NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1014 149d cing 1-original 8 MR format nomenclature mapping


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  247 H/Q atoms
  Start of MODEL    1
    1   1H5*    C   1          1H5*        C   1  -9.023  11.524   9.392
    2   2H5*    C   1          2H5*        C   1  -7.324  11.030   9.359
    3    H4*    C   1           H4*        C   1  -9.199  11.094   6.917
    4    H3*    C   1           H3*        C   1  -9.159   9.014   8.865
    5   1H2*    C   1          1H2*        C   1  -7.043   8.139   8.517
    6   2H2*    C   1          2H2*        C   1  -7.721   7.365   7.141
    7    H1*    C   1           H1*        C   1  -7.071   8.836   5.609
    8   1H4     C   1          1H4         C   1  -0.955   9.729   5.716
    9   2H4     C   1          2H4         C   1  -0.799   9.466   7.469
   10    H5     C   1           H5         C   1  -2.734   9.171   8.791
   11    H6     C   1           H6         C   1  -5.233   9.016   8.758
   12    H5T    C   1           H5T        C   1  -7.732  13.326   9.170
   13   1H5*    C   2          1H5*        C   2 -11.231   7.860   4.550
   14   2H5*    C   2          2H5*        C   2 -11.651   6.183   4.239
   15    H4*    C   2           H4*        C   2 -10.207   7.716   2.548
   16    H3*    C   2           H3*        C   2 -10.512   4.858   2.616
   17   1H2*    C   2          1H2*        C   2  -8.229   4.473   3.348
   18   2H2*    C   2          2H2*        C   2  -7.932   4.684   1.584
   19    H1*    C   2           H1*        C   2  -7.387   6.975   1.909
   20   1H4     C   2          1H4         C   2  -2.076   6.482   5.297
   21   2H4     C   2          2H4         C   2  -3.074   6.157   6.704
   22    H5     C   2           H5         C   2  -5.261   5.758   6.724
   23    H6     C   2           H6         C   2  -7.401   5.697   5.324
   24   1H5*    T   3          1H5*        T   3  -8.038   5.715  -1.697
   25   2H5*    T   3          2H5*        T   3  -8.809   4.460  -2.685
   26    H4*    T   3           H4*        T   3  -6.296   4.351  -2.691
   27    H3*    T   3           H3*        T   3  -7.925   2.000  -1.849
   28   1H2*    T   3          1H2*        T   3  -6.226   1.221  -0.388
   29   2H2*    T   3          2H2*        T   3  -5.123   1.207  -1.747
   30    H1*    T   3           H1*        T   3  -4.363   3.383  -1.311
   31    H3     T   3           H3         T   3  -1.773   3.198   2.204
   32   1H5M    T   3          1H5M        T   3  -5.748   2.847   5.025
   33   2H5M    T   3          2H5M        T   3  -5.551   1.137   4.622
   34   3H5M    T   3          3H5M        T   3  -6.888   2.063   3.923
   35    H6     T   3           H6         T   3  -6.475   2.401   1.570
   36   1H5*    A   4          1H5*        A   4  -4.185   2.089  -3.887
   37   2H5*    A   4          2H5*        A   4  -3.986   1.056  -5.339
   38    H4*    A   4           H4*        A   4  -1.804   1.310  -4.295
   39    H3*    A   4           H3*        A   4  -3.055  -1.417  -3.962
   40   1H2*    A   4          1H2*        A   4  -1.823  -1.816  -2.011
   41   2H2*    A   4          2H2*        A   4  -0.304  -1.387  -2.848
   42    H1*    A   4           H1*        A   4  -0.360   0.799  -2.150
   43    H8     A   4           H8         A   4  -3.529  -0.261  -0.263
   44   1H6     A   4          1H6         A   4   0.053  -0.202   4.899
   45   2H6     A   4          2H6         A   4  -1.551  -0.479   4.256
   46    H2     A   4           H2         A   4   2.722   0.285   1.377
   47   1H5*    T   5          1H5*        T   5   1.149  -0.810  -4.379
   48   2H5*    T   5          2H5*        T   5   1.895  -1.642  -5.712
   49    H4*    T   5           H4*        T   5   3.490  -1.598  -3.870
   50    H3*    T   5           H3*        T   5   2.322  -4.228  -4.666
   51   1H2*    T   5          1H2*        T   5   2.174  -5.054  -2.598
   52   2H2*    T   5          2H2*        T   5   3.902  -4.882  -2.300
   53    H1*    T   5           H1*        T   5   3.654  -2.905  -1.219
   54    H3     T   5           H3         T   5   1.407  -3.563   2.580
   55   1H5M    T   5          1H5M        T   5  -2.579  -3.408  -0.680
   56   2H5M    T   5          2H5M        T   5  -2.506  -4.907   0.249
   57   3H5M    T   5          3H5M        T   5  -1.998  -4.905  -1.423
   58    H6     T   5           H6         T   5   0.191  -3.809  -2.077
   59   1H5*    T   6          1H5*        T   6   6.276  -4.532  -2.923
   60   2H5*    T   6          2H5*        T   6   7.361  -5.486  -3.859
   61    H4*    T   6           H4*        T   6   7.600  -6.373  -1.631
   62    H3*    T   6           H3*        T   6   5.655  -8.091  -3.248
   63   1H2*    T   6          1H2*        T   6   4.824  -9.053  -1.409
   64   2H2*    T   6          2H2*        T   6   6.355  -9.249  -0.619
   65    H1*    T   6           H1*        T   6   6.130  -7.260   0.530
   66    H3     T   6           H3         T   6   2.433  -6.918   3.043
   67   1H5M    T   6          1H5M        T   6   0.274  -8.281  -1.357
   68   2H5M    T   6          2H5M        T   6   0.818  -6.798  -2.154
   69   3H5M    T   6          3H5M        T   6  -0.315  -6.714  -0.803
   70    H6     T   6           H6         T   6   3.263  -7.255  -1.689
   71   1H5*    C   7          1H5*        C   7   9.001 -10.028  -0.868
   72   2H5*    C   7          2H5*        C   7   9.478 -11.666  -1.279
   73    H4*    C   7           H4*        C   7   9.111 -11.448   1.154
   74    H3*    C   7           H3*        C   7   6.975 -13.130  -0.175
   75   1H2*    C   7          1H2*        C   7   5.977 -13.463   1.963
   76   2H2*    C   7          2H2*        C   7   7.462 -13.111   2.823
   77    H1*    C   7           H1*        C   7   6.895 -10.939   3.060
   78   1H4     C   7          1H4         C   7   0.730 -10.117   2.617
   79   2H4     C   7          2H4         C   7   0.651 -10.473   0.870
   80    H5     C   7           H5         C   7   2.674 -10.708  -0.339
   81    H6     C   7           H6         C   7   5.124 -11.161  -0.134
   82    H3T    C   7           H3T        C   7   9.214 -13.680   1.483
   83   1H5*    G   8          1H5*        G   8  -4.084 -10.955  11.391
   84   2H5*    G   8          2H5*        G   8  -3.774 -12.645  11.727
   85    H4*    G   8           H4*        G   8  -1.496 -12.151  12.516
   86    H3*    G   8           H3*        G   8  -2.397  -9.313  12.561
   87   1H2*    G   8          1H2*        G   8  -1.342  -8.779  10.610
   88   2H2*    G   8          2H2*        G   8   0.146  -8.931  11.446
   89    H1*    G   8           H1*        G   8   0.390 -11.124  10.452
   90    H8     G   8           H8         G   8  -2.688  -9.604   8.659
   91    H1     G   8           H1         G   8   2.350 -10.512   4.812
   92   1H2     G   8          1H2         G   8   4.016 -11.201   5.859
   93   2H2     G   8          2H2         G   8   3.965 -11.596   7.562
