NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype
492183 2k4g cing 1-original 2 PDB coordinate initial


REMARK   1                     PDB file generated by ptraj (set     1)
ATOM      1 1HH3 ACE     1      20.726   5.473  -6.543  0.00  0.00
ATOM      2  CH3 ACE     1      21.337   4.617  -6.227  0.00  0.00
ATOM      3 2HH3 ACE     1      21.461   3.805  -6.956  0.00  0.00
ATOM      4 3HH3 ACE     1      22.296   5.129  -6.424  0.00  0.00
ATOM      5  C   ACE     1      21.216   4.281  -5.132  0.00  0.00
ATOM      6  O   ACE     1      22.092   4.288  -4.569  0.00  0.00
ATOM      7  N1' GPN     2      20.374   3.673  -4.864  0.00  0.00
ATOM      8  H1' GPN     2      20.483   3.160  -3.997  0.00  0.00
ATOM      9  C2' GPN     2      19.283   4.078  -5.157  0.00  0.00
ATOM     10 1H2' GPN     2      19.160   5.179  -5.223  0.00  0.00
ATOM     11 2H2' GPN     2      18.684   3.811  -4.257  0.00  0.00
ATOM     12  C3' GPN     2      19.147   3.498  -6.252  0.00  0.00
ATOM     13 1H3' GPN     2      19.738   2.634  -6.601  0.00  0.00
ATOM     14 2H3' GPN     2      19.390   4.098  -7.129  0.00  0.00
ATOM     15  N4' GPN     2      17.976   3.401  -6.191  0.00  0.00
ATOM     16  C7' GPN     2      17.662   2.287  -5.834  0.00  0.00
ATOM     17  O7' GPN     2      16.554   2.089  -6.164  0.00  0.00
ATOM     18  C8' GPN     2      18.666   1.366  -5.142  0.00  0.00
ATOM     19 1H8' GPN     2      19.397   0.940  -5.833  0.00  0.00
ATOM     20 2H8' GPN     2      19.171   1.778  -4.274  0.00  0.00
ATOM     21  N9  GPN     2      17.965   0.325  -4.649  0.00  0.00
ATOM     22  C8  GPN     2      17.766  -0.839  -5.237  0.00  0.00
ATOM     23  H8  GPN     2      18.198  -1.118  -6.192  0.00  0.00
ATOM     24  N7  GPN     2      17.054  -1.619  -4.519  0.00  0.00
ATOM     25  C5  GPN     2      16.738  -0.839  -3.438  0.00  0.00
ATOM     26  C6  GPN     2      15.994  -1.142  -2.305  0.00  0.00
ATOM     27  O6  GPN     2      15.467  -2.188  -2.014  0.00  0.00
ATOM     28  N1  GPN     2      15.880  -0.113  -1.447  0.00  0.00
ATOM     29  H1  GPN     2      15.330  -0.280  -0.628  0.00  0.00
ATOM     30  C2  GPN     2      16.421   1.091  -1.653  0.00  0.00
ATOM     31  N2  GPN     2      16.211   1.992  -0.765  0.00  0.00
ATOM     32  H21 GPN     2      16.637   2.886  -0.914  0.00  0.00
ATOM     33  H22 GPN     2      15.635   1.821   0.048  0.00  0.00
ATOM     34  N3  GPN     2      17.138   1.443  -2.695  0.00  0.00
ATOM     35  C4  GPN     2      17.252   0.403  -3.540  0.00  0.00
ATOM     36  C5' GPN     2      17.294   4.281  -7.028  0.00  0.00
ATOM     37 1H5' GPN     2      16.911   3.733  -7.894  0.00  0.00
ATOM     38 2H5' GPN     2      17.896   5.097  -7.443  0.00  0.00
ATOM     39  C'  GPN     2      16.281   4.930  -6.483  0.00  0.00
ATOM     40  O1' GPN     2      15.630   5.651  -7.149  0.00  0.00
ATOM     41  N1' GPN     3      16.170   4.779  -5.308  0.00  0.00
ATOM     42  H1' GPN     3      16.786   4.207  -4.746  0.00  0.00
ATOM     43  C2' GPN     3      15.394   5.707  -4.843  0.00  0.00
ATOM     44 1H2' GPN     3      15.937   6.209  -4.035  0.00  0.00
ATOM     45 2H2' GPN     3      14.920   6.524  -5.401  0.00  0.00
ATOM     46  C3' GPN     3      14.505   4.953  -4.319  0.00  0.00
ATOM     47 1H3' GPN     3      15.009   4.350  -3.574  0.00  0.00
ATOM     48 2H3' GPN     3      14.054   5.652  -3.616  0.00  0.00
ATOM     49  N4' GPN     3      13.352   4.453  -4.912  0.00  0.00
ATOM     50  C7' GPN     3      12.917   3.308  -4.401  0.00  0.00
ATOM     51  O7' GPN     3      11.761   2.964  -4.599  0.00  0.00
ATOM     52  C8' GPN     3      13.868   2.410  -3.591  0.00  0.00
ATOM     53 1H8' GPN     3      14.689   2.072  -4.223  0.00  0.00
ATOM     54 2H8' GPN     3      14.261   2.919  -2.715  0.00  0.00
ATOM     55  N9  GPN     3      13.174   1.268  -3.032  0.00  0.00
ATOM     56  C8  GPN     3      12.987   0.042  -3.586  0.00  0.00
ATOM     57  H8  GPN     3      13.375  -0.231  -4.560  0.00  0.00
ATOM     58  N7  GPN     3      12.301  -0.768  -2.835  0.00  0.00
ATOM     59  C5  GPN     3      12.016  -0.007  -1.704  0.00  0.00
ATOM     60  C6  GPN     3      11.287  -0.324  -0.518  0.00  0.00
ATOM     61  O6  GPN     3      10.731  -1.369  -0.198  0.00  0.00
ATOM     62  N1  GPN     3      11.207   0.715   0.370  0.00  0.00
ATOM     63  H1  GPN     3      10.661   0.532   1.198  0.00  0.00
ATOM     64  C2  GPN     3      11.760   1.935   0.160  0.00  0.00
ATOM     65  N2  GPN     3      11.565   2.851   1.069  0.00  0.00
ATOM     66  H21 GPN     3      11.986   3.747   0.895  0.00  0.00
