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
370004 1bku 4219 cing 3-converted-DOCR XPLOR/CNS coordinate ensemble


ATOM      1  C   CYS A   1      16.564  -4.017   3.657  1.00  0.00      A       
ATOM      2  CA  CYS A   1      15.127  -3.757   3.207  1.00  0.00      A       
ATOM      3  CB  CYS A   1      15.075  -3.156   1.797  1.00  0.00      A       
ATOM      4  HT1 CYS A   1      14.435  -3.317   5.079  1.00  0.00      A       
ATOM      5  HT2 CYS A   1      14.886  -1.991   4.208  1.00  0.00      A       
ATOM      6  HT3 CYS A   1      13.467  -2.760   3.864  1.00  0.00      A       
ATOM      7  HA  CYS A   1      14.586  -4.701   3.192  1.00  0.00      A       
ATOM      8  HB2 CYS A   1      14.030  -3.088   1.494  1.00  0.00      A       
ATOM      9  HB1 CYS A   1      15.477  -2.143   1.834  1.00  0.00      A       
ATOM     10  N   CYS A   1      14.423  -2.888   4.165  1.00  0.00      A       
ATOM     11  O   CYS A   1      17.353  -3.082   3.776  1.00  0.00      A       
ATOM     12  SG  CYS A   1      15.975  -4.039   0.487  1.00  0.00      A       
ATOM     13  C   SER A   2      18.960  -6.385   3.244  1.00  0.00      A       
ATOM     14  CA  SER A   2      18.180  -5.748   4.392  1.00  0.00      A       
ATOM     15  CB  SER A   2      17.980  -6.739   5.546  1.00  0.00      A       
ATOM     16  HN  SER A   2      16.183  -6.001   3.753  1.00  0.00      A       
ATOM     17  HA  SER A   2      18.757  -4.907   4.780  1.00  0.00      A       
ATOM     18  HB2 SER A   2      17.393  -7.598   5.217  1.00  0.00      A       
ATOM     19  HB1 SER A   2      18.952  -7.087   5.897  1.00  0.00      A       
ATOM     20  HG  SER A   2      16.443  -5.836   6.321  1.00  0.00      A       
ATOM     21  N   SER A   2      16.885  -5.293   3.909  1.00  0.00      A       
ATOM     22  O   SER A   2      20.052  -5.925   2.915  1.00  0.00      A       
ATOM     23  OG  SER A   2      17.312  -6.113   6.620  1.00  0.00      A       
ATOM     24  C   ASN A   3      17.966  -8.622   0.555  1.00  0.00      A       
ATOM     25  CA  ASN A   3      19.023  -8.221   1.583  1.00  0.00      A       
ATOM     26  CB  ASN A   3      19.731  -9.454   2.163  1.00  0.00      A       
ATOM     27  CG  ASN A   3      20.897  -9.073   3.075  1.00  0.00      A       
ATOM     28  HN  ASN A   3      17.495  -7.759   2.974  1.00  0.00      A       
ATOM     29  HA  ASN A   3      19.768  -7.612   1.067  1.00  0.00      A       
ATOM     30  HB2 ASN A   3      19.020 -10.064   2.723  1.00  0.00      A       
ATOM     31  HB1 ASN A   3      20.123 -10.051   1.339  1.00  0.00      A       
ATOM     32 HD21 ASN A   3      19.719  -9.198   4.733  1.00  0.00      A       
ATOM     33 HD22 ASN A   3      21.387  -8.759   5.027  1.00  0.00      A       
ATOM     34  N   ASN A   3      18.399  -7.449   2.650  1.00  0.00      A       
ATOM     35  ND2 ASN A   3      20.648  -9.007   4.385  1.00  0.00      A       
ATOM     36  O   ASN A   3      18.066  -8.234  -0.608  1.00  0.00      A       
ATOM     37  OD1 ASN A   3      22.007  -8.846   2.600  1.00  0.00      A       
ATOM     38  C   LEU A   4      14.618 -10.202   0.929  1.00  0.00      A       
ATOM     39  CA  LEU A   4      15.880  -9.872   0.128  1.00  0.00      A       
ATOM     40  CB  LEU A   4      16.333 -11.040  -0.768  1.00  0.00      A       
ATOM     41  CD1 LEU A   4      16.850 -13.448  -1.168  1.00  0.00      A       
ATOM     42  CD2 LEU A   4      17.743 -12.390   0.902  1.00  0.00      A       
ATOM     43  CG  LEU A   4      16.567 -12.401  -0.084  1.00  0.00      A       
ATOM     44  HN  LEU A   4      16.942  -9.667   1.957  1.00  0.00      A       
ATOM     45  HA  LEU A   4      15.611  -9.054  -0.539  1.00  0.00      A       
ATOM     46  HB2 LEU A   4      15.550 -11.181  -1.514  1.00  0.00      A       
ATOM     47  HB1 LEU A   4      17.241 -10.751  -1.298  1.00  0.00      A       
ATOM     48 HD11 LEU A   4      16.013 -13.499  -1.864  1.00  0.00      A       
ATOM     49 HD12 LEU A   4      17.755 -13.184  -1.716  1.00  0.00      A       
ATOM     50 HD13 LEU A   4      16.983 -14.429  -0.711  1.00  0.00      A       
ATOM     51 HD21 LEU A   4      18.631 -11.982   0.419  1.00  0.00      A       
ATOM     52 HD22 LEU A   4      17.501 -11.799   1.782  1.00  0.00      A       
ATOM     53 HD23 LEU A   4      17.954 -13.408   1.231  1.00  0.00      A       
ATOM     54  HG  LEU A   4      15.665 -12.715   0.442  1.00  0.00      A       
ATOM     55  N   LEU A   4      16.960  -9.396   0.984  1.00  0.00      A       
ATOM     56  O   LEU A   4      13.514  -9.912   0.476  1.00  0.00      A       
ATOM     57  C   SER A   5      12.888  -9.988   3.442  1.00  0.00      A       
ATOM     58  CA  SER A   5      13.668 -11.215   2.964  1.00  0.00      A       
ATOM     59  CB  SER A   5      14.192 -12.065   4.129  1.00  0.00      A       