   94    H5T    G   8           H5T        G   8  -3.780 -10.521  13.574
   95   1H5*    A   9          1H5*        A   9   1.782  -9.558  12.847
   96   2H5*    A   9          2H5*        A   9   2.552  -8.638  14.131
   97    H4*    A   9           H4*        A   9   3.874  -8.274  12.213
   98    H3*    A   9           H3*        A   9   2.721  -6.144  13.246
   99   1H2*    A   9          1H2*        A   9   1.892  -5.256  11.245
  100   2H2*    A   9          2H2*        A   9   3.586  -4.953  10.769
  101    H1*    A   9           H1*        A   9   3.716  -7.145   9.595
  102    H8     A   9           H8         A   9  -0.122  -6.353   9.929
  103   1H6     A   9          1H6         A   9   0.025  -6.609   3.639
  104   2H6     A   9          2H6         A   9  -0.943  -5.954   4.916
  105    H2     A   9           H2         A   9   4.062  -7.236   5.057
  106   1H5*    A  10          1H5*        A  10   6.435  -5.901  10.886
  107   2H5*    A  10          2H5*        A  10   8.011  -5.153  11.080
  108    H4*    A  10           H4*        A  10   7.364  -4.012   9.152
  109    H3*    A  10           H3*        A  10   6.204  -2.221  11.256
  110   1H2*    A  10          1H2*        A  10   4.723  -1.473   9.706
  111   2H2*    A  10          2H2*        A  10   5.839  -1.069   8.709
  112    H1*    A  10           H1*        A  10   5.867  -3.349   7.588
  113    H8     A  10           H8         A  10   2.653  -2.834   9.646
  114   1H6     A  10          1H6         A  10  -0.251  -3.426   4.059
  115   2H6     A  10          2H6         A  10  -0.596  -2.832   5.634
  116    H2     A  10           H2         A  10   4.000  -3.597   3.384
  117   1H5*    T  11          1H5*        T  11   8.662  -1.358   7.663
  118   2H5*    T  11          2H5*        T  11   9.800  -0.042   7.906
  119    H4*    T  11           H4*        T  11   9.173  -0.451   5.515
  120    H3*    T  11           H3*        T  11   9.060   2.191   6.583
  121   1H2*    T  11          1H2*        T  11   6.766   2.590   6.047
  122   2H2*    T  11          2H2*        T  11   7.280   2.674   4.411
  123    H1*    T  11           H1*        T  11   6.755   0.396   3.922
  124    H3     T  11           H3         T  11   2.337   0.135   4.011
  125   1H5M    T  11          1H5M        T  11   3.810   1.402   9.100
  126   2H5M    T  11          2H5M        T  11   3.092  -0.233   8.999
  127   3H5M    T  11          3H5M        T  11   2.130   1.181   8.597
  128    H6     T  11           H6         T  11   5.703   0.984   7.333
  129   1H5*    A  12          1H5*        A  12   8.543   1.928   2.204
  130   2H5*    A  12          2H5*        A  12   9.469   3.085   1.277
  131    H4*    A  12           H4*        A  12   7.489   2.664   0.361
  132    H3*    A  12           H3*        A  12   7.768   5.476   1.412
  133   1H2*    A  12          1H2*        A  12   5.513   5.911   1.827
  134   2H2*    A  12          2H2*        A  12   5.129   5.635   0.168
  135    H1*    A  12           H1*        A  12   4.563   3.294   0.655
  136    H8     A  12           H8         A  12   5.150   4.213   4.215
  137   1H6     A  12          1H6         A  12  -1.269   3.851   4.406
  138   2H6     A  12          2H6         A  12  -0.023   4.084   5.494
  139    H2     A  12           H2         A  12   0.144   3.489   0.301
  140   1H5*    G  13          1H5*        G  13   5.506   5.631  -2.256
  141   2H5*    G  13          2H5*        G  13   5.931   6.960  -3.367
  142    H4*    G  13           H4*        G  13   3.576   6.712  -3.221
  143    H3*    G  13           H3*        G  13   4.658   9.230  -2.069
  144   1H2*    G  13          1H2*        G  13   3.098   9.303  -0.403
  145   2H2*    G  13          2H2*        G  13   1.868   9.442  -1.606
  146    H1*    G  13           H1*        G  13   1.427   7.031  -1.460
  147    H8     G  13           H8         G  13   3.802   7.762   1.459
  148    H1     G  13           H1         G  13  -2.420   6.731   2.864
  149   1H2     G  13          1H2         G  13  -3.540   6.686   1.113
  150   2H2     G  13          2H2         G  13  -2.746   6.571  -0.418
  151   1H5*    G  14          1H5*        G  14   0.993   9.306  -5.049
  152   2H5*    G  14          2H5*        G  14   0.500  10.599  -6.131
  153    H4*    G  14           H4*        G  14  -1.187  10.483  -4.509
  154    H3*    G  14           H3*        G  14   0.599  12.883  -4.093
  155   1H2*    G  14          1H2*        G  14   0.003  13.088  -1.900
  156   2H2*    G  14          2H2*        G  14  -1.694  13.076  -2.270
  157    H1*    G  14           H1*        G  14  -1.910  10.797  -2.044
  158    H8     G  14           H8         G  14   1.613  11.520  -0.579
  159    H1     G  14           H1         G  14  -2.785   9.681   3.709
  160   1H2     G  14          1H2         G  14  -4.721   9.540   2.756
  161   2H2     G  14          2H2         G  14  -4.859   9.620   0.993
  162    H3T    G  14           H3T        G  14  -2.181  12.494  -4.545
  163   1H5*    C  15          1H5*      NPC  15 -10.396 -10.151   2.528
  164   2H5*    C  15          2H5*      NPC  15 -10.730  -8.400   2.594
  165    H4*    C  15           H4*      NPC  15 -10.070  -9.621   4.815
  166    H3*    C  15           H3*      NPC  15  -9.453  -6.934   3.942
  167   1H2*    C  15          1H2*      NPC  15  -7.154  -7.064   4.476
  168   2H2*    C  15          2H2*      NPC  15  -7.646  -7.283   6.197
  169    H1*    C  15           H1*      NPC  15  -7.307  -9.534   6.132
  170    H3     C  15           H3       NPC  15  -2.830  -9.653   5.412
  171   1H4     C  15          1H4       NPC  15  -1.333  -9.516   3.584
  172   2H4     C  15          2H4       NPC  15  -2.053  -8.839   2.174
  173    H5     C  15           H5       NPC  15  -4.232  -8.677   1.687
  174    H6     C  15           H6       NPC  15  -6.554  -8.593   2.642
  175    H5T    C  15           H5T      NPC  15  -8.318  -9.667   1.783
  176   1H5*    T  16          1H5*        T  16  -9.175  -7.703   8.526
  177   2H5*    T  16          2H5*        T  16 -10.144  -6.424   9.316
  178    H4*    T  16           H4*        T  16  -8.147  -7.103  10.659
  179    H3*    T  16           H3*        T  16  -8.749  -4.378  10.013
  180   1H2*    T  16          1H2*        T  16  -6.878  -3.876   8.942
  181   2H2*    T  16          2H2*        T  16  -6.040  -3.817  10.482
  182    H1*    T  16           H1*        T  16  -5.274  -5.976  10.372
  183    H3     T  16           H3         T  16  -1.896  -5.734   7.370
  184   1H5M    T  16          1H5M        T  16  -6.498  -5.015   4.571
  185   2H5M    T  16          2H5M        T  16  -4.904  -4.941   3.823
  186   3H5M    T  16          3H5M        T  16  -5.574  -3.507   4.617
  187    H6     T  16           H6         T  16  -6.670  -5.028   7.105
  188   1H5*    T  17          1H5*        T  17  -5.420  -3.150  12.297
  189   2H5*    T  17          2H5*        T  17  -4.571  -4.680  11.910
