    115  HB2 CYS A  10       1.973   8.099  -1.947  1.00  0.00      A       
ATOM    116  HB1 CYS A  10       2.176   7.734  -3.657  1.00  0.00      A       
ATOM    117  N   CYS A  10       4.020   9.448  -1.491  1.00  0.00      A       
ATOM    118  O   CYS A  10       3.276  11.040  -3.545  1.00  0.00      A       
ATOM    119  SG  CYS A  10       3.241   6.105  -2.276  1.00  0.00      A       
ATOM    120  C   HIS A  11       1.696  10.517  -6.462  1.00  0.00      A       
ATOM    121  CA  HIS A  11       3.194  10.335  -6.230  1.00  0.00      A       
ATOM    122  CB  HIS A  11       3.858   9.811  -7.505  1.00  0.00      A       
ATOM    123  CD2 HIS A  11       5.016  11.233  -9.340  1.00  0.00      A       
ATOM    124  CE1 HIS A  11       6.606  12.109  -8.110  1.00  0.00      A       
ATOM    125  CG  HIS A  11       4.866  10.756  -8.082  1.00  0.00      A       
ATOM    126  HN  HIS A  11       3.659   8.489  -5.289  1.00  0.00      A       
ATOM    127  HA  HIS A  11       3.623  11.295  -5.987  1.00  0.00      A       
ATOM    128  HB2 HIS A  11       4.363   8.882  -7.284  1.00  0.00      A       
ATOM    129  HB1 HIS A  11       3.099   9.635  -8.253  1.00  0.00      A       
ATOM    130  HD1 HIS A  11       6.038  11.174  -6.381  1.00  0.00      A       
ATOM    131  HD2 HIS A  11       4.395  10.998 -10.194  1.00  0.00      A       
ATOM    132  HE1 HIS A  11       7.466  12.682  -7.798  1.00  0.00      A       
ATOM    133  HE2 HIS A  11       6.418  12.608 -10.087  1.00  0.00      A       
ATOM    134  N   HIS A  11       3.466   9.434  -5.113  1.00  0.00      A       
ATOM    135  ND1 HIS A  11       5.878  11.323  -7.336  1.00  0.00      A       
ATOM    136  NE2 HIS A  11       6.104  12.071  -9.330  1.00  0.00      A       
ATOM    137  O   HIS A  11       0.869   9.793  -5.902  1.00  0.00      A       
ATOM    138  C   ASP A  12      -0.720  10.567  -8.216  1.00  0.00      A       
ATOM    139  CA  ASP A  12      -0.035  11.788  -7.616  1.00  0.00      A       
ATOM    140  CB  ASP A  12      -0.120  12.967  -8.588  1.00  0.00      A       
ATOM    141  CG  ASP A  12      -0.962  14.104  -8.043  1.00  0.00      A       
ATOM    142  HN  ASP A  12       2.065  12.035  -7.710  1.00  0.00      A       
ATOM    143  HA  ASP A  12      -0.537  12.053  -6.698  1.00  0.00      A       
ATOM    144  HB2 ASP A  12       0.875  13.341  -8.779  1.00  0.00      A       
ATOM    145  HB1 ASP A  12      -0.559  12.631  -9.516  1.00  0.00      A       
ATOM    146  N   ASP A  12       1.357  11.496  -7.297  1.00  0.00      A       
ATOM    147  O   ASP A  12      -0.187   9.927  -9.124  1.00  0.00      A       
ATOM    148  OD1 ASP A  12      -2.156  13.876  -7.760  1.00  0.00      A       
ATOM    149  OD2 ASP A  12      -0.425  15.223  -7.899  1.00  0.00      A       
ATOM    150  C   GLY A  13      -2.371   7.852  -7.376  1.00  0.00      A       
ATOM    151  CA  GLY A  13      -2.637   9.100  -8.193  1.00  0.00      A       
ATOM    152  HN  GLY A  13      -2.274  10.793  -6.978  1.00  0.00      A       
ATOM    153  HA2 GLY A  13      -3.694   9.321  -8.159  1.00  0.00      A       
ATOM    154  HA1 GLY A  13      -2.351   8.914  -9.218  1.00  0.00      A       
ATOM    155  N   GLY A  13      -1.901  10.247  -7.701  1.00  0.00      A       
ATOM    156  O   GLY A  13      -3.051   6.839  -7.540  1.00  0.00      A       
ATOM    157  C   GLU A  14      -1.790   6.849  -4.321  1.00  0.00      A       
ATOM    158  CA  GLU A  14      -1.036   6.790  -5.644  1.00  0.00      A       
ATOM    159  CB  GLU A  14       0.468   6.747  -5.379  1.00  0.00      A       
ATOM    160  CD  GLU A  14       1.281   5.847  -7.596  1.00  0.00      A       
ATOM    161  CG  GLU A  14       1.316   7.002  -6.614  1.00  0.00      A       
ATOM    162  HN  GLU A  14      -0.875   8.766  -6.402  1.00  0.00      A       
ATOM    163  HA  GLU A  14      -1.324   5.890  -6.167  1.00  0.00      A       
ATOM    164  HB2 GLU A  14       0.710   7.493  -4.640  1.00  0.00      A       
ATOM    165  HB1 GLU A  14       0.724   5.773  -4.990  1.00  0.00      A       
ATOM    166  HG2 GLU A  14       0.948   7.887  -7.112  1.00  0.00      A       
ATOM    167  HG1 GLU A  14       2.339   7.164  -6.305  1.00  0.00      A       
ATOM    168  N   GLU A  14      -1.380   7.926  -6.490  1.00  0.00      A       
ATOM    169  O   GLU A  14      -2.485   7.823  -4.032  1.00  0.00      A       
ATOM    170  OE1 GLU A  14       1.178   6.106  -8.813  1.00  0.00      A       
ATOM    171  OE2 GLU A  14       1.357   4.684  -7.146  1.00  0.00      A       
ATOM    172  C   THR A  15      -1.388   5.165  -1.165  1.00  0.00      A       
ATOM    173  CA  THR A  15      -2.324   5.709  -2.237  1.00  0.00      A       
ATOM    174  CB  THR A  15      -3.569   4.809  -2.320  1.00  0.00      A       
ATOM    175  CG2 THR A  15      -4.507   5.070  -1.151  1.00  0.00      A       
ATOM    176  HN  THR A  15      -1.090   5.045  -3.821  1.00  0.00      A       
ATOM    177  HA  THR A  15      -2.640   6.704  -1.957  1.00  0.00      A       
ATOM    178  HB  THR A  15      -3.252   3.775  -2.286  1.00  0.00      A       
ATOM    179  HG1 THR A  15      -3.674   4.846  -4.289  1.00  0.00      A       
ATOM    180 HG21 THR A  15      -5.429   4.527  -1.301  1.00  0.00      A       
ATOM    181 HG22 THR A  15      -4.718   6.127  -1.087  1.00  0.00      A       
ATOM    182 HG23 THR A  15      -4.040   4.740  -0.235  1.00  0.00      A       
ATOM    183  N   THR A  15      -1.653   5.794  -3.527  1.00  0.00      A       
ATOM    184  O   THR A  15      -0.658   4.202  -1.394  1.00  0.00      A       
ATOM    185  OG1 THR A  15      -4.257   5.047  -3.552  1.00  0.00      A       
ATOM    186  C   CYS A  16      -1.278   4.328   1.983  1.00  0.00      A       
ATOM    187  CA  CYS A  16      -0.565   5.360   1.113  1.00  0.00      A       
ATOM    188  CB  CYS A  16      -0.148   6.568   1.951  1.00  0.00      A       
ATOM    189  HN  CYS A  16      -2.017   6.548   0.133  1.00  0.00      A       
ATOM    190  HA  CYS A  16       0.319   4.905   0.692  1.00  0.00      A       