ATOM     67  H22 GPN     3      10.972   2.698   1.879  0.00  0.00
ATOM     68  N3  GPN     3      12.459   2.277  -0.919  0.00  0.00
ATOM     69  C4  GPN     3      12.548   1.254  -1.820  0.00  0.00
ATOM     70  C5' GPN     3      12.495   5.310  -5.706  0.00  0.00
ATOM     71 1H5' GPN     3      11.745   4.716  -6.229  0.00  0.00
ATOM     72 2H5' GPN     3      13.096   5.785  -6.482  0.00  0.00
ATOM     73  C'  GPN     3      11.775   6.395  -4.957  0.00  0.00
ATOM     74  O1' GPN     3      11.349   7.293  -5.578  0.00  0.00
ATOM     75  N1' CPN     4      11.606   6.483  -3.680  0.00  0.00
ATOM     76  H1' CPN     4      11.981   5.744  -3.101  0.00  0.00
ATOM     77  C2' CPN     4      11.091   7.699  -3.036  0.00  0.00
ATOM     78 1H2' CPN     4      11.928   8.239  -2.589  0.00  0.00
ATOM     79 2H2' CPN     4      10.603   8.386  -3.728  0.00  0.00
ATOM     80  C3' CPN     4      10.122   7.349  -1.932  0.00  0.00
ATOM     81 1H3' CPN     4      10.628   6.722  -1.203  0.00  0.00
ATOM     82 2H3' CPN     4       9.854   8.273  -1.423  0.00  0.00
ATOM     83  N4' CPN     4       8.902   6.727  -2.444  0.00  0.00
ATOM     84  C7' CPN     4       8.609   5.419  -2.331  0.00  0.00
ATOM     85  O7' CPN     4       7.526   4.980  -2.717  0.00  0.00
ATOM     86  C8' CPN     4       9.619   4.459  -1.692  0.00  0.00
ATOM     87 1H8' CPN     4       9.909   4.835  -0.712  0.00  0.00
ATOM     88 2H8' CPN     4      10.511   4.413  -2.314  0.00  0.00
ATOM     89  N1  CPN     4       9.066   3.093  -1.539  0.00  0.00
ATOM     90  C6  CPN     4       9.251   2.163  -2.521  0.00  0.00
ATOM     91  H6  CPN     4       9.808   2.412  -3.412  0.00  0.00
ATOM     92  C5  CPN     4       8.727   0.930  -2.378  0.00  0.00
ATOM     93  H5  CPN     4       8.875   0.190  -3.149  0.00  0.00
ATOM     94  C4  CPN     4       7.987   0.675  -1.198  0.00  0.00
ATOM     95  N4  CPN     4       7.452  -0.492  -1.002  0.00  0.00
ATOM     96  H41 CPN     4       7.566  -1.225  -1.681  0.00  0.00
ATOM     97  H42 CPN     4       6.883  -0.609  -0.171  0.00  0.00
ATOM     98  N3  CPN     4       7.776   1.566  -0.257  0.00  0.00
ATOM     99  C2  CPN     4       8.297   2.792  -0.421  0.00  0.00
ATOM    100  O2  CPN     4       8.066   3.617   0.458  0.00  0.00
ATOM    101  C5' CPN     4       7.969   7.627  -3.144  0.00  0.00
ATOM    102 1H5' CPN     4       7.268   7.063  -3.760  0.00  0.00
ATOM    103 2H5' CPN     4       8.523   8.260  -3.836  0.00  0.00
ATOM    104  C'  CPN     4       7.151   8.542  -2.250  0.00  0.00
ATOM    105  O1' CPN     4       6.572   9.492  -2.767  0.00  0.00
ATOM    106  N1' APN     5       7.116   8.322  -0.933  0.00  0.00
ATOM    107  H1' APN     5       7.630   7.529  -0.573  0.00  0.00
ATOM    108  C2' APN     5       6.521   9.261   0.025  0.00  0.00
ATOM    109 1H2' APN     5       7.293   9.587   0.726  0.00  0.00
ATOM    110 2H2' APN     5       6.158  10.159  -0.477  0.00  0.00
ATOM    111  C3' APN     5       5.390   8.641   0.837  0.00  0.00
ATOM    112 1H3' APN     5       5.803   7.857   1.465  0.00  0.00
ATOM    113 2H3' APN     5       4.990   9.405   1.502  0.00  0.00
ATOM    114  N4' APN     5       4.320   8.146  -0.011  0.00  0.00
ATOM    115  C7' APN     5       4.103   6.865  -0.341  0.00  0.00
ATOM    116  O7' APN     5       3.211   6.535  -1.125  0.00  0.00
ATOM    117  C8' APN     5       5.000   5.803   0.280  0.00  0.00
ATOM    118 1H8' APN     5       6.019   5.931  -0.082  0.00  0.00
ATOM    119 2H8' APN     5       5.005   5.917   1.363  0.00  0.00
ATOM    120  N9  APN     5       4.551   4.443  -0.033  0.00  0.00
ATOM    121  C8  APN     5       5.012   3.598  -1.003  0.00  0.00
ATOM    122  H8  APN     5       5.773   3.871  -1.716  0.00  0.00
ATOM    123  N7  APN     5       4.479   2.412  -0.969  0.00  0.00
ATOM    124  C5  APN     5       3.552   2.515   0.070  0.00  0.00
ATOM    125  C6  APN     5       2.612   1.642   0.653  0.00  0.00
ATOM    126  N6  APN     5       2.435   0.390   0.305  0.00  0.00
ATOM    127  H61 APN     5       1.719  -0.143   0.785  0.00  0.00
ATOM    128  H62 APN     5       3.016  -0.020  -0.410  0.00  0.00
ATOM    129  N1  APN     5       1.798   2.052   1.621  0.00  0.00
ATOM    130  C2  APN     5       1.911   3.304   2.034  0.00  0.00
ATOM    131  H2  APN     5       1.244   3.604   2.834  0.00  0.00
ATOM    132  N3  APN     5       2.752   4.233   1.601  0.00  0.00
ATOM    133  C4  APN     5       3.554   3.767   0.610  0.00  0.00
ATOM    134  C5' APN     5       3.501   9.171  -0.569  0.00  0.00
ATOM    135 1H5' APN     5       3.150   8.886  -1.563  0.00  0.00