ATOM     60  HN  SER A   5      15.710 -11.004   2.435  1.00  0.00      A       
ATOM     61  HA  SER A   5      12.994 -11.842   2.378  1.00  0.00      A       
ATOM     62  HB2 SER A   5      13.366 -12.321   4.794  1.00  0.00      A       
ATOM     63  HB1 SER A   5      14.623 -12.986   3.735  1.00  0.00      A       
ATOM     64  HG  SER A   5      15.929 -11.200   4.286  1.00  0.00      A       
ATOM     65  N   SER A   5      14.775 -10.807   2.113  1.00  0.00      A       
ATOM     66  O   SER A   5      11.723  -9.823   3.089  1.00  0.00      A       
ATOM     67  OG  SER A   5      15.187 -11.384   4.866  1.00  0.00      A       
ATOM     68  C   THR A   6      12.525  -6.955   3.598  1.00  0.00      A       
ATOM     69  CA  THR A   6      12.995  -7.876   4.731  1.00  0.00      A       
ATOM     70  CB  THR A   6      14.050  -7.192   5.613  1.00  0.00      A       
ATOM     71  CG2 THR A   6      13.503  -5.945   6.316  1.00  0.00      A       
ATOM     72  HN  THR A   6      14.505  -9.337   4.465  1.00  0.00      A       
ATOM     73  HA  THR A   6      12.136  -8.123   5.357  1.00  0.00      A       
ATOM     74  HB  THR A   6      14.897  -6.905   4.992  1.00  0.00      A       
ATOM     75  HG1 THR A   6      13.768  -8.365   7.137  1.00  0.00      A       
ATOM     76 HG21 THR A   6      12.626  -6.208   6.909  1.00  0.00      A       
ATOM     77 HG22 THR A   6      14.268  -5.534   6.975  1.00  0.00      A       
ATOM     78 HG23 THR A   6      13.229  -5.184   5.587  1.00  0.00      A       
ATOM     79  N   THR A   6      13.550  -9.119   4.214  1.00  0.00      A       
ATOM     80  O   THR A   6      11.569  -6.205   3.780  1.00  0.00      A       
ATOM     81  OG1 THR A   6      14.513  -8.098   6.593  1.00  0.00      A       
ATOM     82  C   CYS A   7      11.492  -6.576   0.708  1.00  0.00      A       
ATOM     83  CA  CYS A   7      12.861  -6.193   1.275  1.00  0.00      A       
ATOM     84  CB  CYS A   7      13.961  -6.331   0.216  1.00  0.00      A       
ATOM     85  HN  CYS A   7      13.957  -7.659   2.343  1.00  0.00      A       
ATOM     86  HA  CYS A   7      12.823  -5.149   1.587  1.00  0.00      A       
ATOM     87  HB2 CYS A   7      13.939  -7.345  -0.178  1.00  0.00      A       
ATOM     88  HB1 CYS A   7      13.753  -5.645  -0.606  1.00  0.00      A       
ATOM     89  N   CYS A   7      13.187  -7.012   2.434  1.00  0.00      A       
ATOM     90  O   CYS A   7      10.639  -5.709   0.529  1.00  0.00      A       
ATOM     91  SG  CYS A   7      15.645  -6.025   0.819  1.00  0.00      A       
ATOM     92  C   VAL A   8       8.901  -8.230   0.907  1.00  0.00      A       
ATOM     93  CA  VAL A   8      10.037  -8.398  -0.105  1.00  0.00      A       
ATOM     94  CB  VAL A   8      10.230  -9.864  -0.537  1.00  0.00      A       
ATOM     95  CG1 VAL A   8       8.895 -10.542  -0.875  1.00  0.00      A       
ATOM     96  CG2 VAL A   8      11.130  -9.930  -1.779  1.00  0.00      A       
ATOM     97  HN  VAL A   8      12.028  -8.532   0.616  1.00  0.00      A       
ATOM     98  HA  VAL A   8       9.777  -7.821  -0.994  1.00  0.00      A       
ATOM     99  HB  VAL A   8      10.701 -10.421   0.275  1.00  0.00      A       
ATOM    100 HG11 VAL A   8       8.352  -9.953  -1.614  1.00  0.00      A       
ATOM    101 HG12 VAL A   8       9.082 -11.537  -1.281  1.00  0.00      A       
ATOM    102 HG13 VAL A   8       8.285 -10.651   0.021  1.00  0.00      A       
ATOM    103 HG21 VAL A   8      12.076  -9.419  -1.603  1.00  0.00      A       
ATOM    104 HG22 VAL A   8      11.337 -10.971  -2.027  1.00  0.00      A       
ATOM    105 HG23 VAL A   8      10.631  -9.456  -2.625  1.00  0.00      A       
ATOM    106  N   VAL A   8      11.284  -7.871   0.436  1.00  0.00      A       
ATOM    107  O   VAL A   8       7.832  -7.746   0.544  1.00  0.00      A       
ATOM    108  C   LEU A   9       7.741  -6.983   3.391  1.00  0.00      A       
ATOM    109  CA  LEU A   9       8.153  -8.451   3.242  1.00  0.00      A       
ATOM    110  CB  LEU A   9       8.726  -8.990   4.561  1.00  0.00      A       
ATOM    111  CD1 LEU A   9       9.779 -10.914   5.771  1.00  0.00      A       
ATOM    112  CD2 LEU A   9       7.572 -11.259   4.653  1.00  0.00      A       
ATOM    113  CG  LEU A   9       8.914 -10.518   4.569  1.00  0.00      A       
ATOM    114  HN  LEU A   9      10.031  -9.000   2.410  1.00  0.00      A       
ATOM    115  HA  LEU A   9       7.258  -9.016   2.982  1.00  0.00      A       
ATOM    116  HB2 LEU A   9       9.689  -8.508   4.733  1.00  0.00      A       
ATOM    117  HB1 LEU A   9       8.060  -8.717   5.380  1.00  0.00      A       
ATOM    118 HD11 LEU A   9      10.751 -10.423   5.710  1.00  0.00      A       
ATOM    119 HD12 LEU A   9       9.288 -10.618   6.698  1.00  0.00      A       