  190    H4*    T  17           H4*        T  17  -3.338  -4.359  14.167
  191    H3*    T  17           H3*        T  17  -4.798  -2.193  14.771
  192   1H2*    T  17          1H2*        T  17  -4.657  -1.267  12.502
  193   2H2*    T  17          2H2*        T  17  -3.504  -0.243  13.396
  194    H1*    T  17           H1*        T  17  -1.595  -1.569  12.619
  195    H3     T  17           H3         T  17  -0.225  -2.513   8.463
  196   1H5M    T  17          1H5M        T  17  -4.971  -0.520   7.659
  197   2H5M    T  17          2H5M        T  17  -5.621  -2.035   8.232
  198   3H5M    T  17          3H5M        T  17  -4.654  -2.012   6.773
  199    H6     T  17           H6         T  17  -4.578  -1.463  10.341
  200   1H5*    G  18          1H5*        G  18  -0.130  -1.315  15.669
  201   2H5*    G  18          2H5*        G  18   0.186   0.022  16.790
  202    H4*    G  18           H4*        G  18   1.807   0.064  14.814
  203    H3*    G  18           H3*        G  18   0.052   2.389  15.106
  204   1H2*    G  18          1H2*        G  18   0.907   3.177  12.805
  205   2H2*    G  18          2H2*        G  18   2.322   2.171  13.054
  206    H1*    G  18           H1*        G  18   1.153   0.611  11.641
  207    H8     G  18           H8         G  18  -1.740   2.070  13.766
  208    H1     G  18           H1         G  18  -2.703   1.791   7.358
  209   1H2     G  18          1H2         G  18  -1.231   1.349   6.367
  210   2H2     G  18          2H2         G  18   0.171   0.628   7.094
  211   1H5*    T  19          1H5*        T  19   4.601   2.460  13.691
  212   2H5*    T  19          2H5*        T  19   5.307   3.749  14.623
  213    H4*    T  19           H4*        T  19   6.496   3.531  12.493
  214    H3*    T  19           H3*        T  19   5.488   6.102  13.332
  215   1H2*    T  19          1H2*        T  19   3.867   6.171  11.783
  216   2H2*    T  19          2H2*        T  19   4.993   6.933  10.808
  217    H1*    T  19           H1*        T  19   5.733   4.797   9.811
  218    H3     T  19           H3         T  19   2.505   3.883   6.504
  219   1H5M    T  19          1H5M        T  19  -0.231   5.715  10.542
  220   2H5M    T  19          2H5M        T  19   0.033   4.184  11.280
  221   3H5M    T  19          3H5M        T  19  -0.939   4.249   9.809
  222    H6     T  19           H6         T  19   2.263   4.773  11.259
  223   1H5*    C  20          1H5*      NPC  20   8.405   5.873   9.552
  224   2H5*    C  20          2H5*      NPC  20   9.658   7.089   9.692
  225    H4*    C  20           H4*      NPC  20   9.147   6.687   7.315
  226    H3*    C  20           H3*      NPC  20   8.434   9.412   8.288
  227   1H2*    C  20          1H2*      NPC  20   6.568   9.658   6.983
  228   2H2*    C  20          2H2*      NPC  20   7.540   9.267   5.576
  229    H1*    C  20           H1*      NPC  20   6.981   7.017   5.528
  230    H3     C  20           H3       NPC  20   2.605   7.189   4.615
  231   1H4     C  20          1H4       NPC  20   0.518   7.286   5.828
  232   2H4     C  20          2H4       NPC  20   0.628   7.798   7.424
  233    H5     C  20           H5       NPC  20   2.807   7.864   8.770
  234    H6     C  20           H6       NPC  20   5.253   7.983   8.490
  235   1H5*    C  21          1H5*      NPC  21   8.244  11.561   4.724
  236   2H5*    C  21          2H5*      NPC  21   8.508   9.875   4.089
  237    H4*    C  21           H4*      NPC  21   9.621  10.824   2.217
  238    H3*    C  21           H3*      NPC  21   9.470  13.271   3.363
  239   1H2*    C  21          1H2*      NPC  21   6.971  13.502   3.546
  240   2H2*    C  21          2H2*      NPC  21   7.101  14.094   1.848
  241    H1*    C  21           H1*      NPC  21   6.370  11.982   0.982
  242    H3     C  21           H3       NPC  21   2.278  11.470   2.428
  243   1H4     C  21          1H4       NPC  21   1.109  10.808   4.408
  244   2H4     C  21          2H4       NPC  21   2.072  10.892   5.805
  245    H5     C  21           H5       NPC  21   4.298  11.075   5.956
  246    H6     C  21           H6       NPC  21   6.416  11.513   4.748
  247    H3T    C  21           H3T      NPC  21  10.232  12.763   1.243
   
  Start of MODEL           2
 Raw file had  247 H/Q atoms
  Start of MODEL    2
    1   1H5*    C   1          1H5*        C   1  -8.796  10.747   9.732
    2   2H5*    C   1          2H5*        C   1  -7.105  10.474   9.249
    3    H4*    C   1           H4*        C   1  -9.413  10.867   7.238
    4    H3*    C   1           H3*        C   1  -9.194   8.526   8.752
    5   1H2*    C   1          1H2*        C   1  -7.125   7.662   8.133
    6   2H2*    C   1          2H2*        C   1  -7.960   7.175   6.723
    7    H1*    C   1           H1*        C   1  -7.208   8.790   5.394
    8   1H4     C   1          1H4         C   1  -1.154   9.907   5.797
    9   2H4     C   1          2H4         C   1  -1.006   9.597   7.544
   10    H5     C   1           H5         C   1  -2.990   8.976   8.741
   11    H6     C   1           H6         C   1  -5.465   8.690   8.613
   12    H5T    C   1           H5T        C   1  -7.669  12.723   9.628
   13   1H5*    C   2          1H5*        C   2 -11.210   7.998   4.347
   14   2H5*    C   2          2H5*        C   2 -11.871   6.450   3.916
   15    H4*    C   2           H4*        C   2 -10.369   7.814   2.223
   16    H3*    C   2           H3*        C   2 -10.600   4.928   2.387
   17   1H2*    C   2          1H2*        C   2  -8.323   4.544   2.762
   18   2H2*    C   2          2H2*        C   2  -8.110   4.967   1.054
   19    H1*    C   2           H1*        C   2  -7.521   7.212   1.595
   20   1H4     C   2          1H4         C   2  -2.324   6.518   5.207
   21   2H4     C   2          2H4         C   2  -3.340   6.022   6.525
   22    H5     C   2           H5         C   2  -5.474   5.528   6.350
   23    H6     C   2           H6         C   2  -7.598   5.599   4.862
   24   1H5*    T   3          1H5*        T   3  -8.441   5.669  -1.655
   25   2H5*    T   3          2H5*        T   3  -9.056   4.503  -2.842
   26    H4*    T   3           H4*        T   3  -6.623   4.419  -2.691
   27    H3*    T   3           H3*        T   3  -8.056   1.913  -1.866
   28   1H2*    T   3          1H2*        T   3  -6.266   1.375  -0.349
   29   2H2*    T   3          2H2*        T   3  -5.173   1.394  -1.732
   30    H1*    T   3           H1*        T   3  -4.609   3.638  -1.375
   31    H3     T   3           H3         T   3  -1.935   3.296   2.123
   32   1H5M    T   3          1H5M        T   3  -5.799   3.168   5.048
   33   2H5M    T   3          2H5M        T   3  -6.043   1.546   4.507
   34   3H5M    T   3          3H5M        T   3  -7.136   2.806   3.949
   35    H6     T   3           H6         T   3  -6.675   2.688   1.445
   36   1H5*    A   4          1H5*        A   4  -4.193   2.228  -3.774