ATOM    136 2H5' APN     5       4.077  10.084  -0.709  0.00  0.00
ATOM    137  C'  APN     5       2.349   9.526   0.258  0.00  0.00
ATOM    138  O1' APN     5       1.490   9.833  -0.214  0.00  0.00
ATOM    139  N1' TPN     6       1.906   9.588   1.388  0.00  0.00
ATOM    140  H1' TPN     6       2.540   9.224   2.088  0.00  0.00
ATOM    141  C2' TPN     6       0.733  10.316   1.941  0.00  0.00
ATOM    142 1H2' TPN     6       1.060  10.842   2.840  0.00  0.00
ATOM    143 2H2' TPN     6       0.327  11.077   1.271  0.00  0.00
ATOM    144  C3' TPN     6      -0.343   9.342   2.359  0.00  0.00
ATOM    145 1H3' TPN     6       0.111   8.519   2.904  0.00  0.00
ATOM    146 2H3' TPN     6      -0.988   9.860   3.067  0.00  0.00
ATOM    147  N4' TPN     6      -1.183   8.886   1.257  0.00  0.00
ATOM    148  C7' TPN     6      -1.165   7.648   0.735  0.00  0.00
ATOM    149  O7' TPN     6      -1.988   7.304  -0.118  0.00  0.00
ATOM    150  C8' TPN     6      -0.126   6.648   1.237  0.00  0.00
ATOM    151 1H8' TPN     6       0.870   7.023   1.004  0.00  0.00
ATOM    152 2H8' TPN     6      -0.199   6.553   2.320  0.00  0.00
ATOM    153  N1  TPN     6      -0.297   5.319   0.619  0.00  0.00
ATOM    154  C6  TPN     6       0.367   5.026  -0.544  0.00  0.00
ATOM    155  H6  TPN     6       0.973   5.781  -1.023  0.00  0.00
ATOM    156  C5  TPN     6       0.287   3.787  -1.079  0.00  0.00
ATOM    157  C7  TPN     6       1.112   3.460  -2.298  0.00  0.00
ATOM    158  H71 TPN     6       1.775   4.286  -2.559  0.00  0.00
ATOM    159  H72 TPN     6       0.446   3.250  -3.135  0.00  0.00
ATOM    160  H73 TPN     6       1.709   2.568  -2.108  0.00  0.00
ATOM    161  C4  TPN     6      -0.548   2.765  -0.463  0.00  0.00
ATOM    162  O4  TPN     6      -0.715   1.619  -0.858  0.00  0.00
ATOM    163  N3  TPN     6      -1.190   3.149   0.676  0.00  0.00
ATOM    164  H3  TPN     6      -1.740   2.449   1.149  0.00  0.00
ATOM    165  C2  TPN     6      -1.093   4.371   1.264  0.00  0.00
ATOM    166  O2  TPN     6      -1.668   4.555   2.327  0.00  0.00
ATOM    167  C5' TPN     6      -2.158   9.865   0.766  0.00  0.00
ATOM    168 1H5' TPN     6      -2.282   9.755  -0.312  0.00  0.00
ATOM    169 2H5' TPN     6      -1.789  10.876   0.937  0.00  0.00
ATOM    170  C'  TPN     6      -3.528   9.773   1.412  0.00  0.00
ATOM    171  O1' TPN     6      -4.411  10.533   1.030  0.00  0.00
ATOM    172  N1' GPN     7      -3.728   8.901   2.398  0.00  0.00
ATOM    173  H1' GPN     7      -2.959   8.301   2.666  0.00  0.00
ATOM    174  C2' GPN     7      -4.915   8.926   3.248  0.00  0.00
ATOM    175 1H2' GPN     7      -4.598   9.135   4.272  0.00  0.00
ATOM    176 2H2' GPN     7      -5.597   9.727   2.964  0.00  0.00
ATOM    177  C3' GPN     7      -5.649   7.599   3.266  0.00  0.00
ATOM    178 1H3' GPN     7      -4.958   6.821   3.571  0.00  0.00
ATOM    179 2H3' GPN     7      -6.415   7.660   4.038  0.00  0.00
ATOM    180  N4' GPN     7      -6.301   7.317   1.995  0.00  0.00
ATOM    181  C7' GPN     7      -5.874   6.411   1.102  0.00  0.00
ATOM    182  O7' GPN     7      -6.494   6.229   0.054  0.00  0.00
ATOM    183  C8' GPN     7      -4.611   5.597   1.392  0.00  0.00
ATOM    184 1H8' GPN     7      -3.735   6.224   1.254  0.00  0.00
ATOM    185 2H8' GPN     7      -4.615   5.240   2.421  0.00  0.00
ATOM    186  N9  GPN     7      -4.531   4.418   0.521  0.00  0.00
ATOM    187  C8  GPN     7      -3.929   4.291  -0.701  0.00  0.00
ATOM    188  H8  GPN     7      -3.334   5.081  -1.146  0.00  0.00
ATOM    189  N7  GPN     7      -4.141   3.143  -1.280  0.00  0.00
ATOM    190  C5  GPN     7      -4.959   2.467  -0.375  0.00  0.00
ATOM    191  C6  GPN     7      -5.578   1.177  -0.438  0.00  0.00
ATOM    192  O6  GPN     7      -5.537   0.332  -1.326  0.00  0.00
ATOM    193  N1  GPN     7      -6.327   0.871   0.669  0.00  0.00
ATOM    194  H1  GPN     7      -6.774  -0.034   0.650  0.00  0.00
ATOM    195  C2  GPN     7      -6.483   1.698   1.732  0.00  0.00
ATOM    196  N2  GPN     7      -7.242   1.284   2.714  0.00  0.00
ATOM    197  H21 GPN     7      -7.323   1.896   3.507  0.00  0.00
ATOM    198  H22 GPN     7      -7.741   0.402   2.681  0.00  0.00
ATOM    199  N3  GPN     7      -5.951   2.915   1.828  0.00  0.00
ATOM    200  C4  GPN     7      -5.191   3.240   0.739  0.00  0.00
ATOM    201  C5' GPN     7      -7.499   8.116   1.706  0.00  0.00
ATOM    202 1H5' GPN     7      -7.688   8.167   0.634  0.00  0.00
ATOM    203 2H5' GPN     7      -7.344   9.145   2.026  0.00  0.00
ATOM    204  C'  GPN     7      -8.767   7.633   2.374  0.00  0.00