ATOM    120 HD13 LEU A   9       9.933 -11.994   5.776  1.00  0.00      A       
ATOM    121 HD21 LEU A   9       7.015 -10.929   5.531  1.00  0.00      A       
ATOM    122 HD22 LEU A   9       6.976 -11.078   3.760  1.00  0.00      A       
ATOM    123 HD23 LEU A   9       7.752 -12.331   4.731  1.00  0.00      A       
ATOM    124  HG  LEU A   9       9.425 -10.838   3.662  1.00  0.00      A       
ATOM    125  N   LEU A   9       9.129  -8.610   2.171  1.00  0.00      A       
ATOM    126  O   LEU A   9       6.553  -6.691   3.510  1.00  0.00      A       
ATOM    127  C   GLY A  10       7.656  -4.120   2.263  1.00  0.00      A       
ATOM    128  CA  GLY A  10       8.499  -4.632   3.432  1.00  0.00      A       
ATOM    129  HN  GLY A  10       9.672  -6.383   3.254  1.00  0.00      A       
ATOM    130  HA2 GLY A  10       8.007  -4.391   4.375  1.00  0.00      A       
ATOM    131  HA1 GLY A  10       9.467  -4.132   3.407  1.00  0.00      A       
ATOM    132  N   GLY A  10       8.717  -6.068   3.357  1.00  0.00      A       
ATOM    133  O   GLY A  10       6.745  -3.321   2.469  1.00  0.00      A       
ATOM    134  C   LYS A  11       5.782  -4.612  -0.102  1.00  0.00      A       
ATOM    135  CA  LYS A  11       7.255  -4.203  -0.175  1.00  0.00      A       
ATOM    136  CB  LYS A  11       7.961  -4.834  -1.383  1.00  0.00      A       
ATOM    137  CD  LYS A  11       8.100  -4.927  -3.922  1.00  0.00      A       
ATOM    138  CE  LYS A  11       8.150  -6.456  -4.011  1.00  0.00      A       
ATOM    139  CG  LYS A  11       7.301  -4.435  -2.709  1.00  0.00      A       
ATOM    140  HN  LYS A  11       8.725  -5.237   0.949  1.00  0.00      A       
ATOM    141  HA  LYS A  11       7.314  -3.118  -0.278  1.00  0.00      A       
ATOM    142  HB2 LYS A  11       8.999  -4.500  -1.394  1.00  0.00      A       
ATOM    143  HB1 LYS A  11       7.941  -5.917  -1.280  1.00  0.00      A       
ATOM    144  HD2 LYS A  11       7.620  -4.541  -4.822  1.00  0.00      A       
ATOM    145  HD1 LYS A  11       9.116  -4.531  -3.874  1.00  0.00      A       
ATOM    146  HE2 LYS A  11       8.718  -6.863  -3.175  1.00  0.00      A       
ATOM    147  HE1 LYS A  11       7.137  -6.857  -3.985  1.00  0.00      A       
ATOM    148  HG2 LYS A  11       6.290  -4.842  -2.762  1.00  0.00      A       
ATOM    149  HG1 LYS A  11       7.241  -3.347  -2.757  1.00  0.00      A       
ATOM    150  HZ1 LYS A  11       8.283  -6.545  -6.049  1.00  0.00      A       
ATOM    151  HZ2 LYS A  11       9.745  -6.542  -5.287  1.00  0.00      A       
ATOM    152  HZ3 LYS A  11       8.819  -7.906  -5.288  1.00  0.00      A       
ATOM    153  N   LYS A  11       7.960  -4.582   1.043  1.00  0.00      A       
ATOM    154  NZ  LYS A  11       8.800  -6.897  -5.257  1.00  0.00      A       
ATOM    155  O   LYS A  11       4.905  -3.789  -0.353  1.00  0.00      A       
ATOM    156  C   LEU A  12       3.385  -5.701   1.468  1.00  0.00      A       
ATOM    157  CA  LEU A  12       4.171  -6.425   0.374  1.00  0.00      A       
ATOM    158  CB  LEU A  12       4.247  -7.928   0.679  1.00  0.00      A       
ATOM    159  CD1 LEU A  12       5.177 -10.161   0.036  1.00  0.00      A       
ATOM    160  CD2 LEU A  12       3.877  -8.864  -1.661  1.00  0.00      A       
ATOM    161  CG  LEU A  12       4.842  -8.755  -0.473  1.00  0.00      A       
ATOM    162  HN  LEU A  12       6.290  -6.497   0.444  1.00  0.00      A       
ATOM    163  HA  LEU A  12       3.642  -6.275  -0.567  1.00  0.00      A       
ATOM    164  HB2 LEU A  12       4.864  -8.063   1.569  1.00  0.00      A       
ATOM    165  HB1 LEU A  12       3.246  -8.302   0.899  1.00  0.00      A       
ATOM    166 HD11 LEU A  12       5.892 -10.098   0.856  1.00  0.00      A       
ATOM    167 HD12 LEU A  12       4.271 -10.656   0.388  1.00  0.00      A       
ATOM    168 HD13 LEU A  12       5.618 -10.751  -0.769  1.00  0.00      A       
ATOM    169 HD21 LEU A  12       2.925  -9.284  -1.334  1.00  0.00      A       
ATOM    170 HD22 LEU A  12       3.703  -7.885  -2.106  1.00  0.00      A       
ATOM    171 HD23 LEU A  12       4.308  -9.514  -2.423  1.00  0.00      A       
ATOM    172  HG  LEU A  12       5.763  -8.291  -0.820  1.00  0.00      A       
ATOM    173  N   LEU A  12       5.516  -5.878   0.246  1.00  0.00      A       
ATOM    174  O   LEU A  12       2.217  -5.375   1.268  1.00  0.00      A       
ATOM    175  C   SER A  13       3.032  -3.304   3.322  1.00  0.00      A       
ATOM    176  CA  SER A  13       3.432  -4.724   3.732  1.00  0.00      A       
ATOM    177  CB  SER A  13       4.405  -4.709   4.915  1.00  0.00      A       
ATOM    178  HN  SER A  13       4.986  -5.753   2.709  1.00  0.00      A       
ATOM    179  HA  SER A  13       2.535  -5.262   4.045  1.00  0.00      A       
ATOM    180  HB2 SER A  13       4.647  -5.732   5.201  1.00  0.00      A       