ATOM    191  HB2 CYS A  16      -1.032   7.101   2.269  1.00  0.00      A       
ATOM    192  HB1 CYS A  16       0.393   6.224   2.822  1.00  0.00      A       
ATOM    193  N   CYS A  16      -1.413   5.786   0.008  1.00  0.00      A       
ATOM    194  O   CYS A  16      -2.322   4.610   2.571  1.00  0.00      A       
ATOM    195  SG  CYS A  16       0.921   7.745   1.062  1.00  0.00      A       
ATOM    196  C   CYS A  17      -0.323   1.660   3.983  1.00  0.00      A       
ATOM    197  CA  CYS A  17      -1.273   2.050   2.854  1.00  0.00      A       
ATOM    198  CB  CYS A  17      -1.559   0.834   1.970  1.00  0.00      A       
ATOM    199  HN  CYS A  17       0.129   2.971   1.567  1.00  0.00      A       
ATOM    200  HA  CYS A  17      -2.200   2.402   3.282  1.00  0.00      A       
ATOM    201  HB2 CYS A  17      -0.724   0.680   1.302  1.00  0.00      A       
ATOM    202  HB1 CYS A  17      -1.678  -0.037   2.597  1.00  0.00      A       
ATOM    203  N   CYS A  17      -0.702   3.131   2.058  1.00  0.00      A       
ATOM    204  O   CYS A  17       0.836   1.328   3.740  1.00  0.00      A       
ATOM    205  SG  CYS A  17      -3.059   0.993   0.948  1.00  0.00      A       
ATOM    206  C   PRO A  18      -0.044  -0.121   6.744  1.00  0.00      A       
ATOM    207  CA  PRO A  18       0.016   1.364   6.400  1.00  0.00      A       
ATOM    208  CB  PRO A  18      -0.636   2.195   7.500  1.00  0.00      A       
ATOM    209  CD  PRO A  18      -2.164   2.096   5.632  1.00  0.00      A       
ATOM    210  CG  PRO A  18      -2.085   2.226   7.137  1.00  0.00      A       
ATOM    211  HA  PRO A  18       1.045   1.669   6.270  1.00  0.00      A       
ATOM    212  HB2 PRO A  18      -0.475   1.719   8.457  1.00  0.00      A       
ATOM    213  HB1 PRO A  18      -0.210   3.187   7.508  1.00  0.00      A       
ATOM    214  HD2 PRO A  18      -2.875   1.332   5.356  1.00  0.00      A       
ATOM    215  HD1 PRO A  18      -2.436   3.039   5.185  1.00  0.00      A       
ATOM    216  HG2 PRO A  18      -2.597   1.400   7.609  1.00  0.00      A       
ATOM    217  HG1 PRO A  18      -2.520   3.163   7.453  1.00  0.00      A       
ATOM    218  N   PRO A  18      -0.798   1.703   5.238  1.00  0.00      A       
ATOM    219  O   PRO A  18      -0.598  -0.507   7.774  1.00  0.00      A       
ATOM    220  C   THR A  19       1.569  -2.781   7.157  1.00  0.00      A       
ATOM    221  CA  THR A  19       0.538  -2.394   6.100  1.00  0.00      A       
ATOM    222  CB  THR A  19       0.837  -3.160   4.797  1.00  0.00      A       
ATOM    223  CG2 THR A  19       2.178  -2.739   4.214  1.00  0.00      A       
ATOM    224  HN  THR A  19       0.957  -0.592   5.075  1.00  0.00      A       
ATOM    225  HA  THR A  19      -0.443  -2.684   6.446  1.00  0.00      A       
ATOM    226  HB  THR A  19       0.063  -2.933   4.078  1.00  0.00      A       
ATOM    227  HG1 THR A  19       0.297  -4.762   5.813  1.00  0.00      A       
ATOM    228 HG21 THR A  19       2.898  -3.531   4.358  1.00  0.00      A       
ATOM    229 HG22 THR A  19       2.522  -1.845   4.713  1.00  0.00      A       
ATOM    230 HG23 THR A  19       2.065  -2.541   3.158  1.00  0.00      A       
ATOM    231  N   THR A  19       0.529  -0.952   5.879  1.00  0.00      A       
ATOM    232  O   THR A  19       1.804  -3.963   7.407  1.00  0.00      A       
ATOM    233  OG1 THR A  19       0.842  -4.571   5.047  1.00  0.00      A       
ATOM    234  C   SER A  20       3.009  -0.999   9.952  1.00  0.00      A       
ATOM    235  CA  SER A  20       3.177  -2.001   8.813  1.00  0.00      A       
ATOM    236  CB  SER A  20       4.585  -1.894   8.223  1.00  0.00      A       
ATOM    237  HN  SER A  20       1.941  -0.853   7.539  1.00  0.00      A       
ATOM    238  HA  SER A  20       3.033  -2.998   9.201  1.00  0.00      A       
ATOM    239  HB2 SER A  20       4.533  -1.408   7.260  1.00  0.00      A       
ATOM    240  HB1 SER A  20       5.208  -1.313   8.887  1.00  0.00      A       
ATOM    241  HG  SER A  20       5.340  -3.563   8.916  1.00  0.00      A       
ATOM    242  N   SER A  20       2.176  -1.774   7.778  1.00  0.00      A       
ATOM    243  O   SER A  20       1.957  -0.374  10.088  1.00  0.00      A       
ATOM    244  OG  SER A  20       5.167  -3.175   8.055  1.00  0.00      A       
ATOM    245  C   GLN A  21       4.871   1.305  11.616  1.00  0.00      A       
ATOM    246  CA  GLN A  21       4.011   0.076  11.892  1.00  0.00      A       
ATOM    247  CB  GLN A  21       4.490  -0.618  13.167  1.00  0.00      A       
ATOM    248  CD  GLN A  21       3.127  -0.613  15.294  1.00  0.00      A       
ATOM    249  CG  GLN A  21       3.371  -1.281  13.954  1.00  0.00      A       
ATOM    250  HN  GLN A  21       4.860  -1.377  10.608  1.00  0.00      A       
ATOM    251  HA  GLN A  21       2.987   0.392  12.027  1.00  0.00      A       
ATOM    252  HB2 GLN A  21       5.211  -1.376  12.900  1.00  0.00      A       
ATOM    253  HB1 GLN A  21       4.966   0.112  13.804  1.00  0.00      A       
ATOM    254 HE21 GLN A  21       2.560   1.062  14.384  1.00  0.00      A       
ATOM    255 HE22 GLN A  21       2.530   1.098  16.111  1.00  0.00      A       
ATOM    256  HG2 GLN A  21       2.461  -1.231  13.375  1.00  0.00      A       
ATOM    257  HG1 GLN A  21       3.632  -2.315  14.126  1.00  0.00      A       
ATOM    258  N   GLN A  21       4.048  -0.851  10.766  1.00  0.00      A       
ATOM    259  NE2 GLN A  21       2.695   0.642  15.260  1.00  0.00      A       
ATOM    260  O   GLN A  21       4.590   2.396  12.112  1.00  0.00      A       
ATOM    261  OE1 GLN A  21       3.325  -1.219  16.347  1.00  0.00      A       
ATOM    262  C   THR A  22       7.085   2.253   8.974  1.00  0.00      A       
ATOM    263  CA  THR A  22       6.819   2.214  10.475  1.00  0.00      A       
ATOM    264  CB  THR A  22       8.161   2.091  11.223  1.00  0.00      A       
ATOM    265  CG2 THR A  22       8.882   0.808  10.837  1.00  0.00      A       