   37   2H5*    A   4          2H5*        A   4  -4.031   1.349  -5.300
   38    H4*    A   4           H4*        A   4  -1.842   1.418  -4.306
   39    H3*    A   4           H3*        A   4  -3.118  -1.306  -3.972
   40   1H2*    A   4          1H2*        A   4  -1.888  -1.743  -2.079
   41   2H2*    A   4          2H2*        A   4  -0.381  -1.327  -2.920
   42    H1*    A   4           H1*        A   4  -0.380   0.839  -2.188
   43    H8     A   4           H8         A   4  -3.570  -0.075  -0.315
   44   1H6     A   4          1H6         A   4   0.137  -0.040   4.824
   45   2H6     A   4          2H6         A   4  -1.488  -0.321   4.250
   46    H2     A   4           H2         A   4   2.708   0.265   1.269
   47   1H5*    T   5          1H5*        T   5   1.152  -0.793  -4.364
   48   2H5*    T   5          2H5*        T   5   1.832  -1.548  -5.773
   49    H4*    T   5           H4*        T   5   3.521  -1.636  -4.057
   50    H3*    T   5           H3*        T   5   2.291  -4.260  -4.752
   51   1H2*    T   5          1H2*        T   5   2.159  -5.036  -2.652
   52   2H2*    T   5          2H2*        T   5   3.909  -4.906  -2.411
   53    H1*    T   5           H1*        T   5   3.765  -2.900  -1.327
   54    H3     T   5           H3         T   5   1.530  -3.534   2.523
   55   1H5M    T   5          1H5M        T   5  -2.500  -3.099  -0.486
   56   2H5M    T   5          2H5M        T   5  -2.419  -4.718   0.194
   57   3H5M    T   5          3H5M        T   5  -2.021  -4.468  -1.500
   58    H6     T   5           H6         T   5   0.253  -3.662  -2.119
   59   1H5*    T   6          1H5*        T   6   6.436  -4.549  -3.074
   60   2H5*    T   6          2H5*        T   6   7.503  -5.651  -3.951
   61    H4*    T   6           H4*        T   6   7.737  -6.295  -1.627
   62    H3*    T   6           H3*        T   6   5.684  -8.087  -2.988
   63   1H2*    T   6          1H2*        T   6   5.082  -9.013  -1.050
   64   2H2*    T   6          2H2*        T   6   6.647  -9.025  -0.331
   65    H1*    T   6           H1*        T   6   6.345  -6.930   0.646
   66    H3     T   6           H3         T   6   2.628  -6.977   3.181
   67   1H5M    T   6          1H5M        T   6   0.196  -8.124  -0.883
   68   2H5M    T   6          2H5M        T   6   1.079  -7.254  -2.089
   69   3H5M    T   6          3H5M        T   6   0.075  -6.361  -0.923
   70    H6     T   6           H6         T   6   3.469  -7.197  -1.579
   71   1H5*    C   7          1H5*        C   7   8.953 -10.074  -0.741
   72   2H5*    C   7          2H5*        C   7   9.380 -11.675  -1.274
   73    H4*    C   7           H4*        C   7   9.185 -11.536   1.171
   74    H3*    C   7           H3*        C   7   6.996 -13.238  -0.112
   75   1H2*    C   7          1H2*        C   7   6.137 -13.687   2.068
   76   2H2*    C   7          2H2*        C   7   7.638 -13.297   2.856
   77    H1*    C   7           H1*        C   7   6.885 -11.189   3.204
   78   1H4     C   7          1H4         C   7   0.805 -10.247   2.527
   79   2H4     C   7          2H4         C   7   0.739 -10.573   0.790
   80    H5     C   7           H5         C   7   2.856 -10.720  -0.366
   81    H6     C   7           H6         C   7   5.286 -11.240  -0.088
   82    H3T    C   7           H3T        C   7   9.340 -13.801   1.396
   83   1H5*    G   8          1H5*        G   8  -3.993 -10.883  11.040
   84   2H5*    G   8          2H5*        G   8  -3.701 -12.589  11.456
   85    H4*    G   8           H4*        G   8  -1.478 -12.084  12.373
   86    H3*    G   8           H3*        G   8  -2.427  -9.273  12.490
   87   1H2*    G   8          1H2*        G   8  -1.364  -8.599  10.584
   88   2H2*    G   8          2H2*        G   8   0.087  -8.722  11.469
   89    H1*    G   8           H1*        G   8   0.475 -10.863  10.377
   90    H8     G   8           H8         G   8  -2.610  -9.337   8.562
   91    H1     G   8           H1         G   8   2.282 -10.767   4.694
   92   1H2     G   8          1H2         G   8   3.916 -11.631   5.800
   93   2H2     G   8          2H2         G   8   3.801 -11.820   7.539
   94    H5T    G   8           H5T        G   8  -3.947 -10.378  13.226
   95   1H5*    A   9          1H5*        A   9   1.695  -9.686  12.800
   96   2H5*    A   9          2H5*        A   9   2.550  -8.920  14.117
   97    H4*    A   9           H4*        A   9   3.862  -8.446  12.227
   98    H3*    A   9           H3*        A   9   2.778  -6.345  13.372
   99   1H2*    A   9          1H2*        A   9   1.860  -5.367  11.450
  100   2H2*    A   9          2H2*        A   9   3.537  -5.004  10.968
  101    H1*    A   9           H1*        A   9   3.670  -7.140   9.689
  102    H8     A   9           H8         A   9  -0.159  -6.196   9.968
  103   1H6     A   9          1H6         A   9   0.209  -6.544   3.684
  104   2H6     A   9          2H6         A   9  -0.816  -5.782   4.828
  105    H2     A   9           H2         A   9   4.164  -7.262   5.242
  106   1H5*    A  10          1H5*        A  10   6.351  -5.989  10.923
  107   2H5*    A  10          2H5*        A  10   7.926  -5.336  11.083
  108    H4*    A  10           H4*        A  10   7.296  -4.140   9.177
  109    H3*    A  10           H3*        A  10   6.303  -2.313  11.364
  110   1H2*    A  10          1H2*        A  10   4.692  -1.593   9.958
  111   2H2*    A  10          2H2*        A  10   5.739  -1.076   8.920
  112    H1*    A  10           H1*        A  10   5.826  -3.376   7.696
  113    H8     A  10           H8         A  10   2.625  -2.931   9.788
  114   1H6     A  10          1H6         A  10  -0.249  -3.309   4.138
  115   2H6     A  10          2H6         A  10  -0.627  -2.733   5.740
  116    H2     A  10           H2         A  10   3.973  -3.495   3.484
  117   1H5*    T  11          1H5*        T  11   9.113  -1.387   7.723
  118   2H5*    T  11          2H5*        T  11  10.057   0.080   7.882
  119    H4*    T  11           H4*        T  11   9.366  -0.575   5.494
  120    H3*    T  11           H3*        T  11   9.102   2.126   6.489
  121   1H2*    T  11          1H2*        T  11   6.813   2.340   5.897
  122   2H2*    T  11          2H2*        T  11   7.290   2.314   4.246
  123    H1*    T  11           H1*        T  11   6.972  -0.023   3.985
  124    H3     T  11           H3         T  11   2.466   0.130   3.920
  125   1H5M    T  11          1H5M        T  11   3.926   1.357   9.038
  126   2H5M    T  11          2H5M        T  11   3.231  -0.274   8.974
  127   3H5M    T  11          3H5M        T  11   2.258   1.091   8.544
  128    H6     T  11           H6         T  11   5.867   0.780   7.302
  129   1H5*    A  12          1H5*        A  12   8.441   1.800   2.175
  130   2H5*    A  12          2H5*        A  12   9.363   2.938   1.244
  131    H4*    A  12           H4*        A  12   7.345   2.627   0.303
  132    H3*    A  12           H3*        A  12   7.702   5.376   1.575