ATOM    181  HB1 SER A  13       5.323  -4.187   4.642  1.00  0.00      A       
ATOM    182  HG  SER A  13       3.623  -3.153   5.782  1.00  0.00      A       
ATOM    183  N   SER A  13       4.028  -5.444   2.614  1.00  0.00      A       
ATOM    184  O   SER A  13       1.947  -2.849   3.677  1.00  0.00      A       
ATOM    185  OG  SER A  13       3.819  -4.061   6.024  1.00  0.00      A       
ATOM    186  C   GLN A  14       2.513  -1.249   1.064  1.00  0.00      A       
ATOM    187  CA  GLN A  14       3.652  -1.263   2.087  1.00  0.00      A       
ATOM    188  CB  GLN A  14       4.948  -0.676   1.508  1.00  0.00      A       
ATOM    189  CD  GLN A  14       4.186   1.709   1.999  1.00  0.00      A       
ATOM    190  CG  GLN A  14       4.773   0.750   0.964  1.00  0.00      A       
ATOM    191  HN  GLN A  14       4.779  -3.044   2.320  1.00  0.00      A       
ATOM    192  HA  GLN A  14       3.357  -0.655   2.943  1.00  0.00      A       
ATOM    193  HB2 GLN A  14       5.707  -0.664   2.291  1.00  0.00      A       
ATOM    194  HB1 GLN A  14       5.304  -1.312   0.697  1.00  0.00      A       
ATOM    195 HE21 GLN A  14       5.827   1.519   3.191  1.00  0.00      A       
ATOM    196 HE22 GLN A  14       4.577   2.585   3.796  1.00  0.00      A       
ATOM    197  HG2 GLN A  14       5.749   1.125   0.652  1.00  0.00      A       
ATOM    198  HG1 GLN A  14       4.127   0.727   0.086  1.00  0.00      A       
ATOM    199  N   GLN A  14       3.902  -2.611   2.575  1.00  0.00      A       
ATOM    200  NE2 GLN A  14       4.924   1.959   3.084  1.00  0.00      A       
ATOM    201  O   GLN A  14       1.691  -0.338   1.084  1.00  0.00      A       
ATOM    202  OE1 GLN A  14       3.081   2.218   1.820  1.00  0.00      A       
ATOM    203  C   GLU A  15       0.050  -2.569  -0.118  1.00  0.00      A       
ATOM    204  CA  GLU A  15       1.404  -2.396  -0.816  1.00  0.00      A       
ATOM    205  CB  GLU A  15       1.743  -3.573  -1.746  1.00  0.00      A       
ATOM    206  CD  GLU A  15      -0.537  -3.745  -2.904  1.00  0.00      A       
ATOM    207  CG  GLU A  15       0.969  -3.555  -3.071  1.00  0.00      A       
ATOM    208  HN  GLU A  15       3.169  -2.972   0.212  1.00  0.00      A       
ATOM    209  HA  GLU A  15       1.384  -1.483  -1.414  1.00  0.00      A       
ATOM    210  HB2 GLU A  15       2.800  -3.506  -2.007  1.00  0.00      A       
ATOM    211  HB1 GLU A  15       1.583  -4.521  -1.232  1.00  0.00      A       
ATOM    212  HG2 GLU A  15       1.165  -2.612  -3.583  1.00  0.00      A       
ATOM    213  HG1 GLU A  15       1.343  -4.365  -3.698  1.00  0.00      A       
ATOM    214  N   GLU A  15       2.457  -2.255   0.181  1.00  0.00      A       
ATOM    215  O   GLU A  15      -0.909  -1.872  -0.443  1.00  0.00      A       
ATOM    216  OE1 GLU A  15      -0.922  -4.740  -2.251  1.00  0.00      A       
ATOM    217  OE2 GLU A  15      -1.277  -2.891  -3.437  1.00  0.00      A       
ATOM    218  C   LEU A  16      -1.642  -2.465   2.387  1.00  0.00      A       
ATOM    219  CA  LEU A  16      -1.192  -3.741   1.671  1.00  0.00      A       
ATOM    220  CB  LEU A  16      -0.874  -4.889   2.643  1.00  0.00      A       
ATOM    221  CD1 LEU A  16      -1.908  -6.873   3.772  1.00  0.00      A       
ATOM    222  CD2 LEU A  16      -2.286  -4.623   4.759  1.00  0.00      A       
ATOM    223  CG  LEU A  16      -2.091  -5.387   3.441  1.00  0.00      A       
ATOM    224  HN  LEU A  16       0.812  -4.023   1.073  1.00  0.00      A       
ATOM    225  HA  LEU A  16      -1.991  -4.070   1.005  1.00  0.00      A       
ATOM    226  HB2 LEU A  16      -0.508  -5.717   2.034  1.00  0.00      A       
ATOM    227  HB1 LEU A  16      -0.076  -4.600   3.327  1.00  0.00      A       
ATOM    228 HD11 LEU A  16      -1.002  -7.015   4.362  1.00  0.00      A       
ATOM    229 HD12 LEU A  16      -2.766  -7.235   4.341  1.00  0.00      A       
ATOM    230 HD13 LEU A  16      -1.833  -7.454   2.852  1.00  0.00      A       
ATOM    231 HD21 LEU A  16      -1.386  -4.696   5.370  1.00  0.00      A       
ATOM    232 HD22 LEU A  16      -2.509  -3.574   4.581  1.00  0.00      A       
ATOM    233 HD23 LEU A  16      -3.121  -5.056   5.310  1.00  0.00      A       
ATOM    234  HG  LEU A  16      -2.986  -5.286   2.826  1.00  0.00      A       
ATOM    235  N   LEU A  16      -0.014  -3.483   0.858  1.00  0.00      A       
ATOM    236  O   LEU A  16      -2.824  -2.133   2.356  1.00  0.00      A       
ATOM    237  C   HIS A  17      -1.512   0.575   2.779  1.00  0.00      A       
ATOM    238  CA  HIS A  17      -0.958  -0.501   3.717  1.00  0.00      A       
ATOM    239  CB  HIS A  17       0.326  -0.021   4.403  1.00  0.00      A       
ATOM    240  CD2 HIS A  17       0.774   2.521   4.925  1.00  0.00      A       