ATOM    266  HN  THR A  22       6.088   0.228  10.452  1.00  0.00      A       
ATOM    267  HA  THR A  22       6.348   3.140  10.772  1.00  0.00      A       
ATOM    268  HB  THR A  22       7.963   2.069  12.285  1.00  0.00      A       
ATOM    269  HG1 THR A  22       9.895   3.031  11.198  1.00  0.00      A       
ATOM    270 HG21 THR A  22       8.220   0.184  10.255  1.00  0.00      A       
ATOM    271 HG22 THR A  22       9.180   0.280  11.731  1.00  0.00      A       
ATOM    272 HG23 THR A  22       9.757   1.048  10.252  1.00  0.00      A       
ATOM    273  N   THR A  22       5.918   1.121  10.819  1.00  0.00      A       
ATOM    274  O   THR A  22       7.922   3.023   8.501  1.00  0.00      A       
ATOM    275  OG1 THR A  22       8.994   3.219  10.928  1.00  0.00      A       
ATOM    276  C   THR A  23       5.242   1.718   6.060  1.00  0.00      A       
ATOM    277  CA  THR A  23       6.535   1.349   6.783  1.00  0.00      A       
ATOM    278  CB  THR A  23       6.979  -0.055   6.331  1.00  0.00      A       
ATOM    279  CG2 THR A  23       7.763   0.019   5.029  1.00  0.00      A       
ATOM    280  HN  THR A  23       5.723   0.821   8.664  1.00  0.00      A       
ATOM    281  HA  THR A  23       7.305   2.053   6.503  1.00  0.00      A       
ATOM    282  HB  THR A  23       6.099  -0.660   6.170  1.00  0.00      A       
ATOM    283  HG1 THR A  23       7.900  -0.051   8.077  1.00  0.00      A       
ATOM    284 HG21 THR A  23       7.928  -0.980   4.652  1.00  0.00      A       
ATOM    285 HG22 THR A  23       8.714   0.497   5.208  1.00  0.00      A       
ATOM    286 HG23 THR A  23       7.203   0.590   4.304  1.00  0.00      A       
ATOM    287  N   THR A  23       6.371   1.413   8.229  1.00  0.00      A       
ATOM    288  O   THR A  23       4.145   1.511   6.579  1.00  0.00      A       
ATOM    289  OG1 THR A  23       7.787  -0.664   7.346  1.00  0.00      A       
ATOM    290  C   TRP A  24       4.365   2.114   2.629  1.00  0.00      A       
ATOM    291  CA  TRP A  24       4.238   2.664   4.047  1.00  0.00      A       
ATOM    292  CB  TRP A  24       4.135   4.188   3.993  1.00  0.00      A       
ATOM    293  CD1 TRP A  24       4.051   5.300   6.300  1.00  0.00      A       
ATOM    294  CD2 TRP A  24       2.048   4.968   5.363  1.00  0.00      A       
ATOM    295  CE2 TRP A  24       1.859   5.582   6.615  1.00  0.00      A       
ATOM    296  CE3 TRP A  24       0.930   4.662   4.587  1.00  0.00      A       
ATOM    297  CG  TRP A  24       3.455   4.795   5.181  1.00  0.00      A       
ATOM    298  CH2 TRP A  24      -0.483   5.584   6.322  1.00  0.00      A       
ATOM    299  CZ2 TRP A  24       0.594   5.896   7.105  1.00  0.00      A       
ATOM    300  CZ3 TRP A  24      -0.324   4.973   5.074  1.00  0.00      A       
ATOM    301  HN  TRP A  24       6.288   2.398   4.499  1.00  0.00      A       
ATOM    302  HA  TRP A  24       3.343   2.262   4.506  1.00  0.00      A       
ATOM    303  HB2 TRP A  24       5.128   4.605   3.933  1.00  0.00      A       
ATOM    304  HB1 TRP A  24       3.579   4.471   3.110  1.00  0.00      A       
ATOM    305  HD1 TRP A  24       5.117   5.316   6.464  1.00  0.00      A       
ATOM    306  HE1 TRP A  24       3.275   6.188   8.040  1.00  0.00      A       
ATOM    307  HE3 TRP A  24       1.035   4.192   3.622  1.00  0.00      A       
ATOM    308  HH2 TRP A  24      -1.482   5.807   6.660  1.00  0.00      A       
ATOM    309  HZ2 TRP A  24       0.454   6.369   8.066  1.00  0.00      A       
ATOM    310  HZ3 TRP A  24      -1.200   4.742   4.487  1.00  0.00      A       
ATOM    311  N   TRP A  24       5.385   2.263   4.856  1.00  0.00      A       
ATOM    312  NE1 TRP A  24       3.098   5.776   7.168  1.00  0.00      A       
ATOM    313  O   TRP A  24       5.443   2.157   2.035  1.00  0.00      A       
ATOM    314  C   GLY A  25       2.472   1.877  -0.233  1.00  0.00      A       
ATOM    315  CA  GLY A  25       3.286   1.053   0.747  1.00  0.00      A       
ATOM    316  HN  GLY A  25       2.434   1.591   2.609  1.00  0.00      A       
ATOM    317  HA2 GLY A  25       4.308   1.013   0.403  1.00  0.00      A       
ATOM    318  HA1 GLY A  25       2.887   0.050   0.773  1.00  0.00      A       
ATOM    319  N   GLY A  25       3.265   1.600   2.091  1.00  0.00      A       
ATOM    320  O   GLY A  25       1.439   2.444   0.129  1.00  0.00      A       
ATOM    321  C   CYS A  26       1.281   1.780  -3.282  1.00  0.00      A       
ATOM    322  CA  CYS A  26       2.247   2.688  -2.523  1.00  0.00      A       
ATOM    323  CB  CYS A  26       3.260   3.308  -3.488  1.00  0.00      A       
ATOM    324  HN  CYS A  26       3.761   1.458  -1.703  1.00  0.00      A       
ATOM    325  HA  CYS A  26       1.683   3.477  -2.047  1.00  0.00      A       
ATOM    326  HB2 CYS A  26       4.236   3.301  -3.027  1.00  0.00      A       
ATOM    327  HB1 CYS A  26       3.291   2.716  -4.392  1.00  0.00      A       
ATOM    328  N   CYS A  26       2.936   1.936  -1.479  1.00  0.00      A       
ATOM    329  O   CYS A  26       1.694   0.801  -3.904  1.00  0.00      A       
ATOM    330  SG  CYS A  26       2.885   5.028  -3.964  1.00  0.00      A       
ATOM    331  C   CYS A  27      -1.920   2.171  -4.768  1.00  0.00      A       
ATOM    332  CA  CYS A  27      -1.035   1.307  -3.870  1.00  0.00      A       
ATOM    333  CB  CYS A  27      -1.891   0.605  -2.817  1.00  0.00      A       
ATOM    334  HN  CYS A  27      -0.272   2.884  -2.685  1.00  0.00      A       
ATOM    335  HA  CYS A  27      -0.543   0.561  -4.476  1.00  0.00      A       
ATOM    336  HB2 CYS A  27      -1.919   1.212  -1.924  1.00  0.00      A       
ATOM    337  HB1 CYS A  27      -2.895   0.489  -3.198  1.00  0.00      A       
ATOM    338  N   CYS A  27      -0.006   2.102  -3.209  1.00  0.00      A       
ATOM    339  O   CYS A  27      -1.980   3.387  -4.602  1.00  0.00      A       
ATOM    340  SG  CYS A  27      -1.279  -1.044  -2.345  1.00  0.00      A       