ATOM    205  O1' GPN     7      -9.778   8.316   2.281  0.00  0.00
ATOM    206  N1' CPN     8      -8.754   6.509   3.078  0.00  0.00
ATOM    207  H1' CPN     8      -7.891   5.982   3.126  0.00  0.00
ATOM    208  C2' CPN     8      -9.865   6.115   3.939  0.00  0.00
ATOM    209 1H2' CPN     8      -9.486   5.971   4.954  0.00  0.00
ATOM    210 2H2' CPN     8     -10.625   6.895   3.998  0.00  0.00
ATOM    211  C3' CPN     8     -10.503   4.818   3.503  0.00  0.00
ATOM    212 1H3' CPN     8      -9.767   4.025   3.545  0.00  0.00
ATOM    213 2H3' CPN     8     -11.275   4.564   4.229  0.00  0.00
ATOM    214  N4' CPN     8     -11.123   4.963   2.208  0.00  0.00
ATOM    215  C7' CPN     8     -10.587   4.581   1.051  0.00  0.00
ATOM    216  O7' CPN     8     -11.175   4.773  -0.009  0.00  0.00
ATOM    217  C8' CPN     8      -9.233   3.882   1.054  0.00  0.00
ATOM    218 1H8' CPN     8      -8.444   4.628   1.136  0.00  0.00
ATOM    219 2H8' CPN     8      -9.152   3.204   1.898  0.00  0.00
ATOM    220  N1  CPN     8      -9.037   3.068  -0.154  0.00  0.00
ATOM    221  C6  CPN     8      -8.197   3.497  -1.134  0.00  0.00
ATOM    222  H6  CPN     8      -7.677   4.441  -1.040  0.00  0.00
ATOM    223  C5  CPN     8      -8.008   2.728  -2.222  0.00  0.00
ATOM    224  H5  CPN     8      -7.335   3.054  -3.000  0.00  0.00
ATOM    225  C4  CPN     8      -8.719   1.506  -2.283  0.00  0.00
ATOM    226  N4  CPN     8      -8.581   0.718  -3.304  0.00  0.00
ATOM    227  H41 CPN     8      -7.956   0.961  -4.054  0.00  0.00
ATOM    228  H42 CPN     8      -9.111  -0.147  -3.298  0.00  0.00
ATOM    229  N3  CPN     8      -9.558   1.096  -1.360  0.00  0.00
ATOM    230  C2  CPN     8      -9.734   1.872  -0.281  0.00  0.00
ATOM    231  O2  CPN     8     -10.518   1.472   0.575  0.00  0.00
ATOM    232  C5' CPN     8     -12.388   5.670   2.224  0.00  0.00
ATOM    233 1H5' CPN     8     -12.422   6.385   1.400  0.00  0.00
ATOM    234 2H5' CPN     8     -12.491   6.250   3.141  0.00  0.00
ATOM    235  C'  CPN     8     -13.564   4.810   2.135  0.00  0.00
ATOM    236  O1' CPN     8     -14.620   5.293   1.973  0.00  0.00
ATOM    237  N1' CPN     9     -13.490   3.555   2.235  0.00  0.00
ATOM    238  H1' CPN     9     -12.588   3.115   2.365  0.00  0.00
ATOM    239  C2' CPN     9     -14.669   2.825   2.453  0.00  0.00
ATOM    240 1H2' CPN     9     -14.493   2.230   3.354  0.00  0.00
ATOM    241 2H2' CPN     9     -15.543   3.418   2.718  0.00  0.00
ATOM    242  C3' CPN     9     -14.963   1.889   1.435  0.00  0.00
ATOM    243 1H3' CPN     9     -14.177   1.158   1.365  0.00  0.00
ATOM    244 2H3' CPN     9     -15.732   1.264   1.890  0.00  0.00
ATOM    245  N4' CPN     9     -15.601   2.380   0.313  0.00  0.00
ATOM    246  C7' CPN     9     -15.126   2.213  -0.837  0.00  0.00
ATOM    247  O7' CPN     9     -15.829   2.451  -1.795  0.00  0.00
ATOM    248  C8' CPN     9     -13.697   1.776  -0.932  0.00  0.00
ATOM    249 1H8' CPN     9     -13.089   2.678  -1.025  0.00  0.00
ATOM    250 2H8' CPN     9     -13.248   1.203  -0.142  0.00  0.00
ATOM    251  N1  CPN     9     -13.537   0.939  -2.071  0.00  0.00
ATOM    252  C6  CPN     9     -12.785   1.405  -3.071  0.00  0.00
ATOM    253  H6  CPN     9     -12.309   2.380  -3.018  0.00  0.00
ATOM    254  C5  CPN     9     -12.614   0.632  -4.140  0.00  0.00
ATOM    255  H5  CPN     9     -12.000   0.976  -4.959  0.00  0.00
ATOM    256  C4  CPN     9     -13.253  -0.614  -4.136  0.00  0.00
ATOM    257  N4  CPN     9     -13.115  -1.394  -5.141  0.00  0.00
ATOM    258  H41 CPN     9     -12.532  -1.123  -5.914  0.00  0.00
ATOM    259  H42 CPN     9     -13.563  -2.298  -5.105  0.00  0.00
ATOM    260  N3  CPN     9     -14.011  -1.060  -3.184  0.00  0.00
ATOM    261  C2  CPN     9     -14.175  -0.285  -2.127  0.00  0.00
ATOM    262  O2  CPN     9     -14.882  -0.712  -1.232  0.00  0.00
ATOM    263  C5' CPN     9     -16.875   2.960   0.436  0.00  0.00
ATOM    264 1H5' CPN     9     -16.978   3.818  -0.231  0.00  0.00
ATOM    265 2H5' CPN     9     -17.049   3.341   1.440  0.00  0.00
ATOM    266  C'  CPN     9     -17.876   2.056   0.153  0.00  0.00
ATOM    267  O1' CPN     9     -18.841   2.146   0.568  0.00  0.00
ATOM    268  N   NME    10     -17.928   1.088  -0.440  0.00  0.00
ATOM    269  H   NME    10     -17.097   0.807  -0.940  0.00  0.00
ATOM    270  CH3 NME    10     -19.107   0.310  -0.611  0.00  0.00
ATOM    271 1HH3 NME    10     -19.901   0.876  -1.108  0.00  0.00
ATOM    272 2HH3 NME    10     -19.472  -0.098   0.337  0.00  0.00