ATOM    241  CE1 HIS A  17      -0.684   2.794   6.479  1.00  0.00      A       
ATOM    242  CG  HIS A  17       0.162   1.304   5.102  1.00  0.00      A       
ATOM    243  HN  HIS A  17       0.255  -2.080   2.993  1.00  0.00      A       
ATOM    244  HA  HIS A  17      -1.701  -0.698   4.493  1.00  0.00      A       
ATOM    245  HB2 HIS A  17       0.640  -0.764   5.136  1.00  0.00      A       
ATOM    246  HB1 HIS A  17       1.114   0.084   3.658  1.00  0.00      A       
ATOM    247  HD1 HIS A  17      -1.410   0.817   6.479  1.00  0.00      A       
ATOM    248  HD2 HIS A  17       1.550   2.720   4.201  1.00  0.00      A       
ATOM    249  HE1 HIS A  17      -1.300   3.237   7.247  1.00  0.00      A       
ATOM    250  N   HIS A  17      -0.699  -1.748   3.012  1.00  0.00      A       
ATOM    251  ND1 HIS A  17      -0.774   1.507   6.105  1.00  0.00      A       
ATOM    252  NE2 HIS A  17       0.244   3.469   5.796  1.00  0.00      A       
ATOM    253  O   HIS A  17      -2.432   1.296   3.157  1.00  0.00      A       
ATOM    254  C   LYS A  18      -2.870   1.438   0.220  1.00  0.00      A       
ATOM    255  CA  LYS A  18      -1.391   1.642   0.556  1.00  0.00      A       
ATOM    256  CB  LYS A  18      -0.480   1.538  -0.677  1.00  0.00      A       
ATOM    257  CD  LYS A  18      -1.828   1.968  -2.843  1.00  0.00      A       
ATOM    258  CE  LYS A  18      -1.139   1.247  -4.010  1.00  0.00      A       
ATOM    259  CG  LYS A  18      -0.846   2.526  -1.797  1.00  0.00      A       
ATOM    260  HN  LYS A  18      -0.205   0.058   1.316  1.00  0.00      A       
ATOM    261  HA  LYS A  18      -1.270   2.643   0.974  1.00  0.00      A       
ATOM    262  HB2 LYS A  18       0.535   1.769  -0.351  1.00  0.00      A       
ATOM    263  HB1 LYS A  18      -0.488   0.520  -1.055  1.00  0.00      A       
ATOM    264  HD2 LYS A  18      -2.553   1.298  -2.386  1.00  0.00      A       
ATOM    265  HD1 LYS A  18      -2.372   2.813  -3.268  1.00  0.00      A       
ATOM    266  HE2 LYS A  18      -1.899   0.958  -4.736  1.00  0.00      A       
ATOM    267  HE1 LYS A  18      -0.435   1.924  -4.495  1.00  0.00      A       
ATOM    268  HG2 LYS A  18      -1.279   3.418  -1.343  1.00  0.00      A       
ATOM    269  HG1 LYS A  18       0.066   2.829  -2.312  1.00  0.00      A       
ATOM    270  HZ1 LYS A  18      -1.064  -0.603  -3.133  1.00  0.00      A       
ATOM    271  HZ2 LYS A  18      -0.026  -0.421  -4.399  1.00  0.00      A       
ATOM    272  HZ3 LYS A  18       0.318   0.280  -2.949  1.00  0.00      A       
ATOM    273  N   LYS A  18      -0.958   0.683   1.564  1.00  0.00      A       
ATOM    274  NZ  LYS A  18      -0.423   0.032  -3.588  1.00  0.00      A       
ATOM    275  O   LYS A  18      -3.614   2.414   0.145  1.00  0.00      A       
ATOM    276  C   LEU A  19      -5.516   0.180   1.065  1.00  0.00      A       
ATOM    277  CA  LEU A  19      -4.697  -0.153  -0.183  1.00  0.00      A       
ATOM    278  CB  LEU A  19      -4.853  -1.633  -0.572  1.00  0.00      A       
ATOM    279  CD1 LEU A  19      -4.243  -3.544  -2.055  1.00  0.00      A       
ATOM    280  CD2 LEU A  19      -4.719  -1.325  -3.104  1.00  0.00      A       
ATOM    281  CG  LEU A  19      -4.133  -2.026  -1.872  1.00  0.00      A       
ATOM    282  HN  LEU A  19      -2.636  -0.582   0.117  1.00  0.00      A       
ATOM    283  HA  LEU A  19      -5.078   0.464  -0.996  1.00  0.00      A       
ATOM    284  HB2 LEU A  19      -4.455  -2.254   0.230  1.00  0.00      A       
ATOM    285  HB1 LEU A  19      -5.915  -1.856  -0.679  1.00  0.00      A       
ATOM    286 HD11 LEU A  19      -5.292  -3.840  -2.095  1.00  0.00      A       
ATOM    287 HD12 LEU A  19      -3.756  -3.847  -2.982  1.00  0.00      A       
ATOM    288 HD13 LEU A  19      -3.759  -4.053  -1.221  1.00  0.00      A       
ATOM    289 HD21 LEU A  19      -5.790  -1.517  -3.168  1.00  0.00      A       
ATOM    290 HD22 LEU A  19      -4.541  -0.252  -3.050  1.00  0.00      A       
ATOM    291 HD23 LEU A  19      -4.235  -1.704  -4.004  1.00  0.00      A       
ATOM    292  HG  LEU A  19      -3.080  -1.764  -1.793  1.00  0.00      A       
ATOM    293  N   LEU A  19      -3.298   0.179   0.046  1.00  0.00      A       
ATOM    294  O   LEU A  19      -6.324   1.102   1.022  1.00  0.00      A       
ATOM    295  C   GLN A  20      -7.517  -0.689   3.315  1.00  0.00      A       
ATOM    296  CA  GLN A  20      -5.992  -0.541   3.437  1.00  0.00      A       
ATOM    297  CB  GLN A  20      -5.515   0.592   4.369  1.00  0.00      A       
ATOM    298  CD  GLN A  20      -5.090   3.029   4.882  1.00  0.00      A       
ATOM    299  CG  GLN A  20      -5.586   2.032   3.837  1.00  0.00      A       
ATOM    300  HN  GLN A  20      -4.567  -1.271   2.073  1.00  0.00      A       
ATOM    301  HA  GLN A  20      -5.667  -1.453   3.942  1.00  0.00      A       