ATOM    341  C   PRO A  28      -4.895   2.503  -6.062  1.00  0.00      A       
ATOM    342  CA  PRO A  28      -3.507   2.269  -6.655  1.00  0.00      A       
ATOM    343  CB  PRO A  28      -3.588   1.322  -7.847  1.00  0.00      A       
ATOM    344  CD  PRO A  28      -2.615   0.099  -6.017  1.00  0.00      A       
ATOM    345  CG  PRO A  28      -3.477  -0.040  -7.249  1.00  0.00      A       
ATOM    346  HA  PRO A  28      -3.081   3.211  -6.964  1.00  0.00      A       
ATOM    347  HB2 PRO A  28      -4.532   1.457  -8.356  1.00  0.00      A       
ATOM    348  HB1 PRO A  28      -2.773   1.521  -8.526  1.00  0.00      A       
ATOM    349  HD2 PRO A  28      -3.044  -0.454  -5.194  1.00  0.00      A       
ATOM    350  HD1 PRO A  28      -1.612  -0.247  -6.219  1.00  0.00      A       
ATOM    351  HG2 PRO A  28      -4.458  -0.401  -6.978  1.00  0.00      A       
ATOM    352  HG1 PRO A  28      -3.013  -0.713  -7.955  1.00  0.00      A       
ATOM    353  N   PRO A  28      -2.624   1.550  -5.736  1.00  0.00      A       
ATOM    354  O   PRO A  28      -5.225   1.961  -5.007  1.00  0.00      A       
ATOM    355  C   SER A  29      -7.036   4.394  -4.976  1.00  0.00      A       
ATOM    356  CA  SER A  29      -7.056   3.631  -6.303  1.00  0.00      A       
ATOM    357  CB  SER A  29      -7.890   2.355  -6.163  1.00  0.00      A       
ATOM    358  HN  SER A  29      -5.370   3.712  -7.583  1.00  0.00      A       
ATOM    359  HA  SER A  29      -7.509   4.261  -7.055  1.00  0.00      A       
ATOM    360  HB2 SER A  29      -7.269   1.497  -6.370  1.00  0.00      A       
ATOM    361  HB1 SER A  29      -8.273   2.286  -5.155  1.00  0.00      A       
ATOM    362  HG  SER A  29      -8.820   1.718  -7.765  1.00  0.00      A       
ATOM    363  N   SER A  29      -5.699   3.314  -6.750  1.00  0.00      A       
ATOM    364  O   SER A  29      -6.481   3.918  -3.987  1.00  0.00      A       
ATOM    365  OG  SER A  29      -8.981   2.357  -7.067  1.00  0.00      A       
ATOM    366  C   PRO A  30      -8.392   5.748  -2.558  1.00  0.00      A       
ATOM    367  CA  PRO A  30      -7.684   6.428  -3.728  1.00  0.00      A       
ATOM    368  CB  PRO A  30      -8.462   7.675  -4.168  1.00  0.00      A       
ATOM    369  CD  PRO A  30      -8.331   6.242  -6.069  1.00  0.00      A       
ATOM    370  CG  PRO A  30      -9.200   7.261  -5.394  1.00  0.00      A       
ATOM    371  HA  PRO A  30      -6.690   6.717  -3.420  1.00  0.00      A       
ATOM    372  HB2 PRO A  30      -9.140   7.975  -3.381  1.00  0.00      A       
ATOM    373  HB1 PRO A  30      -7.770   8.478  -4.377  1.00  0.00      A       
ATOM    374  HD2 PRO A  30      -8.934   5.530  -6.613  1.00  0.00      A       
ATOM    375  HD1 PRO A  30      -7.623   6.723  -6.728  1.00  0.00      A       
ATOM    376  HG2 PRO A  30     -10.149   6.824  -5.121  1.00  0.00      A       
ATOM    377  HG1 PRO A  30      -9.350   8.114  -6.039  1.00  0.00      A       
ATOM    378  N   PRO A  30      -7.642   5.596  -4.939  1.00  0.00      A       
ATOM    379  O   PRO A  30      -7.817   5.599  -1.479  1.00  0.00      A       
ATOM    380  C   LYS A  31     -10.183   3.194  -1.689  1.00  0.00      A       
ATOM    381  CA  LYS A  31     -10.426   4.701  -1.719  1.00  0.00      A       
ATOM    382  CB  LYS A  31     -11.917   4.986  -1.915  1.00  0.00      A       
ATOM    383  CD  LYS A  31     -12.921   7.087  -0.969  1.00  0.00      A       
ATOM    384  CE  LYS A  31     -14.383   7.384  -1.261  1.00  0.00      A       
ATOM    385  CG  LYS A  31     -12.231   6.452  -2.165  1.00  0.00      A       
ATOM    386  HN  LYS A  31     -10.054   5.504  -3.645  1.00  0.00      A       
ATOM    387  HA  LYS A  31     -10.114   5.118  -0.773  1.00  0.00      A       
ATOM    388  HB2 LYS A  31     -12.272   4.415  -2.760  1.00  0.00      A       
ATOM    389  HB1 LYS A  31     -12.450   4.672  -1.029  1.00  0.00      A       
ATOM    390  HD2 LYS A  31     -12.863   6.410  -0.130  1.00  0.00      A       
ATOM    391  HD1 LYS A  31     -12.418   8.011  -0.724  1.00  0.00      A       
ATOM    392  HE2 LYS A  31     -14.472   8.411  -1.582  1.00  0.00      A       
ATOM    393  HE1 LYS A  31     -14.719   6.730  -2.052  1.00  0.00      A       
ATOM    394  HG2 LYS A  31     -11.309   6.980  -2.357  1.00  0.00      A       
ATOM    395  HG1 LYS A  31     -12.878   6.529  -3.026  1.00  0.00      A       
ATOM    396  HZ1 LYS A  31     -15.896   7.976   0.053  1.00  0.00      A       
ATOM    397  HZ2 LYS A  31     -14.652   7.099   0.791  1.00  0.00      A       
ATOM    398  HZ3 LYS A  31     -15.796   6.301  -0.167  1.00  0.00      A       
ATOM    399  N   LYS A  31      -9.644   5.350  -2.769  1.00  0.00      A       
ATOM    400  NZ  LYS A  31     -15.242   7.175  -0.062  1.00  0.00      A       
ATOM    401  O   LYS A  31     -11.008   2.435  -1.180  1.00  0.00      A       
ATOM    402  C   ALA A  32      -8.653   0.769  -0.848  1.00  0.00      A       
ATOM    403  CA  ALA A  32      -8.694   1.351  -2.259  1.00  0.00      A       
ATOM    404  CB  ALA A  32      -7.348   1.158  -2.940  1.00  0.00      A       
ATOM    405  HN  ALA A  32      -8.426   3.421  -2.618  1.00  0.00      A       
ATOM    406  HA  ALA A  32      -9.442   0.827  -2.840  1.00  0.00      A       
ATOM    407  HB1 ALA A  32      -6.560   1.480  -2.276  1.00  0.00      A       
ATOM    408  HB2 ALA A  32      -7.316   1.742  -3.847  1.00  0.00      A       
ATOM    409  HB3 ALA A  32      -7.212   0.113  -3.179  1.00  0.00      A       
ATOM    410  N   ALA A  32      -9.046   2.767  -2.231  1.00  0.00      A       
ATOM    411  O   ALA A  32      -8.540   1.504   0.133  1.00  0.00      A       
ATOM    412  C   VAL A  33      -7.398  -2.054   0.644  1.00  0.00      A       
ATOM    413  CA  VAL A  33      -8.682  -1.240   0.532  1.00  0.00      A       
ATOM    414  CB  VAL A  33      -9.897  -2.169   0.727  1.00  0.00      A       
ATOM    415  CG1 VAL A  33      -9.796  -2.918   2.048  1.00  0.00      A       
ATOM    416  CG2 VAL A  33     -11.191  -1.374   0.657  1.00  0.00      A       