  133   1H2*    A  12          1H2*        A  12   5.462   5.831   1.951
  134   2H2*    A  12          2H2*        A  12   5.087   5.627   0.307
  135    H1*    A  12           H1*        A  12   4.517   3.272   0.656
  136    H8     A  12           H8         A  12   5.088   4.050   4.255
  137   1H6     A  12          1H6         A  12  -1.298   3.782   4.428
  138   2H6     A  12          2H6         A  12  -0.004   4.027   5.500
  139    H2     A  12           H2         A  12   0.035   3.491   0.309
  140   1H5*    G  13          1H5*        G  13   5.524   5.655  -2.152
  141   2H5*    G  13          2H5*        G  13   5.924   6.990  -3.218
  142    H4*    G  13           H4*        G  13   3.581   6.613  -3.072
  143    H3*    G  13           H3*        G  13   4.589   9.221  -2.115
  144   1H2*    G  13          1H2*        G  13   3.256   9.249  -0.278
  145   2H2*    G  13          2H2*        G  13   1.923   9.520  -1.388
  146    H1*    G  13           H1*        G  13   1.437   7.083  -1.343
  147    H8     G  13           H8         G  13   3.767   7.719   1.582
  148    H1     G  13           H1         G  13  -2.522   6.816   2.840
  149   1H2     G  13          1H2         G  13  -3.609   6.903   1.048
  150   2H2     G  13          2H2         G  13  -2.778   6.684  -0.470
  151   1H5*    G  14          1H5*        G  14   0.625   9.221  -4.683
  152   2H5*    G  14          2H5*        G  14   0.206  10.325  -5.975
  153    H4*    G  14           H4*        G  14  -1.464  10.770  -4.456
  154    H3*    G  14           H3*        G  14   0.619  12.909  -4.392
  155   1H2*    G  14          1H2*        G  14   0.583  13.084  -2.064
  156   2H2*    G  14          2H2*        G  14  -1.048  13.699  -2.211
  157    H1*    G  14           H1*        G  14  -2.005  11.615  -1.952
  158    H8     G  14           H8         G  14   1.583  11.552  -0.543
  159    H1     G  14           H1         G  14  -2.931   9.772   3.671
  160   1H2     G  14          1H2         G  14  -4.916   9.901   2.695
  161   2H2     G  14          2H2         G  14  -5.035  10.116   0.955
  162    H3T    G  14           H3T        G  14  -2.197  12.863  -4.316
  163   1H5*    C  15          1H5*      NPC  15  -9.929 -10.585   2.964
  164   2H5*    C  15          2H5*      NPC  15 -10.866  -9.099   3.165
  165    H4*    C  15           H4*      NPC  15  -9.740  -9.814   5.307
  166    H3*    C  15           H3*      NPC  15  -9.543  -7.163   4.145
  167   1H2*    C  15          1H2*      NPC  15  -7.210  -6.887   4.588
  168   2H2*    C  15          2H2*      NPC  15  -7.574  -7.122   6.293
  169    H1*    C  15           H1*      NPC  15  -6.961  -9.302   6.322
  170    H3     C  15           H3       NPC  15  -2.645  -9.601   5.183
  171   1H4     C  15          1H4       NPC  15  -1.261  -9.319   3.289
  172   2H4     C  15          2H4       NPC  15  -2.063  -8.609   1.921
  173    H5     C  15           H5       NPC  15  -4.325  -8.373   1.629
  174    H6     C  15           H6       NPC  15  -6.560  -8.376   2.749
  175    H5T    C  15           H5T      NPC  15  -8.266  -9.355   2.109
  176   1H5*    T  16          1H5*        T  16  -8.984  -7.566   8.590
  177   2H5*    T  16          2H5*        T  16  -9.976  -6.356   9.403
  178    H4*    T  16           H4*        T  16  -7.893  -6.821  10.619
  179    H3*    T  16           H3*        T  16  -8.550  -4.112   9.760
  180   1H2*    T  16          1H2*        T  16  -6.623  -3.603   8.790
  181   2H2*    T  16          2H2*        T  16  -5.844  -3.592  10.343
  182    H1*    T  16           H1*        T  16  -5.095  -5.765  10.197
  183    H3     T  16           H3         T  16  -1.819  -5.692   7.152
  184   1H5M    T  16          1H5M        T  16  -6.555  -4.488   4.562
  185   2H5M    T  16          2H5M        T  16  -5.095  -4.883   3.640
  186   3H5M    T  16          3H5M        T  16  -5.290  -3.295   4.354
  187    H6     T  16           H6         T  16  -6.558  -4.783   6.986
  188   1H5*    T  17          1H5*        T  17  -5.424  -2.840  12.431
  189   2H5*    T  17          2H5*        T  17  -4.627  -4.359  11.974
  190    H4*    T  17           H4*        T  17  -3.498  -4.252  14.319
  191    H3*    T  17           H3*        T  17  -4.693  -1.932  14.933
  192   1H2*    T  17          1H2*        T  17  -4.476  -1.056  12.666
  193   2H2*    T  17          2H2*        T  17  -3.200  -0.167  13.576
  194    H1*    T  17           H1*        T  17  -1.433  -1.626  12.797
  195    H3     T  17           H3         T  17  -0.211  -2.568   8.625
  196   1H5M    T  17          1H5M        T  17  -4.653  -0.060   7.886
  197   2H5M    T  17          2H5M        T  17  -5.523  -1.479   8.452
  198   3H5M    T  17          3H5M        T  17  -4.561  -1.556   6.975
  199    H6     T  17           H6         T  17  -4.420  -1.222  10.536
  200   1H5*    G  18          1H5*        G  18   0.163  -1.218  15.620
  201   2H5*    G  18          2H5*        G  18   0.381   0.156  16.747
  202    H4*    G  18           H4*        G  18   2.072   0.222  14.841
  203    H3*    G  18           H3*        G  18   0.307   2.531  15.139
  204   1H2*    G  18          1H2*        G  18   1.150   3.294  12.826
  205   2H2*    G  18          2H2*        G  18   2.572   2.327  13.083
  206    H1*    G  18           H1*        G  18   1.453   0.789  11.615
  207    H8     G  18           H8         G  18  -1.463   2.164  13.757
  208    H1     G  18           H1         G  18  -2.650   1.740   7.456
  209   1H2     G  18          1H2         G  18  -1.193   1.325   6.374
  210   2H2     G  18          2H2         G  18   0.256   0.670   7.029
  211   1H5*    T  19          1H5*        T  19   4.593   2.586  13.767
  212   2H5*    T  19          2H5*        T  19   5.477   3.796  14.697
  213    H4*    T  19           H4*        T  19   6.539   3.581  12.570
  214    H3*    T  19           H3*        T  19   5.609   6.178  13.339
  215   1H2*    T  19          1H2*        T  19   3.901   6.180  11.870
  216   2H2*    T  19          2H2*        T  19   4.976   6.948  10.801
  217    H1*    T  19           H1*        T  19   5.738   4.861   9.870
  218    H3     T  19           H3         T  19   2.542   3.783   6.550
  219   1H5M    T  19          1H5M        T  19  -0.077   5.880  10.598
  220   2H5M    T  19          2H5M        T  19  -0.176   4.204  11.058
  221   3H5M    T  19          3H5M        T  19  -0.943   4.769   9.546
  222    H6     T  19           H6         T  19   2.246   4.945  11.243
  223   1H5*    C  20          1H5*      NPC  20   8.438   5.707   9.712
  224   2H5*    C  20          2H5*      NPC  20   9.670   6.936   9.573
  225    H4*    C  20           H4*      NPC  20   8.848   6.213   7.335
  226    H3*    C  20           H3*      NPC  20   8.353   9.054   8.126
  227   1H2*    C  20          1H2*      NPC  20   6.519   9.286   6.787