ATOM    302  HB2 GLN A  20      -6.099   0.538   5.288  1.00  0.00      A       
ATOM    303  HB1 GLN A  20      -4.476   0.383   4.627  1.00  0.00      A       
ATOM    304 HE21 GLN A  20      -3.154   2.467   4.585  1.00  0.00      A       
ATOM    305 HE22 GLN A  20      -3.398   3.720   5.783  1.00  0.00      A       
ATOM    306  HG2 GLN A  20      -4.968   2.140   2.946  1.00  0.00      A       
ATOM    307  HG1 GLN A  20      -6.612   2.297   3.592  1.00  0.00      A       
ATOM    308  N   GLN A  20      -5.287  -0.568   2.156  1.00  0.00      A       
ATOM    309  NE2 GLN A  20      -3.773   3.076   5.102  1.00  0.00      A       
ATOM    310  O   GLN A  20      -8.054  -1.738   3.666  1.00  0.00      A       
ATOM    311  OE1 GLN A  20      -5.886   3.749   5.481  1.00  0.00      A       
ATOM    312  C   THR A  21      -9.837   0.308   1.026  1.00  0.00      A       
ATOM    313  CA  THR A  21      -9.634   0.363   2.542  1.00  0.00      A       
ATOM    314  CB  THR A  21     -10.250   1.633   3.150  1.00  0.00      A       
ATOM    315  CG2 THR A  21     -11.762   1.701   2.907  1.00  0.00      A       
ATOM    316  HN  THR A  21      -7.681   1.148   2.506  1.00  0.00      A       
ATOM    317  HA  THR A  21     -10.122  -0.502   2.993  1.00  0.00      A       
ATOM    318  HB  THR A  21      -9.782   2.516   2.714  1.00  0.00      A       
ATOM    319  HG1 THR A  21     -10.413   0.870   4.932  1.00  0.00      A       
ATOM    320 HG21 THR A  21     -12.246   0.815   3.320  1.00  0.00      A       
ATOM    321 HG22 THR A  21     -12.168   2.588   3.395  1.00  0.00      A       
ATOM    322 HG23 THR A  21     -11.976   1.762   1.840  1.00  0.00      A       
ATOM    323  N   THR A  21      -8.205   0.345   2.819  1.00  0.00      A       
ATOM    324  O   THR A  21     -10.593  -0.529   0.536  1.00  0.00      A       
ATOM    325  OG1 THR A  21     -10.011   1.650   4.543  1.00  0.00      A       
ATOM    326  C   TYR A  22     -10.647   1.570  -1.635  1.00  0.00      A       
ATOM    327  CA  TYR A  22      -9.210   1.343  -1.147  1.00  0.00      A       
ATOM    328  CB  TYR A  22      -8.519   0.148  -1.825  1.00  0.00      A       
ATOM    329  CD1 TYR A  22      -7.079   1.120  -3.664  1.00  0.00      A       
ATOM    330  CD2 TYR A  22      -9.054  -0.155  -4.292  1.00  0.00      A       
ATOM    331  CE1 TYR A  22      -6.789   1.340  -5.021  1.00  0.00      A       
ATOM    332  CE2 TYR A  22      -8.788   0.101  -5.648  1.00  0.00      A       
ATOM    333  CG  TYR A  22      -8.211   0.371  -3.294  1.00  0.00      A       
ATOM    334  CZ  TYR A  22      -7.660   0.856  -6.013  1.00  0.00      A       
ATOM    335  HN  TYR A  22      -8.532   1.837   0.784  1.00  0.00      A       
ATOM    336  HA  TYR A  22      -8.623   2.221  -1.409  1.00  0.00      A       
ATOM    337  HB2 TYR A  22      -7.571  -0.028  -1.316  1.00  0.00      A       
ATOM    338  HB1 TYR A  22      -9.121  -0.753  -1.707  1.00  0.00      A       
ATOM    339  HD1 TYR A  22      -6.429   1.532  -2.906  1.00  0.00      A       
ATOM    340  HD2 TYR A  22      -9.912  -0.754  -4.025  1.00  0.00      A       
ATOM    341  HE1 TYR A  22      -5.912   1.907  -5.298  1.00  0.00      A       
ATOM    342  HE2 TYR A  22      -9.451  -0.284  -6.409  1.00  0.00      A       
ATOM    343  HH  TYR A  22      -6.629   1.657  -7.468  1.00  0.00      A       
ATOM    344  N   TYR A  22      -9.155   1.204   0.300  1.00  0.00      A       
ATOM    345  O   TYR A  22     -11.232   0.680  -2.250  1.00  0.00      A       
ATOM    346  OH  TYR A  22      -7.413   1.121  -7.329  1.00  0.00      A       
ATOM    347  C   PRO A  23     -12.336   3.634  -3.358  1.00  0.00      A       
ATOM    348  CA  PRO A  23     -12.524   3.149  -1.915  1.00  0.00      A       
ATOM    349  CB  PRO A  23     -12.997   4.256  -0.968  1.00  0.00      A       
ATOM    350  CD  PRO A  23     -10.681   3.813  -0.547  1.00  0.00      A       
ATOM    351  CG  PRO A  23     -11.692   4.961  -0.596  1.00  0.00      A       
ATOM    352  HA  PRO A  23     -13.237   2.323  -1.893  1.00  0.00      A       
ATOM    353  HB2 PRO A  23     -13.731   4.930  -1.410  1.00  0.00      A       
ATOM    354  HB1 PRO A  23     -13.415   3.798  -0.070  1.00  0.00      A       
ATOM    355  HD2 PRO A  23      -9.713   4.151  -0.910  1.00  0.00      A       
ATOM    356  HD1 PRO A  23     -10.597   3.459   0.480  1.00  0.00      A       
ATOM    357  HG2 PRO A  23     -11.415   5.662  -1.384  1.00  0.00      A       
ATOM    358  HG1 PRO A  23     -11.765   5.484   0.358  1.00  0.00      A       
ATOM    359  N   PRO A  23     -11.227   2.757  -1.386  1.00  0.00      A       
ATOM    360  O   PRO A  23     -12.553   4.806  -3.660  1.00  0.00      A       
ATOM    361  C   ARG A  24     -10.315   4.081  -5.507  1.00  0.00      A       