ATOM    273 3HH3 NME    10     -18.875  -0.541  -1.253  0.00  0.00
ATOM    274 1HH3 ACE    11     -19.988  -7.322  -2.828  0.00  0.00
ATOM    275  CH3 ACE    11     -20.264  -8.256  -2.277  0.00  0.00
ATOM    276 2HH3 ACE    11     -21.294  -8.346  -2.660  0.00  0.00
ATOM    277 3HH3 ACE    11     -19.949  -9.156  -2.829  0.00  0.00
ATOM    278  C   ACE    11     -20.406  -8.376  -1.124  0.00  0.00
ATOM    279  O   ACE    11     -20.564  -7.399  -0.884  0.00  0.00
ATOM    280  N1' GPN    12     -19.470  -8.285  -0.769  0.00  0.00
ATOM    281  H1' GPN    12     -18.991  -7.412  -0.976  0.00  0.00
ATOM    282  C2' GPN    12     -18.972  -9.304  -0.594  0.00  0.00
ATOM    283 1H2' GPN    12     -19.544 -10.008   0.046  0.00  0.00
ATOM    284 2H2' GPN    12     -18.610  -9.893  -1.480  0.00  0.00
ATOM    285  C3' GPN    12     -18.350  -8.534   0.173  0.00  0.00
ATOM    286 1H3' GPN    12     -18.126  -7.404   0.291  0.00  0.00
ATOM    287 2H3' GPN    12     -18.506  -8.859   1.216  0.00  0.00
ATOM    288  N4' GPN    12     -17.234  -8.884  -0.359  0.00  0.00
ATOM    289  C7' GPN    12     -16.737  -8.399  -1.389  0.00  0.00
ATOM    290  O7' GPN    12     -15.572  -8.580  -1.433  0.00  0.00
ATOM    291  C8' GPN    12     -17.567  -7.765  -2.438  0.00  0.00
ATOM    292 1H8' GPN    12     -18.183  -6.958  -2.064  0.00  0.00
ATOM    293 2H8' GPN    12     -18.036  -8.529  -3.049  0.00  0.00
ATOM    294  N9  GPN    12     -16.764  -7.077  -3.278  0.00  0.00
ATOM    295  C8  GPN    12     -16.332  -7.466  -4.463  0.00  0.00
ATOM    296  H8  GPN    12     -16.565  -8.425  -4.914  0.00  0.00
ATOM    297  N7  GPN    12     -15.610  -6.568  -5.019  0.00  0.00
ATOM    298  C5  GPN    12     -15.599  -5.553  -4.090  0.00  0.00
ATOM    299  C6  GPN    12     -14.986  -4.302  -4.127  0.00  0.00
ATOM    300  O6  GPN    12     -14.318  -3.822  -5.012  0.00  0.00
ATOM    301  N1  GPN    12     -15.195  -3.563  -3.018  0.00  0.00
ATOM    302  H1  GPN    12     -14.749  -2.666  -2.997  0.00  0.00
ATOM    303  C2  GPN    12     -15.919  -3.974  -1.970  0.00  0.00
ATOM    304  N2  GPN    12     -16.016  -3.174  -0.966  0.00  0.00
ATOM    305  H21 GPN    12     -16.573  -3.475  -0.190  0.00  0.00
ATOM    306  H22 GPN    12     -15.547  -2.278  -0.945  0.00  0.00
ATOM    307  N3  GPN    12     -16.523  -5.139  -1.870  0.00  0.00
ATOM    308  C4  GPN    12     -16.311  -5.867  -2.988  0.00  0.00
ATOM    309  C5' GPN    12     -16.616  -9.761   0.478  0.00  0.00
ATOM    310 1H5' GPN    12     -15.991 -10.449  -0.097  0.00  0.00
ATOM    311 2H5' GPN    12     -17.298 -10.429   1.018  0.00  0.00
ATOM    312  C'  GPN    12     -15.819  -9.148   1.383  0.00  0.00
ATOM    313  O1' GPN    12     -15.116  -9.763   2.118  0.00  0.00
ATOM    314  N1' GPN    13     -15.911  -7.956   1.401  0.00  0.00
ATOM    315  H1' GPN    13     -16.488  -7.400   0.785  0.00  0.00
ATOM    316  C2' GPN    13     -15.350  -7.511   2.483  0.00  0.00
ATOM    317 1H2' GPN    13     -16.048  -6.795   2.931  0.00  0.00
ATOM    318 2H2' GPN    13     -14.995  -8.092   3.345  0.00  0.00
ATOM    319  C3' GPN    13     -14.406  -6.844   1.925  0.00  0.00
ATOM    320 1H3' GPN    13     -14.886  -6.105   1.296  0.00  0.00
ATOM    321 2H3' GPN    13     -14.171  -6.156   2.737  0.00  0.00
ATOM    322  N4' GPN    13     -13.110  -7.243   1.620  0.00  0.00
ATOM    323  C7' GPN    13     -12.545  -6.549   0.644  0.00  0.00
ATOM    324  O7' GPN    13     -11.326  -6.543   0.542  0.00  0.00
ATOM    325  C8' GPN    13     -13.417  -5.784  -0.364  0.00  0.00
ATOM    326 1H8' GPN    13     -14.057  -6.477  -0.907  0.00  0.00
ATOM    327 2H8' GPN    13     -14.021  -5.018   0.116  0.00  0.00
ATOM    328  N9  GPN    13     -12.609  -5.025  -1.293  0.00  0.00
ATOM    329  C8  GPN    13     -12.128  -5.419  -2.500  0.00  0.00
ATOM    330  H8  GPN    13     -12.320  -6.399  -2.923  0.00  0.00
ATOM    331  N7  GPN    13     -11.421  -4.506  -3.097  0.00  0.00
ATOM    332  C5  GPN    13     -11.439  -3.436  -2.202  0.00  0.00
ATOM    333  C6  GPN    13     -10.838  -2.141  -2.271  0.00  0.00
ATOM    334  O6  GPN    13     -10.157  -1.642  -3.161  0.00  0.00
ATOM    335  N1  GPN    13     -11.066  -1.368  -1.162  0.00  0.00
ATOM    336  H1  GPN    13     -10.620  -0.463  -1.171  0.00  0.00
ATOM    337  C2  GPN    13     -11.797  -1.771  -0.094  0.00  0.00
ATOM    338  N2  GPN    13     -11.902  -0.944   0.913  0.00  0.00
ATOM    339  H21 GPN    13     -12.457  -1.256   1.691  0.00  0.00
ATOM    340  H22 GPN    13     -11.411  -0.056   0.942  0.00  0.00
ATOM    341  N3  GPN    13     -12.390  -2.960   0.013  0.00  0.00