ATOM    417  HN  VAL A  33      -8.803  -1.089  -1.571  1.00  0.00      A       
ATOM    418  HA  VAL A  33      -8.693  -0.491   1.311  1.00  0.00      A       
ATOM    419  HB  VAL A  33      -9.902  -2.895  -0.073  1.00  0.00      A       
ATOM    420 HG11 VAL A  33     -10.034  -3.959   1.890  1.00  0.00      A       
ATOM    421 HG12 VAL A  33     -10.493  -2.493   2.756  1.00  0.00      A       
ATOM    422 HG13 VAL A  33      -8.792  -2.832   2.435  1.00  0.00      A       
ATOM    423 HG21 VAL A  33     -11.615  -1.462  -0.332  1.00  0.00      A       
ATOM    424 HG22 VAL A  33     -10.987  -0.336   0.872  1.00  0.00      A       
ATOM    425 HG23 VAL A  33     -11.890  -1.761   1.384  1.00  0.00      A       
ATOM    426  N   VAL A  33      -8.729  -0.556  -0.755  1.00  0.00      A       
ATOM    427  O   VAL A  33      -7.226  -3.057  -0.048  1.00  0.00      A       
ATOM    428  C   CYS A  34      -5.373  -3.600   2.448  1.00  0.00      A       
ATOM    429  CA  CYS A  34      -5.216  -2.283   1.694  1.00  0.00      A       
ATOM    430  CB  CYS A  34      -4.243  -1.367   2.443  1.00  0.00      A       
ATOM    431  HN  CYS A  34      -6.684  -0.797   2.024  1.00  0.00      A       
ATOM    432  HA  CYS A  34      -4.810  -2.492   0.716  1.00  0.00      A       
ATOM    433  HB2 CYS A  34      -4.315  -1.563   3.502  1.00  0.00      A       
ATOM    434  HB1 CYS A  34      -3.237  -1.575   2.111  1.00  0.00      A       
ATOM    435  N   CYS A  34      -6.494  -1.608   1.507  1.00  0.00      A       
ATOM    436  O   CYS A  34      -5.672  -3.610   3.642  1.00  0.00      A       
ATOM    437  SG  CYS A  34      -4.554   0.411   2.191  1.00  0.00      A       
ATOM    438  C   CYS A  35      -4.199  -6.123   3.482  1.00  0.00      A       
ATOM    439  CA  CYS A  35      -5.219  -6.030   2.356  1.00  0.00      A       
ATOM    440  CB  CYS A  35      -4.964  -7.122   1.317  1.00  0.00      A       
ATOM    441  HN  CYS A  35      -4.880  -4.634   0.807  1.00  0.00      A       
ATOM    442  HA  CYS A  35      -6.210  -6.150   2.767  1.00  0.00      A       
ATOM    443  HB2 CYS A  35      -5.153  -6.723   0.332  1.00  0.00      A       
ATOM    444  HB1 CYS A  35      -3.933  -7.436   1.381  1.00  0.00      A       
ATOM    445  N   CYS A  35      -5.138  -4.710   1.747  1.00  0.00      A       
ATOM    446  O   CYS A  35      -2.987  -6.003   3.249  1.00  0.00      A       
ATOM    447  SG  CYS A  35      -6.008  -8.601   1.523  1.00  0.00      A       
ATOM    448  C   ASP A  36      -3.598  -7.830   6.327  1.00  0.00      A       
ATOM    449  CA  ASP A  36      -3.861  -6.394   5.884  1.00  0.00      A       
ATOM    450  CB  ASP A  36      -4.497  -5.610   7.033  1.00  0.00      A       
ATOM    451  CG  ASP A  36      -6.011  -5.697   7.026  1.00  0.00      A       
ATOM    452  HN  ASP A  36      -5.677  -6.398   4.795  1.00  0.00      A       
ATOM    453  HA  ASP A  36      -2.915  -5.934   5.640  1.00  0.00      A       
ATOM    454  HB2 ASP A  36      -4.138  -6.004   7.972  1.00  0.00      A       
ATOM    455  HB1 ASP A  36      -4.214  -4.571   6.952  1.00  0.00      A       
ATOM    456  N   ASP A  36      -4.705  -6.316   4.699  1.00  0.00      A       
ATOM    457  O   ASP A  36      -2.757  -8.059   7.197  1.00  0.00      A       
ATOM    458  OD1 ASP A  36      -6.541  -6.807   6.807  1.00  0.00      A       
ATOM    459  OD2 ASP A  36      -6.666  -4.656   7.239  1.00  0.00      A       
ATOM    460  C   ASP A  37      -2.624 -10.564   5.923  1.00  0.00      A       
ATOM    461  CA  ASP A  37      -4.088 -10.197   6.106  1.00  0.00      A       
ATOM    462  CB  ASP A  37      -4.968 -11.112   5.252  1.00  0.00      A       
ATOM    463  CG  ASP A  37      -4.938 -12.552   5.726  1.00  0.00      A       
ATOM    464  HN  ASP A  37      -4.953  -8.594   5.042  1.00  0.00      A       
ATOM    465  HA  ASP A  37      -4.354 -10.314   7.146  1.00  0.00      A       
ATOM    466  HB2 ASP A  37      -5.988 -10.760   5.293  1.00  0.00      A       
ATOM    467  HB1 ASP A  37      -4.622 -11.081   4.230  1.00  0.00      A       
ATOM    468  N   ASP A  37      -4.296  -8.800   5.739  1.00  0.00      A       
ATOM    469  O   ASP A  37      -2.025 -11.238   6.762  1.00  0.00      A       
ATOM    470  OD1 ASP A  37      -5.474 -12.828   6.819  1.00  0.00      A       
ATOM    471  OD2 ASP A  37      -4.377 -13.403   5.004  1.00  0.00      A       
ATOM    472  C   MET A  38       0.014  -9.034   4.084  1.00  0.00      A       
ATOM    473  CA  MET A  38      -0.655 -10.338   4.509  1.00  0.00      A       
ATOM    474  CB  MET A  38      -0.530 -11.391   3.406  1.00  0.00      A       
ATOM    475  CE  MET A  38       0.263 -14.749   2.431  1.00  0.00      A       
ATOM    476  CG  MET A  38      -1.080 -12.752   3.802  1.00  0.00      A       
ATOM    477  HN  MET A  38      -2.590  -9.553   4.205  1.00  0.00      A       
ATOM    478  HA  MET A  38      -0.173 -10.702   5.405  1.00  0.00      A       
ATOM    479  HB2 MET A  38      -1.068 -11.048   2.535  1.00  0.00      A       
ATOM    480  HB1 MET A  38       0.513 -11.508   3.153  1.00  0.00      A       
ATOM    481  HE1 MET A  38      -0.148 -15.745   2.494  1.00  0.00      A       
ATOM    482  HE2 MET A  38       1.286 -14.802   2.088  1.00  0.00      A       
ATOM    483  HE3 MET A  38      -0.319 -14.162   1.737  1.00  0.00      A       
ATOM    484  HG2 MET A  38      -1.636 -12.647   4.721  1.00  0.00      A       
ATOM    485  HG1 MET A  38      -1.741 -13.098   3.021  1.00  0.00      A       
ATOM    486  N   MET A  38      -2.054 -10.093   4.822  1.00  0.00      A       
ATOM    487  O   MET A  38       0.453  -8.251   4.927  1.00  0.00      A       
ATOM    488  SD  MET A  38       0.216 -13.981   4.048  1.00  0.00      A       
ATOM    489  C   GLN A  39       0.011  -7.228   0.894  1.00  0.00      A       
ATOM    490  CA  GLN A  39       0.626  -7.553   2.251  1.00  0.00      A       
ATOM    491  CB  GLN A  39       2.145  -7.683   2.122  1.00  0.00      A       