ATOM    362  CA  ARG A  24     -11.415   3.019  -5.580  1.00  0.00      A       
ATOM    363  CB  ARG A  24     -12.577   3.411  -6.509  1.00  0.00      A       
ATOM    364  CD  ARG A  24     -13.246   0.991  -6.982  1.00  0.00      A       
ATOM    365  CG  ARG A  24     -13.716   2.381  -6.537  1.00  0.00      A       
ATOM    366  CZ  ARG A  24     -15.198   0.000  -8.195  1.00  0.00      A       
ATOM    367  HN  ARG A  24     -11.754   1.776  -3.905  1.00  0.00      A       
ATOM    368  HA  ARG A  24     -10.952   2.117  -5.979  1.00  0.00      A       
ATOM    369  HB2 ARG A  24     -12.999   4.367  -6.196  1.00  0.00      A       
ATOM    370  HB1 ARG A  24     -12.189   3.527  -7.521  1.00  0.00      A       
ATOM    371  HD2 ARG A  24     -12.694   1.066  -7.920  1.00  0.00      A       
ATOM    372  HD1 ARG A  24     -12.585   0.571  -6.225  1.00  0.00      A       
ATOM    373  HE  ARG A  24     -14.537  -0.575  -6.368  1.00  0.00      A       
ATOM    374  HG2 ARG A  24     -14.177   2.307  -5.551  1.00  0.00      A       
ATOM    375  HG1 ARG A  24     -14.471   2.743  -7.236  1.00  0.00      A       
ATOM    376 HH11 ARG A  24     -14.307   1.510  -9.251  1.00  0.00      A       
ATOM    377 HH12 ARG A  24     -15.675   0.754 -10.033  1.00  0.00      A       
ATOM    378 HH21 ARG A  24     -16.313  -1.525  -7.419  1.00  0.00      A       
ATOM    379 HH22 ARG A  24     -16.813  -0.960  -8.997  1.00  0.00      A       
ATOM    380  N   ARG A  24     -11.888   2.722  -4.235  1.00  0.00      A       
ATOM    381  NE  ARG A  24     -14.376   0.065  -7.133  1.00  0.00      A       
ATOM    382  NH1 ARG A  24     -15.046   0.821  -9.246  1.00  0.00      A       
ATOM    383  NH2 ARG A  24     -16.189  -0.902  -8.205  1.00  0.00      A       
ATOM    384  O   ARG A  24     -10.502   5.204  -5.972  1.00  0.00      A       
ATOM    385  C   THR A  25      -8.380   5.447  -3.341  1.00  0.00      A       
ATOM    386  CA  THR A  25      -8.053   4.562  -4.545  1.00  0.00      A       
ATOM    387  CB  THR A  25      -7.531   5.354  -5.759  1.00  0.00      A       
ATOM    388  CG2 THR A  25      -6.191   6.030  -5.446  1.00  0.00      A       
ATOM    389  HN  THR A  25      -9.146   2.759  -4.536  1.00  0.00      A       
ATOM    390  HA  THR A  25      -7.252   3.891  -4.242  1.00  0.00      A       
ATOM    391  HB  THR A  25      -8.235   6.133  -6.047  1.00  0.00      A       
ATOM    392  HG1 THR A  25      -7.040   4.983  -7.604  1.00  0.00      A       
ATOM    393 HG21 THR A  25      -5.461   5.286  -5.125  1.00  0.00      A       
ATOM    394 HG22 THR A  25      -5.819   6.529  -6.341  1.00  0.00      A       
ATOM    395 HG23 THR A  25      -6.316   6.775  -4.661  1.00  0.00      A       
ATOM    396  N   THR A  25      -9.191   3.709  -4.877  1.00  0.00      A       
ATOM    397  O   THR A  25      -9.471   6.007  -3.248  1.00  0.00      A       
ATOM    398  OG1 THR A  25      -7.348   4.475  -6.850  1.00  0.00      A       
ATOM    399  C   ASP A  26      -7.273   7.763  -1.385  1.00  0.00      A       
ATOM    400  CA  ASP A  26      -7.553   6.276  -1.155  1.00  0.00      A       
ATOM    401  CB  ASP A  26      -6.607   5.660  -0.112  1.00  0.00      A       
ATOM    402  CG  ASP A  26      -6.872   4.168   0.089  1.00  0.00      A       
ATOM    403  HN  ASP A  26      -6.552   5.058  -2.563  1.00  0.00      A       
ATOM    404  HA  ASP A  26      -8.571   6.179  -0.777  1.00  0.00      A       
ATOM    405  HB2 ASP A  26      -5.572   5.786  -0.437  1.00  0.00      A       
ATOM    406  HB1 ASP A  26      -6.736   6.177   0.840  1.00  0.00      A       
ATOM    407  N   ASP A  26      -7.421   5.549  -2.410  1.00  0.00      A       
ATOM    408  O   ASP A  26      -6.285   8.303  -0.889  1.00  0.00      A       
ATOM    409  OD1 ASP A  26      -6.313   3.382  -0.707  1.00  0.00      A       
ATOM    410  OD2 ASP A  26      -7.632   3.840   1.027  1.00  0.00      A       
ATOM    411  C   VAL A  27      -8.443  10.661  -1.230  1.00  0.00      A       
ATOM    412  CA  VAL A  27      -8.068   9.837  -2.463  1.00  0.00      A       
ATOM    413  CB  VAL A  27      -8.968  10.163  -3.670  1.00  0.00      A       
ATOM    414  CG1 VAL A  27      -8.893  11.654  -4.022  1.00  0.00      A       
ATOM    415  CG2 VAL A  27      -8.551   9.346  -4.901  1.00  0.00      A       
ATOM    416  HN  VAL A  27      -8.947   7.908  -2.514  1.00  0.00      A       
ATOM    417  HA  VAL A  27      -7.037  10.069  -2.739  1.00  0.00      A       
ATOM    418  HB  VAL A  27     -10.004   9.916  -3.430  1.00  0.00      A       
ATOM    419 HG11 VAL A  27      -7.861  11.936  -4.236  1.00  0.00      A       
ATOM    420 HG12 VAL A  27      -9.506  11.857  -4.901  1.00  0.00      A       
ATOM    421 HG13 VAL A  27      -9.265  12.260  -3.197  1.00  0.00      A       