ATOM    342  C4  GPN    13     -12.166  -3.751  -1.081  0.00  0.00
ATOM    343  C5' GPN    13     -12.316  -8.009   2.555  0.00  0.00
ATOM    344 1H5' GPN    13     -11.393  -8.351   2.085  0.00  0.00
ATOM    345 2H5' GPN    13     -12.865  -8.910   2.827  0.00  0.00
ATOM    346  C'  GPN    13     -11.946  -7.300   3.823  0.00  0.00
ATOM    347  O1' GPN    13     -11.766  -7.962   4.761  0.00  0.00
ATOM    348  N1' CPN    14     -11.862  -6.028   4.040  0.00  0.00
ATOM    349  H1' CPN    14     -12.045  -5.411   3.260  0.00  0.00
ATOM    350  C2' CPN    14     -11.717  -5.447   5.382  0.00  0.00
ATOM    351 1H2' CPN    14     -12.705  -5.174   5.760  0.00  0.00
ATOM    352 2H2' CPN    14     -11.276  -6.140   6.099  0.00  0.00
ATOM    353  C3' CPN    14     -10.876  -4.195   5.319  0.00  0.00
ATOM    354 1H3' CPN    14     -11.360  -3.476   4.664  0.00  0.00
ATOM    355 2H3' CPN    14     -10.851  -3.757   6.314  0.00  0.00
ATOM    356  N4' CPN    14      -9.506  -4.490   4.902  0.00  0.00
ATOM    357  C7' CPN    14      -8.996  -4.200   3.693  0.00  0.00
ATOM    358  O7' CPN    14      -7.811  -4.415   3.443  0.00  0.00
ATOM    359  C8' CPN    14      -9.887  -3.571   2.617  0.00  0.00
ATOM    360 1H8' CPN    14     -10.669  -4.277   2.341  0.00  0.00
ATOM    361 2H8' CPN    14     -10.365  -2.678   3.017  0.00  0.00
ATOM    362  N1  CPN    14      -9.120  -3.203   1.406  0.00  0.00
ATOM    363  C6  CPN    14      -9.005  -4.087   0.372  0.00  0.00
ATOM    364  H6  CPN    14      -9.479  -5.057   0.425  0.00  0.00
ATOM    365  C5  CPN    14      -8.295  -3.744  -0.720  0.00  0.00
ATOM    366  H5  CPN    14      -8.207  -4.436  -1.544  0.00  0.00
ATOM    367  C4  CPN    14      -7.686  -2.466  -0.720  0.00  0.00
ATOM    368  N4  CPN    14      -6.988  -2.076  -1.742  0.00  0.00
ATOM    369  H41 CPN    14      -6.883  -2.673  -2.544  0.00  0.00
ATOM    370  H42 CPN    14      -6.534  -1.172  -1.677  0.00  0.00
ATOM    371  N3  CPN    14      -7.763  -1.615   0.278  0.00  0.00
ATOM    372  C2  CPN    14      -8.464  -1.979   1.362  0.00  0.00
ATOM    373  O2  CPN    14      -8.500  -1.182   2.296  0.00  0.00
ATOM    374  C5' CPN    14      -8.674  -5.183   5.894  0.00  0.00
ATOM    375 1H5' CPN    14      -7.799  -5.637   5.428  0.00  0.00
ATOM    376 2H5' CPN    14      -9.230  -6.008   6.335  0.00  0.00
ATOM    377  C'  CPN    14      -8.178  -4.312   7.023  0.00  0.00
ATOM    378  O1' CPN    14      -7.866  -4.831   8.058  0.00  0.00
ATOM    379  N1' APN    15      -8.128  -3.005   6.949  0.00  0.00
ATOM    380  H1' APN    15      -8.437  -2.567   6.091  0.00  0.00
ATOM    381  C2' APN    15      -7.831  -2.158   8.111  0.00  0.00
ATOM    382 1H2' APN    15      -8.752  -1.676   8.445  0.00  0.00
ATOM    383 2H2' APN    15      -7.437  -2.729   8.953  0.00  0.00
ATOM    384  C3' APN    15      -6.835  -1.075   7.757  0.00  0.00
ATOM    385 1H3' APN    15      -7.234  -0.473   6.945  0.00  0.00
ATOM    386 2H3' APN    15      -6.732  -0.424   8.623  0.00  0.00
ATOM    387  N4' APN    15      -5.536  -1.656   7.431  0.00  0.00
ATOM    388  C7' APN    15      -5.072  -1.835   6.181  0.00  0.00
ATOM    389  O7' APN    15      -3.996  -2.398   5.976  0.00  0.00
ATOM    390  C8' APN    15      -5.899  -1.332   4.993  0.00  0.00
ATOM    391 1H8' APN    15      -6.819  -1.910   4.916  0.00  0.00
ATOM    392 2H8' APN    15      -6.166  -0.288   5.151  0.00  0.00
ATOM    393  N9  APN    15      -5.173  -1.426   3.717  0.00  0.00
ATOM    394  C8  APN    15      -5.316  -2.351   2.720  0.00  0.00
ATOM    395  H8  APN    15      -5.975  -3.202   2.791  0.00  0.00
ATOM    396  N7  APN    15      -4.615  -2.099   1.654  0.00  0.00
ATOM    397  C5  APN    15      -3.910  -0.948   2.008  0.00  0.00
ATOM    398  C6  APN    15      -2.957  -0.131   1.368  0.00  0.00
ATOM    399  N6  APN    15      -2.528  -0.301   0.140  0.00  0.00
ATOM    400  H61 APN    15      -1.828   0.341  -0.216  0.00  0.00
ATOM    401  H62 APN    15      -2.907  -1.043  -0.427  0.00  0.00
ATOM    402  N1  APN    15      -2.394   0.895   2.000  0.00  0.00
ATOM    403  C2  APN    15      -2.771   1.136   3.246  0.00  0.00
ATOM    404  H2  APN    15      -2.305   1.986   3.730  0.00  0.00
ATOM    405  N3  APN    15      -3.666   0.477   3.971  0.00  0.00
ATOM    406  C4  APN    15      -4.204  -0.564   3.284  0.00  0.00
ATOM    407  C5' APN    15      -4.688  -1.987   8.585  0.00  0.00
ATOM    408 1H5' APN    15      -4.004  -2.802   8.346  0.00  0.00
ATOM    409 2H5' APN    15      -5.300  -2.329   9.420  0.00  0.00
ATOM    410  C'  APN    15      -3.892  -0.792   9.053  0.00  0.00