ATOM    492  CD  GLN A  39       3.551  -6.090   0.755  1.00  0.00      A       
ATOM    493  CG  GLN A  39       2.869  -6.347   2.085  1.00  0.00      A       
ATOM    494  HN  GLN A  39      -0.354  -9.419   2.152  1.00  0.00      A       
ATOM    495  HA  GLN A  39       0.395  -6.755   2.941  1.00  0.00      A       
ATOM    496  HB2 GLN A  39       2.520  -8.248   2.963  1.00  0.00      A       
ATOM    497  HB1 GLN A  39       2.373  -8.216   1.211  1.00  0.00      A       
ATOM    498 HE21 GLN A  39       2.963  -4.192   0.794  1.00  0.00      A       
ATOM    499 HE22 GLN A  39       3.888  -4.663  -0.587  1.00  0.00      A       
ATOM    500  HG2 GLN A  39       2.153  -5.558   2.263  1.00  0.00      A       
ATOM    501  HG1 GLN A  39       3.617  -6.335   2.865  1.00  0.00      A       
ATOM    502  N   GLN A  39       0.053  -8.785   2.779  1.00  0.00      A       
ATOM    503  NE2 GLN A  39       3.458  -4.857   0.272  1.00  0.00      A       
ATOM    504  O   GLN A  39       0.586  -7.562  -0.143  1.00  0.00      A       
ATOM    505  OE1 GLN A  39       4.154  -6.989   0.169  1.00  0.00      A       
ATOM    506  C   HIS A  40      -2.801  -5.137  -0.296  1.00  0.00      A       
ATOM    507  CA  HIS A  40      -1.814  -6.293  -0.387  1.00  0.00      A       
ATOM    508  CB  HIS A  40      -2.521  -7.535  -0.932  1.00  0.00      A       
ATOM    509  CD2 HIS A  40      -1.319  -8.317  -3.094  1.00  0.00      A       
ATOM    510  CE1 HIS A  40      -2.801  -7.623  -4.553  1.00  0.00      A       
ATOM    511  CG  HIS A  40      -2.329  -7.736  -2.403  1.00  0.00      A       
ATOM    512  HN  HIS A  40      -1.603  -6.385   1.746  1.00  0.00      A       
ATOM    513  HA  HIS A  40      -1.036  -6.017  -1.082  1.00  0.00      A       
ATOM    514  HB2 HIS A  40      -2.140  -8.409  -0.425  1.00  0.00      A       
ATOM    515  HB1 HIS A  40      -3.581  -7.450  -0.743  1.00  0.00      A       
ATOM    516  HD1 HIS A  40      -4.085  -6.850  -3.160  1.00  0.00      A       
ATOM    517  HD2 HIS A  40      -0.429  -8.764  -2.674  1.00  0.00      A       
ATOM    518  HE1 HIS A  40      -3.307  -7.413  -5.484  1.00  0.00      A       
ATOM    519  HE2 HIS A  40      -1.052  -8.492  -5.169  1.00  0.00      A       
ATOM    520  N   HIS A  40      -1.166  -6.603   0.888  1.00  0.00      A       
ATOM    521  ND1 HIS A  40      -3.241  -7.311  -3.347  1.00  0.00      A       
ATOM    522  NE2 HIS A  40      -1.637  -8.233  -4.427  1.00  0.00      A       
ATOM    523  O   HIS A  40      -2.904  -4.461   0.726  1.00  0.00      A       
ATOM    524  C   CYS A  41      -5.352  -4.095  -2.769  1.00  0.00      A       
ATOM    525  CA  CYS A  41      -4.504  -3.865  -1.523  1.00  0.00      A       
ATOM    526  CB  CYS A  41      -3.824  -2.499  -1.597  1.00  0.00      A       
ATOM    527  HN  CYS A  41      -3.354  -5.506  -2.176  1.00  0.00      A       
ATOM    528  HA  CYS A  41      -5.141  -3.900  -0.654  1.00  0.00      A       
ATOM    529  HB2 CYS A  41      -4.581  -1.731  -1.659  1.00  0.00      A       
ATOM    530  HB1 CYS A  41      -3.239  -2.348  -0.701  1.00  0.00      A       
ATOM    531  N   CYS A  41      -3.510  -4.924  -1.404  1.00  0.00      A       
ATOM    532  O   CYS A  41      -4.902  -4.729  -3.724  1.00  0.00      A       
ATOM    533  SG  CYS A  41      -2.715  -2.301  -3.026  1.00  0.00      A       
ATOM    534  C   CYS A  42      -8.230  -2.469  -4.207  1.00  0.00      A       
ATOM    535  CA  CYS A  42      -7.478  -3.760  -3.895  1.00  0.00      A       
ATOM    536  CB  CYS A  42      -8.469  -4.890  -3.620  1.00  0.00      A       
ATOM    537  HN  CYS A  42      -6.891  -3.097  -1.971  1.00  0.00      A       
ATOM    538  HA  CYS A  42      -6.877  -4.025  -4.752  1.00  0.00      A       
ATOM    539  HB2 CYS A  42      -9.016  -4.669  -2.715  1.00  0.00      A       
ATOM    540  HB1 CYS A  42      -9.161  -4.962  -4.446  1.00  0.00      A       
ATOM    541  N   CYS A  42      -6.580  -3.589  -2.759  1.00  0.00      A       
ATOM    542  O   CYS A  42      -8.464  -1.649  -3.323  1.00  0.00      A       
ATOM    543  SG  CYS A  42      -7.685  -6.520  -3.409  1.00  0.00      A       
ATOM    544  C   PRO A  43     -10.618  -0.819  -5.147  1.00  0.00      A       
ATOM    545  CA  PRO A  43      -9.326  -1.066  -5.919  1.00  0.00      A       
ATOM    546  CB  PRO A  43      -9.633  -1.349  -7.391  1.00  0.00      A       
ATOM    547  CD  PRO A  43      -8.355  -3.190  -6.605  1.00  0.00      A       
ATOM    548  CG  PRO A  43      -8.585  -2.318  -7.804  1.00  0.00      A       
ATOM    549  HA  PRO A  43      -8.699  -0.190  -5.847  1.00  0.00      A       
ATOM    550  HB2 PRO A  43     -10.623  -1.771  -7.483  1.00  0.00      A       
ATOM    551  HB1 PRO A  43      -9.569  -0.433  -7.959  1.00  0.00      A       
ATOM    552  HD2 PRO A  43      -9.053  -4.015  -6.596  1.00  0.00      A       
ATOM    553  HD1 PRO A  43      -7.337  -3.551  -6.587  1.00  0.00      A       
ATOM    554  HG2 PRO A  43      -8.932  -2.907  -8.640  1.00  0.00      A       
ATOM    555  HG1 PRO A  43      -7.680  -1.789  -8.060  1.00  0.00      A       
ATOM    556  N   PRO A  43      -8.609  -2.270  -5.481  1.00  0.00      A       
ATOM    557  O   PRO A  43     -11.396  -1.744  -4.884  1.00  0.00      A       
ATOM    558  C   ALA A  44     -13.261   0.180  -4.565  1.00  0.00      A       
ATOM    559  CA  ALA A  44     -12.005   0.864  -4.043  1.00  0.00      A       
ATOM    560  CB  ALA A  44     -12.161   2.373  -4.122  1.00  0.00      A       
ATOM    561  HN  ALA A  44     -10.148   1.113  -5.024  1.00  0.00      A       
ATOM    562  HA  ALA A  44     -11.862   0.593  -3.007  1.00  0.00      A       
ATOM    563  HB1 ALA A  44     -12.906   2.620  -4.864  1.00  0.00      A       
ATOM    564  HB2 ALA A  44     -11.216   2.818  -4.399  1.00  0.00      A       
ATOM    565  HB3 ALA A  44     -12.470   2.754  -3.160  1.00  0.00      A       
ATOM    566  N   ALA A  44     -10.824   0.444  -4.786  1.00  0.00      A       
ATOM    567  O   ALA A  44     -13.677   0.405  -5.702  1.00  0.00      A       