ATOM    422 HG21 VAL A  27      -7.506   9.543  -5.145  1.00  0.00      A       
ATOM    423 HG22 VAL A  27      -8.679   8.280  -4.715  1.00  0.00      A       
ATOM    424 HG23 VAL A  27      -9.173   9.621  -5.753  1.00  0.00      A       
ATOM    425  N   VAL A  27      -8.160   8.421  -2.141  1.00  0.00      A       
ATOM    426  O   VAL A  27      -7.665  11.510  -0.797  1.00  0.00      A       
ATOM    427  C   GLY A  28     -10.813  12.427   0.045  1.00  0.00      A       
ATOM    428  CA  GLY A  28     -10.161  11.118   0.481  1.00  0.00      A       
ATOM    429  HN  GLY A  28     -10.221   9.696  -1.086  1.00  0.00      A       
ATOM    430  HA2 GLY A  28     -10.908  10.486   0.963  1.00  0.00      A       
ATOM    431  HA1 GLY A  28      -9.366  11.320   1.201  1.00  0.00      A       
ATOM    432  N   GLY A  28      -9.636  10.409  -0.675  1.00  0.00      A       
ATOM    433  O   GLY A  28     -12.035  12.559   0.102  1.00  0.00      A       
ATOM    434  C   ALA A  29     -10.819  14.563  -2.376  1.00  0.00      A       
ATOM    435  CA  ALA A  29     -10.431  14.679  -0.899  1.00  0.00      A       
ATOM    436  CB  ALA A  29      -9.319  15.710  -0.673  1.00  0.00      A       
ATOM    437  HN  ALA A  29      -8.998  13.191  -0.425  1.00  0.00      A       
ATOM    438  HA  ALA A  29     -11.304  15.013  -0.337  1.00  0.00      A       
ATOM    439  HB1 ALA A  29      -9.098  15.779   0.393  1.00  0.00      A       
ATOM    440  HB2 ALA A  29      -8.414  15.413  -1.204  1.00  0.00      A       
ATOM    441  HB3 ALA A  29      -9.642  16.688  -1.029  1.00  0.00      A       
ATOM    442  N   ALA A  29      -9.989  13.385  -0.400  1.00  0.00      A       
ATOM    443  O   ALA A  29     -10.182  15.160  -3.243  1.00  0.00      A       
ATOM    444  C   GLY A  30     -13.149  14.902  -4.420  1.00  0.00      A       
ATOM    445  CA  GLY A  30     -12.430  13.627  -3.990  1.00  0.00      A       
ATOM    446  HN  GLY A  30     -12.351  13.327  -1.892  1.00  0.00      A       
ATOM    447  HA2 GLY A  30     -11.631  13.389  -4.694  1.00  0.00      A       
ATOM    448  HA1 GLY A  30     -13.141  12.801  -3.978  1.00  0.00      A       
ATOM    449  N   GLY A  30     -11.880  13.795  -2.654  1.00  0.00      A       
ATOM    450  O   GLY A  30     -12.779  15.513  -5.422  1.00  0.00      A       
ATOM    451  C   THR A  31     -14.984  17.233  -2.452  1.00  0.00      A       
ATOM    452  CA  THR A  31     -14.915  16.534  -3.817  1.00  0.00      A       
ATOM    453  CB  THR A  31     -16.304  16.211  -4.397  1.00  0.00      A       
ATOM    454  CG2 THR A  31     -17.092  17.485  -4.722  1.00  0.00      A       
ATOM    455  HN  THR A  31     -14.401  14.731  -2.841  1.00  0.00      A       
ATOM    456  HA  THR A  31     -14.420  17.187  -4.534  1.00  0.00      A       
ATOM    457  HB  THR A  31     -16.872  15.604  -3.690  1.00  0.00      A       
ATOM    458  HG1 THR A  31     -17.027  15.253  -5.928  1.00  0.00      A       
ATOM    459 HG21 THR A  31     -16.535  18.094  -5.435  1.00  0.00      A       
ATOM    460 HG22 THR A  31     -18.053  17.215  -5.162  1.00  0.00      A       
ATOM    461 HG23 THR A  31     -17.276  18.070  -3.822  1.00  0.00      A       
ATOM    462  N   THR A  31     -14.163  15.300  -3.641  1.00  0.00      A       
ATOM    463  O   THR A  31     -15.998  17.128  -1.763  1.00  0.00      A       
ATOM    464  OG1 THR A  31     -16.155  15.469  -5.590  1.00  0.00      A       
ATOM    465  C   PRO A  32     -14.717  19.798  -0.643  1.00  0.00      A       
ATOM    466  CA  PRO A  32     -13.831  18.551  -0.719  1.00  0.00      A       
ATOM    467  CB  PRO A  32     -12.349  18.874  -0.510  1.00  0.00      A       
ATOM    468  CD  PRO A  32     -12.656  18.085  -2.751  1.00  0.00      A       
ATOM    469  CG  PRO A  32     -11.819  19.066  -1.930  1.00  0.00      A       
ATOM    470  HA  PRO A  32     -14.144  17.846   0.054  1.00  0.00      A       
ATOM    471  HB2 PRO A  32     -12.190  19.754   0.116  1.00  0.00      A       
ATOM    472  HB1 PRO A  32     -11.855  18.009  -0.066  1.00  0.00      A       
ATOM    473  HD2 PRO A  32     -12.803  18.486  -3.754  1.00  0.00      A       
ATOM    474  HD1 PRO A  32     -12.141  17.126  -2.799  1.00  0.00      A       
ATOM    475  HG2 PRO A  32     -12.019  20.086  -2.259  1.00  0.00      A       
ATOM    476  HG1 PRO A  32     -10.751  18.857  -2.002  1.00  0.00      A       
ATOM    477  N   PRO A  32     -13.910  17.923  -2.030  1.00  0.00      A       
ATOM    478  O   PRO A  32     -15.424  19.990   0.345  1.00  0.00      A       
ATOM    479  HN1 NH2 A  33     -15.270  21.474  -1.660  1.00  0.00      A       
ATOM    480  HN2 NH2 A  33     -14.112  20.450  -2.478  1.00  0.00      A       
ATOM    481  N   NH2 A  33     -14.695  20.644  -1.677  1.00  0.00      A       
END


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