ATOM    411  O1' APN    15      -4.209   0.325   8.808  0.00  0.00
ATOM    412  N1' TPN    16      -2.830  -0.938   9.770  0.00  0.00
ATOM    413  H1' TPN    16      -2.519  -1.883   9.964  0.00  0.00
ATOM    414  C2' TPN    16      -2.207   0.156  10.519  0.00  0.00
ATOM    415 1H2' TPN    16      -2.976   0.828  10.906  0.00  0.00
ATOM    416 2H2' TPN    16      -1.685  -0.252  11.385  0.00  0.00
ATOM    417  C3' TPN    16      -1.240   0.986   9.682  0.00  0.00
ATOM    418 1H3' TPN    16      -1.788   1.485   8.889  0.00  0.00
ATOM    419 2H3' TPN    16      -0.828   1.765  10.322  0.00  0.00
ATOM    420  N4' TPN    16      -0.142   0.175   9.176  0.00  0.00
ATOM    421  C7' TPN    16       0.017  -0.184   7.893  0.00  0.00
ATOM    422  O7' TPN    16       1.013  -0.813   7.532  0.00  0.00
ATOM    423  C8' TPN    16      -1.041   0.221   6.870  0.00  0.00
ATOM    424 1H8' TPN    16      -1.983  -0.263   7.121  0.00  0.00
ATOM    425 2H8' TPN    16      -1.198   1.298   6.907  0.00  0.00
ATOM    426  N1  TPN    16      -0.652  -0.163   5.500  0.00  0.00
ATOM    427  C6  TPN    16      -1.071  -1.363   4.986  0.00  0.00
ATOM    428  H6  TPN    16      -1.684  -2.022   5.584  0.00  0.00
ATOM    429  C5  TPN    16      -0.732  -1.718   3.727  0.00  0.00
ATOM    430  C7  TPN    16      -1.278  -3.003   3.153  0.00  0.00
ATOM    431  H71 TPN    16      -1.786  -2.797   2.212  0.00  0.00
ATOM    432  H72 TPN    16      -1.976  -3.477   3.843  0.00  0.00
ATOM    433  H73 TPN    16      -0.451  -3.683   2.949  0.00  0.00
ATOM    434  C4  TPN    16       0.124  -0.861   2.918  0.00  0.00
ATOM    435  O4  TPN    16       0.523  -1.083   1.783  0.00  0.00
ATOM    436  N3  TPN    16       0.496   0.310   3.509  0.00  0.00
ATOM    437  H3  TPN    16       1.052   0.943   2.957  0.00  0.00
ATOM    438  C2  TPN    16       0.137   0.715   4.756  0.00  0.00
ATOM    439  O2  TPN    16       0.492   1.821   5.137  0.00  0.00
ATOM    440  C5' TPN    16       0.861  -0.221  10.169  0.00  0.00
ATOM    441 1H5' TPN    16       1.251  -1.212   9.933  0.00  0.00
ATOM    442 2H5' TPN    16       0.407  -0.293  11.156  0.00  0.00
ATOM    443  C'  TPN    16       2.034   0.730  10.292  0.00  0.00
ATOM    444  O1' TPN    16       2.941   0.457  11.067  0.00  0.00
ATOM    445  N1' GPN    17       2.040   1.856   9.589  0.00  0.00
ATOM    446  H1' GPN    17       1.264   2.029   8.964  0.00  0.00
ATOM    447  C2' GPN    17       2.993   2.937   9.823  0.00  0.00
ATOM    448 1H2' GPN    17       2.433   3.847  10.050  0.00  0.00
ATOM    449 2H2' GPN    17       3.625   2.737  10.688  0.00  0.00
ATOM    450  C3' GPN    17       3.849   3.223   8.602  0.00  0.00
ATOM    451 1H3' GPN    17       3.198   3.466   7.770  0.00  0.00
ATOM    452 2H3' GPN    17       4.435   4.117   8.812  0.00  0.00
ATOM    453  N4' GPN    17       4.763   2.134   8.309  0.00  0.00
ATOM    454  C7' GPN    17       4.616   1.233   7.335  0.00  0.00
ATOM    455  O7' GPN    17       5.431   0.320   7.188  0.00  0.00
ATOM    456  C8' GPN    17       3.423   1.346   6.397  0.00  0.00
ATOM    457 1H8' GPN    17       2.534   0.967   6.892  0.00  0.00
ATOM    458 2H8' GPN    17       3.245   2.384   6.122  0.00  0.00
ATOM    459  N9  GPN    17       3.672   0.611   5.154  0.00  0.00
ATOM    460  C8  GPN    17       3.299  -0.661   4.819  0.00  0.00
ATOM    461  H8  GPN    17       2.660  -1.271   5.448  0.00  0.00
ATOM    462  N7  GPN    17       3.788  -1.070   3.682  0.00  0.00
ATOM    463  C5  GPN    17       4.557   0.010   3.246  0.00  0.00
ATOM    464  C6  GPN    17       5.380   0.185   2.086  0.00  0.00
ATOM    465  O6  GPN    17       5.618  -0.595   1.169  0.00  0.00
ATOM    466  N1  GPN    17       5.980   1.417   2.014  0.00  0.00
ATOM    467  H1  GPN    17       6.553   1.571   1.197  0.00  0.00
ATOM    468  C2  GPN    17       5.827   2.391   2.945  0.00  0.00
ATOM    469  N2  GPN    17       6.461   3.519   2.753  0.00  0.00
ATOM    470  H21 GPN    17       6.306   4.243   3.433  0.00  0.00
ATOM    471  H22 GPN    17       7.076   3.669   1.960  0.00  0.00
ATOM    472  N3  GPN    17       5.098   2.268   4.053  0.00  0.00
ATOM    473  C4  GPN    17       4.479   1.051   4.141  0.00  0.00
ATOM    474  C5' GPN    17       5.890   2.023   9.200  0.00  0.00
ATOM    475 1H5' GPN    17       6.297   1.012   9.216  0.00  0.00
ATOM    476 2H5' GPN    17       5.573   2.222  10.223  0.00  0.00
ATOM    477  C'  GPN    17       6.999   2.953   8.897  0.00  0.00
ATOM    478  O1' GPN    17       7.817   3.062   9.660  0.00  0.00
ATOM    479  N1' CPN    18       7.202   3.724   7.928  0.00  0.00