  228   2H2*    C  20          2H2*      NPC  20   7.421   8.575   5.383
  229    H1*    C  20           H1*      NPC  20   6.651   6.450   5.753
  230    H3     C  20           H3       NPC  20   2.407   7.018   4.777
  231   1H4     C  20          1H4       NPC  20   0.346   7.362   5.905
  232   2H4     C  20          2H4       NPC  20   0.423   7.987   7.479
  233    H5     C  20           H5       NPC  20   2.712   8.049   8.878
  234    H6     C  20           H6       NPC  20   5.092   8.006   8.535
  235   1H5*    C  21          1H5*      NPC  21   8.111  10.584   4.780
  236   2H5*    C  21          2H5*      NPC  21   8.630   9.140   3.813
  237    H4*    C  21           H4*      NPC  21   9.546  10.543   2.216
  238    H3*    C  21           H3*      NPC  21   9.392  12.678   3.983
  239   1H2*    C  21          1H2*      NPC  21   6.972  13.295   3.749
  240   2H2*    C  21          2H2*      NPC  21   7.430  13.908   2.107
  241    H1*    C  21           H1*      NPC  21   6.480  11.961   1.093
  242    H3     C  21           H3       NPC  21   2.272  11.483   2.322
  243   1H4     C  21          1H4       NPC  21   1.039  10.826   4.122
  244   2H4     C  21          2H4       NPC  21   1.857  10.823   5.616
  245    H5     C  21           H5       NPC  21   4.171  10.806   5.870
  246    H6     C  21           H6       NPC  21   6.375  11.247   4.750
  247    H3T    C  21           H3T      NPC  21  10.573  12.636   2.122
   
  Start of MODEL           3
 Raw file had  247 H/Q atoms
  Start of MODEL    3
    1   1H5*    C   1          1H5*        C   1  -8.797  10.843   9.854
    2   2H5*    C   1          2H5*        C   1  -7.185  10.522   9.274
    3    H4*    C   1           H4*        C   1  -9.474  11.185   7.370
    4    H3*    C   1           H3*        C   1  -9.560   8.804   8.801
    5   1H2*    C   1          1H2*        C   1  -7.438   7.998   8.399
    6   2H2*    C   1          2H2*        C   1  -8.160   7.347   6.978
    7    H1*    C   1           H1*        C   1  -7.401   8.840   5.534
    8   1H4     C   1          1H4         C   1  -1.271   9.583   5.758
    9   2H4     C   1          2H4         C   1  -1.179   9.337   7.505
   10    H5     C   1           H5         C   1  -3.082   8.882   8.789
   11    H6     C   1           H6         C   1  -5.624   8.758   8.677
   12    H5T    C   1           H5T        C   1  -7.564  12.712   9.830
   13   1H5*    C   2          1H5*        C   2 -11.434   8.228   4.240
   14   2H5*    C   2          2H5*        C   2 -12.071   6.632   3.927
   15    H4*    C   2           H4*        C   2 -10.478   7.821   2.204
   16    H3*    C   2           H3*        C   2 -10.809   4.975   2.623
   17   1H2*    C   2          1H2*        C   2  -8.560   4.568   3.131
   18   2H2*    C   2          2H2*        C   2  -8.272   4.811   1.395
   19    H1*    C   2           H1*        C   2  -7.659   7.060   1.687
   20   1H4     C   2          1H4         C   2  -2.479   6.296   5.375
   21   2H4     C   2          2H4         C   2  -3.562   5.880   6.670
   22    H5     C   2           H5         C   2  -5.744   5.641   6.550
   23    H6     C   2           H6         C   2  -7.828   5.787   5.101
   24   1H5*    T   3          1H5*        T   3  -8.247   5.854  -0.999
   25   2H5*    T   3          2H5*        T   3  -8.888   5.074  -2.419
   26    H4*    T   3           H4*        T   3  -6.543   4.785  -2.557
   27    H3*    T   3           H3*        T   3  -7.875   2.238  -1.656
   28   1H2*    T   3          1H2*        T   3  -5.995   1.629  -0.387
   29   2H2*    T   3          2H2*        T   3  -4.992   1.746  -1.843
   30    H1*    T   3           H1*        T   3  -4.369   3.942  -1.350
   31    H3     T   3           H3         T   3  -1.725   3.355   2.134
   32   1H5M    T   3          1H5M        T   3  -5.788   3.288   4.905
   33   2H5M    T   3          2H5M        T   3  -5.572   1.605   4.586
   34   3H5M    T   3          3H5M        T   3  -6.914   2.437   3.805
   35    H6     T   3           H6         T   3  -6.444   2.855   1.401
   36   1H5*    A   4          1H5*        A   4  -4.207   2.261  -4.155
   37   2H5*    A   4          2H5*        A   4  -4.180   1.067  -5.427
   38    H4*    A   4           H4*        A   4  -1.943   1.368  -4.441
   39    H3*    A   4           H3*        A   4  -3.149  -1.369  -4.047
   40   1H2*    A   4          1H2*        A   4  -1.866  -1.750  -2.167
   41   2H2*    A   4          2H2*        A   4  -0.461  -1.249  -2.998
   42    H1*    A   4           H1*        A   4  -0.499   0.893  -2.299
   43    H8     A   4           H8         A   4  -3.602   0.035  -0.371
   44   1H6     A   4          1H6         A   4   0.213  -0.040   4.642
   45   2H6     A   4          2H6         A   4  -1.470  -0.172   4.133
   46    H2     A   4           H2         A   4   2.666   0.135   1.071
   47   1H5*    T   5          1H5*        T   5   1.206  -0.709  -4.450
   48   2H5*    T   5          2H5*        T   5   1.816  -1.495  -5.840
   49    H4*    T   5           H4*        T   5   3.557  -1.650  -4.189
   50    H3*    T   5           H3*        T   5   2.209  -4.206  -4.809
   51   1H2*    T   5          1H2*        T   5   2.111  -4.966  -2.698
   52   2H2*    T   5          2H2*        T   5   3.895  -4.871  -2.569
   53    H1*    T   5           H1*        T   5   3.836  -2.890  -1.475
   54    H3     T   5           H3         T   5   1.687  -3.446   2.446
   55   1H5M    T   5          1H5M        T   5  -2.419  -2.907  -0.179
   56   2H5M    T   5          2H5M        T   5  -2.274  -4.659   0.096
   57   3H5M    T   5          3H5M        T   5  -1.995  -3.994  -1.520
   58    H6     T   5           H6         T   5   0.301  -3.549  -2.108
   59   1H5*    T   6          1H5*        T   6   6.487  -4.766  -3.475
   60   2H5*    T   6          2H5*        T   6   7.375  -5.950  -4.387
   61    H4*    T   6           H4*        T   6   7.753  -6.480  -2.066
   62    H3*    T   6           H3*        T   6   5.700  -8.350  -3.255
   63   1H2*    T   6          1H2*        T   6   4.978  -9.044  -1.258
   64   2H2*    T   6          2H2*        T   6   6.473  -9.133  -0.533
   65    H1*    T   6           H1*        T   6   6.426  -7.000   0.367
   66    H3     T   6           H3         T   6   2.734  -6.714   2.992
   67   1H5M    T   6          1H5M        T   6   1.081  -6.781  -2.238
   68   2H5M    T   6          2H5M        T   6  -0.033  -6.394  -0.875
   69   3H5M    T   6          3H5M        T   6   0.431  -8.038  -1.246
   70    H6     T   6           H6         T   6   3.450  -7.195  -1.768
   71   1H5*    C   7          1H5*        C   7   8.889 -10.060  -0.521
   72   2H5*    C   7          2H5*        C   7   9.448 -11.623  -0.994
   73    H4*    C   7           H4*        C   7   9.115 -11.646   1.412
   74    H3*    C   7           H3*        C   7   6.841 -13.107  -0.014
   75   1H2*    C   7          1H2*        C   7   5.880 -13.591   2.108