ATOM    568  C   GLY A  45     -14.934  -2.855  -4.055  1.00  0.00      A       
ATOM    569  CA  GLY A  45     -15.071  -1.347  -4.119  1.00  0.00      A       
ATOM    570  HN  GLY A  45     -13.490  -0.783  -2.829  1.00  0.00      A       
ATOM    571  HA2 GLY A  45     -15.876  -1.044  -3.466  1.00  0.00      A       
ATOM    572  HA1 GLY A  45     -15.320  -1.063  -5.131  1.00  0.00      A       
ATOM    573  N   GLY A  45     -13.865  -0.650  -3.725  1.00  0.00      A       
ATOM    574  O   GLY A  45     -15.932  -3.571  -4.144  1.00  0.00      A       
ATOM    575  C   TYR A  46     -13.146  -5.225  -2.400  1.00  0.00      A       
ATOM    576  CA  TYR A  46     -13.483  -4.791  -3.824  1.00  0.00      A       
ATOM    577  CB  TYR A  46     -12.359  -5.211  -4.774  1.00  0.00      A       
ATOM    578  CD1 TYR A  46     -11.708  -4.293  -7.033  1.00  0.00      A       
ATOM    579  CD2 TYR A  46     -13.864  -5.282  -6.803  1.00  0.00      A       
ATOM    580  CE1 TYR A  46     -11.967  -4.028  -8.365  1.00  0.00      A       
ATOM    581  CE2 TYR A  46     -14.130  -5.021  -8.133  1.00  0.00      A       
ATOM    582  CG  TYR A  46     -12.650  -4.922  -6.231  1.00  0.00      A       
ATOM    583  CZ  TYR A  46     -13.179  -4.395  -8.910  1.00  0.00      A       
ATOM    584  HN  TYR A  46     -12.934  -2.743  -3.827  1.00  0.00      A       
ATOM    585  HA  TYR A  46     -14.396  -5.281  -4.127  1.00  0.00      A       
ATOM    586  HB2 TYR A  46     -11.455  -4.684  -4.506  1.00  0.00      A       
ATOM    587  HB1 TYR A  46     -12.192  -6.273  -4.673  1.00  0.00      A       
ATOM    588  HD1 TYR A  46     -10.759  -4.007  -6.603  1.00  0.00      A       
ATOM    589  HD2 TYR A  46     -14.608  -5.772  -6.192  1.00  0.00      A       
ATOM    590  HE1 TYR A  46     -11.221  -3.538  -8.972  1.00  0.00      A       
ATOM    591  HE2 TYR A  46     -15.080  -5.308  -8.560  1.00  0.00      A       
ATOM    592  HH  TYR A  46     -12.619  -4.151 -10.732  1.00  0.00      A       
ATOM    593  N   TYR A  46     -13.706  -3.350  -3.899  1.00  0.00      A       
ATOM    594  O   TYR A  46     -12.860  -4.395  -1.537  1.00  0.00      A       
ATOM    595  OH  TYR A  46     -13.440  -4.133 -10.235  1.00  0.00      A       
ATOM    596  C   LYS A  47     -11.868  -8.231  -0.975  1.00  0.00      A       
ATOM    597  CA  LYS A  47     -12.877  -7.093  -0.853  1.00  0.00      A       
ATOM    598  CB  LYS A  47     -14.157  -7.599  -0.184  1.00  0.00      A       
ATOM    599  CD  LYS A  47     -14.492  -9.549   1.369  1.00  0.00      A       
ATOM    600  CE  LYS A  47     -16.002  -9.538   1.547  1.00  0.00      A       
ATOM    601  CG  LYS A  47     -13.939  -8.140   1.220  1.00  0.00      A       
ATOM    602  HN  LYS A  47     -13.411  -7.143  -2.899  1.00  0.00      A       
ATOM    603  HA  LYS A  47     -12.448  -6.308  -0.248  1.00  0.00      A       
ATOM    604  HB2 LYS A  47     -14.865  -6.786  -0.127  1.00  0.00      A       
ATOM    605  HB1 LYS A  47     -14.577  -8.389  -0.789  1.00  0.00      A       
ATOM    606  HD2 LYS A  47     -14.248 -10.117   0.484  1.00  0.00      A       
ATOM    607  HD1 LYS A  47     -14.039 -10.013   2.233  1.00  0.00      A       
ATOM    608  HE2 LYS A  47     -16.239  -9.023   2.466  1.00  0.00      A       
ATOM    609  HE1 LYS A  47     -16.446  -9.013   0.715  1.00  0.00      A       
ATOM    610  HG2 LYS A  47     -12.879  -8.157   1.428  1.00  0.00      A       
ATOM    611  HG1 LYS A  47     -14.436  -7.491   1.927  1.00  0.00      A       
ATOM    612  HZ1 LYS A  47     -15.820 -11.614   1.401  1.00  0.00      A       
ATOM    613  HZ2 LYS A  47     -17.325 -11.022   0.907  1.00  0.00      A       
ATOM    614  HZ3 LYS A  47     -16.949 -11.104   2.554  1.00  0.00      A       
ATOM    615  N   LYS A  47     -13.180  -6.534  -2.167  1.00  0.00      A       
ATOM    616  NZ  LYS A  47     -16.563 -10.916   1.606  1.00  0.00      A       
ATOM    617  O   LYS A  47     -11.794  -8.895  -2.006  1.00  0.00      A       
ATOM    618  C   CYS A  48     -10.702 -10.850   0.473  1.00  0.00      A       
ATOM    619  CA  CYS A  48     -10.087  -9.510   0.080  1.00  0.00      A       
ATOM    620  CB  CYS A  48      -8.948  -9.161   1.039  1.00  0.00      A       
ATOM    621  HN  CYS A  48     -11.194  -7.888   0.876  1.00  0.00      A       
ATOM    622  HA  CYS A  48      -9.690  -9.590  -0.921  1.00  0.00      A       
ATOM    623  HB2 CYS A  48      -9.332  -8.532   1.828  1.00  0.00      A       
ATOM    624  HB1 CYS A  48      -8.558 -10.072   1.469  1.00  0.00      A       
ATOM    625  N   CYS A  48     -11.091  -8.451   0.081  1.00  0.00      A       
ATOM    626  O   CYS A  48     -11.314 -10.976   1.533  1.00  0.00      A       
ATOM    627  SG  CYS A  48      -7.560  -8.279   0.256  1.00  0.00      A       
ATOM    628  C   GLY A  49     -10.003 -14.188   0.205  1.00  0.00      A       
ATOM    629  CA  GLY A  49     -11.080 -13.167  -0.119  1.00  0.00      A       
ATOM    630  HN  GLY A  49     -10.039 -11.690  -1.222  1.00  0.00      A       
ATOM    631  HA2 GLY A  49     -11.759 -13.097   0.718  1.00  0.00      A       
ATOM    632  HA1 GLY A  49     -11.629 -13.502  -0.986  1.00  0.00      A       
ATOM    633  N   GLY A  49     -10.535 -11.849  -0.391  1.00  0.00      A       
ATOM    634  O   GLY A  49      -8.814 -13.898   0.076  1.00  0.00      A       
ATOM    635  C   PRO A  50      -8.793 -17.091  -0.245  1.00  0.00      A       
ATOM    636  CA  PRO A  50      -9.445 -16.467   0.984  1.00  0.00      A       
ATOM    637  CB  PRO A  50     -10.309 -17.511   1.712  1.00  0.00      A       
ATOM    638  CD  PRO A  50     -11.780 -15.838   0.828  1.00  0.00      A       
ATOM    639  CG  PRO A  50     -11.649 -16.875   1.904  1.00  0.00      A       
ATOM    640  HA  PRO A  50      -8.676 -16.106   1.652  1.00  0.00      A       
ATOM    641  HB2 PRO A  50     -10.383 -18.401   1.105  1.00  0.00      A       
ATOM    642  HB1 PRO A  50      -9.853 -17.756   2.659  1.00  0.00      A       