ATOM    480  H1' CPN    18       6.503   3.728   7.195  0.00  0.00
ATOM    481  C2' CPN    18       8.257   4.742   7.877  0.00  0.00
ATOM    482 1H2' CPN    18       7.784   5.722   7.778  0.00  0.00
ATOM    483 2H2' CPN    18       8.890   4.795   8.765  0.00  0.00
ATOM    484  C3' CPN    18       9.119   4.534   6.671  0.00  0.00
ATOM    485 1H3' CPN    18       8.507   4.548   5.777  0.00  0.00
ATOM    486 2H3' CPN    18       9.789   5.389   6.592  0.00  0.00
ATOM    487  N4' CPN    18       9.917   3.344   6.807  0.00  0.00
ATOM    488  C7' CPN    18       9.622   2.153   6.297  0.00  0.00
ATOM    489  O7' CPN    18      10.359   1.189   6.476  0.00  0.00
ATOM    490  C8' CPN    18       8.361   1.995   5.464  0.00  0.00
ATOM    491 1H8' CPN    18       7.512   1.833   6.126  0.00  0.00
ATOM    492 2H8' CPN    18       8.169   2.880   4.867  0.00  0.00
ATOM    493  N1  CPN    18       8.476   0.877   4.520  0.00  0.00
ATOM    494  C6  CPN    18       7.766  -0.262   4.732  0.00  0.00
ATOM    495  H6  CPN    18       7.119  -0.358   5.594  0.00  0.00
ATOM    496  C5  CPN    18       7.868  -1.272   3.849  0.00  0.00
ATOM    497  H5  CPN    18       7.301  -2.179   4.001  0.00  0.00
ATOM    498  C4  CPN    18       8.734  -1.085   2.747  0.00  0.00
ATOM    499  N4  CPN    18       8.882  -2.019   1.861  0.00  0.00
ATOM    500  H41 CPN    18       8.370  -2.882   1.940  0.00  0.00
ATOM    501  H42 CPN    18       9.515  -1.833   1.090  0.00  0.00
ATOM    502  N3  CPN    18       9.448  -0.002   2.548  0.00  0.00
ATOM    503  C2  CPN    18       9.332   0.995   3.434  0.00  0.00
ATOM    504  O2  CPN    18      10.001   2.004   3.229  0.00  0.00
ATOM    505  C5' CPN    18      11.090   3.508   7.634  0.00  0.00
ATOM    506 1H5' CPN    18      11.204   2.645   8.292  0.00  0.00
ATOM    507 2H5' CPN    18      10.984   4.379   8.281  0.00  0.00
ATOM    508  C'  CPN    18      12.336   3.681   6.882  0.00  0.00
ATOM    509  O1' CPN    18      13.353   3.652   7.454  0.00  0.00
ATOM    510  N1' CPN    19      12.372   3.870   5.630  0.00  0.00
ATOM    511  H1' CPN    19      11.503   3.878   5.110  0.00  0.00
ATOM    512  C2' CPN    19      13.553   4.342   5.025  0.00  0.00
ATOM    513 1H2' CPN    19      13.270   5.222   4.442  0.00  0.00
ATOM    514 2H2' CPN    19      14.290   4.732   5.730  0.00  0.00
ATOM    515  C3' CPN    19      14.142   3.452   4.109  0.00  0.00
ATOM    516 1H3' CPN    19      13.509   3.271   3.257  0.00  0.00
ATOM    517 2H3' CPN    19      14.887   4.071   3.608  0.00  0.00
ATOM    518  N4' CPN    19      14.894   2.470   4.680  0.00  0.00
ATOM    519  C7' CPN    19      14.663   1.257   4.438  0.00  0.00
ATOM    520  O7' CPN    19      15.472   0.412   4.761  0.00  0.00
ATOM    521  C8' CPN    19      13.360   0.934   3.807  0.00  0.00
ATOM    522 1H8' CPN    19      12.743   0.552   4.621  0.00  0.00
ATOM    523 2H8' CPN    19      12.726   1.684   3.368  0.00  0.00
ATOM    524  N1  CPN    19      13.535  -0.069   2.820  0.00  0.00
ATOM    525  C6  CPN    19      12.953  -1.241   3.075  0.00  0.00
ATOM    526  H6  CPN    19      12.360  -1.404   3.970  0.00  0.00
ATOM    527  C5  CPN    19      13.092  -2.217   2.189  0.00  0.00
ATOM    528  H5  CPN    19      12.617  -3.172   2.359  0.00  0.00
ATOM    529  C4  CPN    19      13.865  -1.942   1.058  0.00  0.00
ATOM    530  N4  CPN    19      14.025  -2.850   0.177  0.00  0.00
ATOM    531  H41 CPN    19      13.577  -3.744   0.284  0.00  0.00
ATOM    532  H42 CPN    19      14.567  -2.620  -0.644  0.00  0.00
ATOM    533  N3  CPN    19      14.471  -0.823   0.821  0.00  0.00
ATOM    534  C2  CPN    19      14.326   0.141   1.708  0.00  0.00
ATOM    535  O2  CPN    19      14.892   1.192   1.475  0.00  0.00
ATOM    536  C5' CPN    19      16.058   2.871   5.380  0.00  0.00
ATOM    537 1H5' CPN    19      16.002   2.500   6.406  0.00  0.00
ATOM    538 2H5' CPN    19      16.165   3.955   5.419  0.00  0.00
ATOM    539  C'  CPN    19      17.173   2.388   4.795  0.00  0.00
ATOM    540  O1' CPN    19      18.167   2.415   5.364  0.00  0.00
ATOM    541  N   NME    20      17.086   1.954   3.667  0.00  0.00
ATOM    542  H   NME    20      16.222   1.949   3.149  0.00  0.00
ATOM    543  CH3 NME    20      18.096   1.231   3.270  0.00  0.00
ATOM    544 1HH3 NME    20      18.994   1.840   3.127  0.00  0.00
ATOM    545 2HH3 NME    20      17.853   0.782   2.305  0.00  0.00
ATOM    546 3HH3 NME    20      18.309   0.408   3.960  0.00  0.00
# 546 atoms read from pdb file sa1.pdb.


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