   76   2H2*    C   7          2H2*        C   7   7.393 -13.348   2.967
   77    H1*    C   7           H1*        C   7   6.828 -11.195   3.378
   78   1H4     C   7          1H4         C   7   0.764 -10.023   2.800
   79   2H4     C   7          2H4         C   7   0.690 -10.219   1.039
   80    H5     C   7           H5         C   7   2.750 -10.456  -0.137
   81    H6     C   7           H6         C   7   5.175 -11.043   0.109
   82    H3T    C   7           H3T        C   7   9.098 -13.925   1.517
   83   1H5*    G   8          1H5*        G   8  -4.211 -10.363  11.480
   84   2H5*    G   8          2H5*        G   8  -4.033 -12.099  11.573
   85    H4*    G   8           H4*        G   8  -1.718 -11.796  12.559
   86    H3*    G   8           H3*        G   8  -2.536  -8.917  12.699
   87   1H2*    G   8          1H2*        G   8  -1.500  -8.364  10.731
   88   2H2*    G   8          2H2*        G   8  -0.004  -8.509  11.582
   89    H1*    G   8           H1*        G   8   0.241 -10.713  10.635
   90    H8     G   8           H8         G   8  -2.698  -9.093   8.713
   91    H1     G   8           H1         G   8   2.320 -10.487   5.002
   92   1H2     G   8          1H2         G   8   3.898 -11.440   6.178
   93   2H2     G   8          2H2         G   8   3.801 -11.485   7.949
   94    H5T    G   8           H5T        G   8  -3.651 -10.448  13.805
   95   1H5*    A   9          1H5*        A   9   1.686  -9.593  12.821
   96   2H5*    A   9          2H5*        A   9   2.641  -8.798  14.066
   97    H4*    A   9           H4*        A   9   3.921  -8.453  12.174
   98    H3*    A   9           H3*        A   9   2.957  -6.311  13.308
   99   1H2*    A   9          1H2*        A   9   1.902  -5.374  11.407
  100   2H2*    A   9          2H2*        A   9   3.560  -4.987  10.907
  101    H1*    A   9           H1*        A   9   3.701  -7.120   9.621
  102    H8     A   9           H8         A   9  -0.089  -6.136   9.861
  103   1H6     A   9          1H6         A   9   0.337  -6.434   3.580
  104   2H6     A   9          2H6         A   9  -0.714  -5.822   4.790
  105    H2     A   9           H2         A   9   4.249  -7.349   5.202
  106   1H5*    A  10          1H5*        A  10   6.844  -6.152  11.002
  107   2H5*    A  10          2H5*        A  10   8.290  -5.185  11.192
  108    H4*    A  10           H4*        A  10   7.458  -4.288   9.199
  109    H3*    A  10           H3*        A  10   6.360  -2.419  11.298
  110   1H2*    A  10          1H2*        A  10   4.934  -1.650   9.739
  111   2H2*    A  10          2H2*        A  10   6.074  -1.379   8.682
  112    H1*    A  10           H1*        A  10   5.973  -3.703   7.693
  113    H8     A  10           H8         A  10   2.816  -2.913   9.724
  114   1H6     A  10          1H6         A  10  -0.038  -3.135   4.067
  115   2H6     A  10          2H6         A  10  -0.404  -2.661   5.700
  116    H2     A  10           H2         A  10   4.145  -3.615   3.446
  117   1H5*    T  11          1H5*        T  11   8.796  -1.739   7.628
  118   2H5*    T  11          2H5*        T  11  10.053  -0.462   7.831
  119    H4*    T  11           H4*        T  11   9.422  -0.835   5.453
  120    H3*    T  11           H3*        T  11   9.253   1.841   6.488
  121   1H2*    T  11          1H2*        T  11   6.978   2.181   5.962
  122   2H2*    T  11          2H2*        T  11   7.413   2.244   4.323
  123    H1*    T  11           H1*        T  11   7.017  -0.053   3.834
  124    H3     T  11           H3         T  11   2.503   0.257   3.803
  125   1H5M    T  11          1H5M        T  11   2.603   1.372   8.482
  126   2H5M    T  11          2H5M        T  11   4.156   0.718   8.993
  127   3H5M    T  11          3H5M        T  11   2.816  -0.371   8.652
  128    H6     T  11           H6         T  11   5.883   0.587   7.200
  129   1H5*    A  12          1H5*        A  12   8.487   1.675   2.032
  130   2H5*    A  12          2H5*        A  12   9.426   2.837   1.178
  131    H4*    A  12           H4*        A  12   7.430   2.555   0.222
  132    H3*    A  12           H3*        A  12   7.671   5.297   1.540
  133   1H2*    A  12          1H2*        A  12   5.425   5.695   1.872
  134   2H2*    A  12          2H2*        A  12   5.059   5.486   0.256
  135    H1*    A  12           H1*        A  12   4.554   3.122   0.601
  136    H8     A  12           H8         A  12   5.194   3.891   4.177
  137   1H6     A  12          1H6         A  12  -1.178   3.686   4.431
  138   2H6     A  12          2H6         A  12   0.084   3.948   5.478
  139    H2     A  12           H2         A  12   0.144   3.359   0.286
  140   1H5*    G  13          1H5*        G  13   5.410   5.545  -2.214
  141   2H5*    G  13          2H5*        G  13   5.818   6.927  -3.264
  142    H4*    G  13           H4*        G  13   3.432   6.587  -3.121
  143    H3*    G  13           H3*        G  13   4.438   9.156  -1.969
  144   1H2*    G  13          1H2*        G  13   3.005   9.110  -0.230
  145   2H2*    G  13          2H2*        G  13   1.709   9.292  -1.423
  146    H1*    G  13           H1*        G  13   1.315   6.873  -1.342
  147    H8     G  13           H8         G  13   3.687   7.513   1.534
  148    H1     G  13           H1         G  13  -2.582   6.618   2.947
  149   1H2     G  13          1H2         G  13  -3.684   6.659   1.208
  150   2H2     G  13          2H2         G  13  -2.869   6.522  -0.326
  151   1H5*    G  14          1H5*        G  14   0.641   9.259  -4.854
  152   2H5*    G  14          2H5*        G  14   0.208  10.498  -5.999
  153    H4*    G  14           H4*        G  14  -1.468  10.595  -4.361
  154    H3*    G  14           H3*        G  14   0.511  12.855  -3.952
  155   1H2*    G  14          1H2*        G  14  -0.144  13.141  -1.782
  156   2H2*    G  14          2H2*        G  14  -1.791  13.238  -2.185
  157    H1*    G  14           H1*        G  14  -2.127  10.932  -1.916
  158    H8     G  14           H8         G  14   1.451  11.357  -0.470
  159    H1     G  14           H1         G  14  -3.087   9.611   3.751
  160   1H2     G  14          1H2         G  14  -5.009   9.717   2.780
  161   2H2     G  14          2H2         G  14  -5.137   9.884   1.026
  162    H3T    G  14           H3T        G  14  -2.232  12.641  -4.649
  163   1H5*    C  15          1H5*      NPC  15  -9.795 -10.561   2.658
  164   2H5*    C  15          2H5*      NPC  15 -10.536  -8.960   2.667
  165    H4*    C  15           H4*      NPC  15  -9.416  -9.720   4.872
  166    H3*    C  15           H3*      NPC  15  -9.378  -7.044   3.690
  167   1H2*    C  15          1H2*      NPC  15  -7.086  -6.718   3.973
  168   2H2*    C  15          2H2*      NPC  15  -7.379  -6.812   5.697
  169    H1*    C  15           H1*      NPC  15  -6.801  -8.994   5.930
  170    H3     C  15           H3       NPC  15  -2.453  -9.104   5.214
  171   1H4     C  15          1H4       NPC  15  -0.894  -8.855   3.394