ATOM    643  HD2 PRO A  50     -12.178 -16.277  -0.075  1.00  0.00      A       
ATOM    644  HD1 PRO A  50     -12.400 -15.020   1.161  1.00  0.00      A       
ATOM    645  HG2 PRO A  50     -12.425 -17.618   1.804  1.00  0.00      A       
ATOM    646  HG1 PRO A  50     -11.697 -16.411   2.879  1.00  0.00      A       
ATOM    647  N   PRO A  50     -10.393 -15.403   0.637  1.00  0.00      A       
ATOM    648  O   PRO A  50      -7.905 -17.936  -0.126  1.00  0.00      A       
ATOM    649  C   GLY A  51      -7.437 -16.475  -3.098  1.00  0.00      A       
ATOM    650  CA  GLY A  51      -8.687 -17.207  -2.657  1.00  0.00      A       
ATOM    651  HN  GLY A  51      -9.950 -16.000  -1.460  1.00  0.00      A       
ATOM    652  HA2 GLY A  51      -8.445 -18.248  -2.508  1.00  0.00      A       
ATOM    653  HA1 GLY A  51      -9.431 -17.129  -3.436  1.00  0.00      A       
ATOM    654  N   GLY A  51      -9.240 -16.674  -1.425  1.00  0.00      A       
ATOM    655  O   GLY A  51      -6.997 -16.615  -4.240  1.00  0.00      A       
ATOM    656  C   GLY A  52      -5.941 -13.726  -3.368  1.00  0.00      A       
ATOM    657  CA  GLY A  52      -5.661 -14.942  -2.506  1.00  0.00      A       
ATOM    658  HN  GLY A  52      -7.263 -15.621  -1.299  1.00  0.00      A       
ATOM    659  HA2 GLY A  52      -5.201 -14.618  -1.584  1.00  0.00      A       
ATOM    660  HA1 GLY A  52      -4.974 -15.590  -3.030  1.00  0.00      A       
ATOM    661  N   GLY A  52      -6.864 -15.692  -2.191  1.00  0.00      A       
ATOM    662  O   GLY A  52      -5.107 -12.827  -3.474  1.00  0.00      A       
ATOM    663  C   THR A  53      -8.635 -11.778  -4.199  1.00  0.00      A       
ATOM    664  CA  THR A  53      -7.512 -12.586  -4.839  1.00  0.00      A       
ATOM    665  CB  THR A  53      -7.971 -13.076  -6.225  1.00  0.00      A       
ATOM    666  CG2 THR A  53      -6.808 -13.681  -6.997  1.00  0.00      A       
ATOM    667  HN  THR A  53      -7.741 -14.444  -3.858  1.00  0.00      A       
ATOM    668  HA  THR A  53      -6.651 -11.946  -4.972  1.00  0.00      A       
ATOM    669  HB  THR A  53      -8.353 -12.232  -6.781  1.00  0.00      A       
ATOM    670  HG1 THR A  53      -9.512 -13.869  -5.280  1.00  0.00      A       
ATOM    671 HG21 THR A  53      -6.768 -13.249  -7.985  1.00  0.00      A       
ATOM    672 HG22 THR A  53      -6.946 -14.750  -7.076  1.00  0.00      A       
ATOM    673 HG23 THR A  53      -5.885 -13.475  -6.476  1.00  0.00      A       
ATOM    674  N   THR A  53      -7.120 -13.698  -3.984  1.00  0.00      A       
ATOM    675  O   THR A  53      -9.062 -12.070  -3.082  1.00  0.00      A       
ATOM    676  OG1 THR A  53      -9.013 -14.050  -6.080  1.00  0.00      A       
ATOM    677  C   CYS A  54     -11.477 -10.137  -5.162  1.00  0.00      A       
ATOM    678  CA  CYS A  54     -10.176  -9.909  -4.400  1.00  0.00      A       
ATOM    679  CB  CYS A  54      -9.770  -8.438  -4.485  1.00  0.00      A       
ATOM    680  HN  CYS A  54      -8.723 -10.569  -5.791  1.00  0.00      A       
ATOM    681  HA  CYS A  54     -10.334 -10.166  -3.364  1.00  0.00      A       
ATOM    682  HB2 CYS A  54      -8.955  -8.336  -5.186  1.00  0.00      A       
ATOM    683  HB1 CYS A  54     -10.612  -7.858  -4.833  1.00  0.00      A       
ATOM    684  N   CYS A  54      -9.106 -10.758  -4.909  1.00  0.00      A       
ATOM    685  O   CYS A  54     -11.469 -10.470  -6.347  1.00  0.00      A       
ATOM    686  SG  CYS A  54      -9.225  -7.730  -2.897  1.00  0.00      A       
ATOM    687  C   ILE A  55     -14.703  -8.829  -5.031  1.00  0.00      A       
ATOM    688  CA  ILE A  55     -13.914 -10.135  -5.052  1.00  0.00      A       
ATOM    689  CB  ILE A  55     -14.714 -11.214  -4.297  1.00  0.00      A       
ATOM    690  CD1 ILE A  55     -15.845 -11.682  -2.061  1.00  0.00      A       
ATOM    691  CG1 ILE A  55     -14.839 -10.841  -2.817  1.00  0.00      A       
ATOM    692  CG2 ILE A  55     -14.048 -12.573  -4.453  1.00  0.00      A       
ATOM    693  HN  ILE A  55     -12.526  -9.690  -3.525  1.00  0.00      A       
ATOM    694  HA  ILE A  55     -13.787 -10.455  -6.076  1.00  0.00      A       
ATOM    695  HB  ILE A  55     -15.701 -11.271  -4.732  1.00  0.00      A       
ATOM    696 HD11 ILE A  55     -16.267 -11.099  -1.255  1.00  0.00      A       
ATOM    697 HD12 ILE A  55     -15.353 -12.554  -1.655  1.00  0.00      A       
ATOM    698 HD13 ILE A  55     -16.632 -11.992  -2.732  1.00  0.00      A       
ATOM    699 HG12 ILE A  55     -13.879 -10.965  -2.339  1.00  0.00      A       
ATOM    700 HG11 ILE A  55     -15.144  -9.808  -2.739  1.00  0.00      A       
ATOM    701 HG21 ILE A  55     -14.795 -13.314  -4.697  1.00  0.00      A       
ATOM    702 HG22 ILE A  55     -13.562 -12.843  -3.528  1.00  0.00      A       
ATOM    703 HG23 ILE A  55     -13.316 -12.526  -5.245  1.00  0.00      A       
ATOM    704  N   ILE A  55     -12.594  -9.954  -4.464  1.00  0.00      A       
ATOM    705  O   ILE A  55     -14.181  -7.786  -4.638  1.00  0.00      A       
ATOM    706  C   SER A  56     -18.221  -8.056  -4.974  1.00  0.00      A       
ATOM    707  CA  SER A  56     -16.821  -7.716  -5.475  1.00  0.00      A       
ATOM    708  CB  SER A  56     -16.897  -7.138  -6.889  1.00  0.00      A       
ATOM    709  HN  SER A  56     -16.324  -9.754  -5.752  1.00  0.00      A       
ATOM    710  HA  SER A  56     -16.387  -6.978  -4.817  1.00  0.00      A       
ATOM    711  HB2 SER A  56     -16.996  -6.064  -6.832  1.00  0.00      A       
ATOM    712  HB1 SER A  56     -15.994  -7.387  -7.427  1.00  0.00      A       
ATOM    713  HG  SER A  56     -18.572  -6.939  -7.887  1.00  0.00      A       
ATOM    714  N   SER A  56     -15.962  -8.894  -5.452  1.00  0.00      A       
ATOM    715  OT1 SER A  56     -18.497  -9.255  -4.761  1.00  0.00      A       
ATOM    716  OT2 SER A  56     -19.030  -7.120  -4.798  1.00  0.00      A       
ATOM    717  OG  SER A  56     -18.009  -7.660  -7.596  1.00  0.00      A       
END


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