  172   2H4     C  15          2H4       NPC  15  -1.588  -8.366   1.880
  173    H5     C  15           H5       NPC  15  -3.833  -8.169   1.394
  174    H6     C  15           H6       NPC  15  -6.166  -8.258   2.367
  175    H5T    C  15           H5T      NPC  15  -8.007  -9.718   1.654
  176   1H5*    T  16          1H5*        T  16  -8.867  -7.474   8.482
  177   2H5*    T  16          2H5*        T  16  -9.904  -6.201   9.166
  178    H4*    T  16           H4*        T  16  -7.860  -6.658  10.541
  179    H3*    T  16           H3*        T  16  -8.557  -4.006   9.669
  180   1H2*    T  16          1H2*        T  16  -6.660  -3.440   8.684
  181   2H2*    T  16          2H2*        T  16  -5.903  -3.384  10.242
  182    H1*    T  16           H1*        T  16  -5.035  -5.465  10.198
  183    H3     T  16           H3         T  16  -1.749  -5.631   7.153
  184   1H5M    T  16          1H5M        T  16  -6.435  -4.508   4.486
  185   2H5M    T  16          2H5M        T  16  -5.027  -5.123   3.601
  186   3H5M    T  16          3H5M        T  16  -5.114  -3.441   4.141
  187    H6     T  16           H6         T  16  -6.471  -4.683   6.916
  188   1H5*    T  17          1H5*        T  17  -4.863  -2.999  12.009
  189   2H5*    T  17          2H5*        T  17  -4.297  -4.689  12.206
  190    H4*    T  17           H4*        T  17  -3.323  -4.113  14.352
  191    H3*    T  17           H3*        T  17  -4.707  -1.904  14.831
  192   1H2*    T  17          1H2*        T  17  -4.393  -1.039  12.573
  193   2H2*    T  17          2H2*        T  17  -3.225  -0.034  13.517
  194    H1*    T  17           H1*        T  17  -1.354  -1.418  12.780
  195    H3     T  17           H3         T  17  -0.011  -2.572   8.633
  196   1H5M    T  17          1H5M        T  17  -5.018  -0.475   8.370
  197   2H5M    T  17          2H5M        T  17  -5.051  -2.133   7.823
  198   3H5M    T  17          3H5M        T  17  -4.154  -0.968   6.908
  199    H6     T  17           H6         T  17  -4.251  -1.108  10.442
  200   1H5*    G  18          1H5*        G  18  -0.104  -1.057  15.943
  201   2H5*    G  18          2H5*        G  18   0.214   0.394  16.961
  202    H4*    G  18           H4*        G  18   1.848   0.235  15.036
  203    H3*    G  18           H3*        G  18   0.168   2.596  15.147
  204   1H2*    G  18          1H2*        G  18   1.113   3.238  12.865
  205   2H2*    G  18          2H2*        G  18   2.468   2.184  13.182
  206    H1*    G  18           H1*        G  18   1.283   0.612  11.826
  207    H8     G  18           H8         G  18  -1.579   2.317  13.782
  208    H1     G  18           H1         G  18  -2.510   1.608   7.441
  209   1H2     G  18          1H2         G  18  -0.896   0.910   6.476
  210   2H2     G  18          2H2         G  18   0.430   0.315   7.403
  211   1H5*    T  19          1H5*        T  19   4.455   2.500  13.813
  212   2H5*    T  19          2H5*        T  19   5.389   3.566  14.743
  213    H4*    T  19           H4*        T  19   6.449   3.582  12.631
  214    H3*    T  19           H3*        T  19   5.232   6.120  13.493
  215   1H2*    T  19          1H2*        T  19   3.710   6.122  11.863
  216   2H2*    T  19          2H2*        T  19   4.857   6.861  10.860
  217    H1*    T  19           H1*        T  19   5.625   4.764   9.963
  218    H3     T  19           H3         T  19   2.600   3.802   6.548
  219   1H5M    T  19          1H5M        T  19  -0.322   5.905  10.176
  220   2H5M    T  19          2H5M        T  19  -0.075   4.526  11.224
  221   3H5M    T  19          3H5M        T  19  -0.977   4.333   9.699
  222    H6     T  19           H6         T  19   2.133   4.813  11.238
  223   1H5*    C  20          1H5*      NPC  20   8.282   5.821  10.031
  224   2H5*    C  20          2H5*      NPC  20   9.433   7.132   9.905
  225    H4*    C  20           H4*      NPC  20   8.825   6.174   7.689
  226    H3*    C  20           H3*      NPC  20   8.361   9.039   8.156
  227   1H2*    C  20          1H2*      NPC  20   6.500   9.180   6.861
  228   2H2*    C  20          2H2*      NPC  20   7.436   8.493   5.499
  229    H1*    C  20           H1*      NPC  20   6.687   6.344   5.822
  230    H3     C  20           H3       NPC  20   2.423   6.917   4.799
  231   1H4     C  20          1H4       NPC  20   0.347   7.276   5.951
  232   2H4     C  20          2H4       NPC  20   0.463   8.064   7.446
  233    H5     C  20           H5       NPC  20   2.632   7.977   8.861
  234    H6     C  20           H6       NPC  20   5.108   7.882   8.598
  235   1H5*    C  21          1H5*      NPC  21   8.116  10.555   4.746
  236   2H5*    C  21          2H5*      NPC  21   8.249   8.984   3.758
  237    H4*    C  21           H4*      NPC  21   9.410  10.248   2.092
  238    H3*    C  21           H3*      NPC  21   9.379  12.449   3.765
  239   1H2*    C  21          1H2*      NPC  21   6.942  13.025   3.697
  240   2H2*    C  21          2H2*      NPC  21   7.248  13.685   2.080
  241    H1*    C  21           H1*      NPC  21   6.300  11.755   1.052
  242    H3     C  21           H3       NPC  21   2.128  11.326   2.458
  243   1H4     C  21          1H4       NPC  21   0.943  10.653   4.320
  244   2H4     C  21          2H4       NPC  21   1.861  10.726   5.776
  245    H5     C  21           H5       NPC  21   4.177  10.607   5.932
  246    H6     C  21           H6       NPC  21   6.324  10.961   4.693
  247    H3T    C  21           H3T      NPC  21  10.435  12.402   1.872
   
  Start of MODEL           4
 Raw file had  247 H/Q atoms
  Start of MODEL    4
    1   1H5*    C   1          1H5*        C   1  -9.583  11.702   9.422
    2   2H5*    C   1          2H5*        C   1  -7.823  11.651   9.354
    3    H4*    C   1           H4*        C   1  -9.537  11.372   6.838
    4    H3*    C   1           H3*        C   1  -9.563   9.316   8.852
    5   1H2*    C   1          1H2*        C   1  -7.402   8.499   8.552
    6   2H2*    C   1          2H2*        C   1  -8.077   7.722   7.176
    7    H1*    C   1           H1*        C   1  -7.447   9.236   5.663
    8   1H4     C   1          1H4         C   1  -1.260   9.579   5.863
    9   2H4     C   1          2H4         C   1  -1.141   9.530   7.629
   10    H5     C   1           H5         C   1  -3.122   9.586   8.938
   11    H6     C   1           H6         C   1  -5.684   9.521   8.828
   12    H5T    C   1           H5T        C   1  -8.776  13.790   9.153
   13   1H5*    C   2          1H5*        C   2 -11.357   8.301   4.395
   14   2H5*    C   2          2H5*        C   2 -12.056   6.717   4.191
   15    H4*    C   2           H4*        C   2 -10.530   7.772   2.327
   16    H3*    C   2           H3*        C   2 -10.929   4.986   2.845
   17   1H2*    C   2          1H2*        C   2  -8.687   4.615   3.521
   18   2H2*    C   2          2H2*        C   2  -8.392   4.567   1.777
   19    H1*    C   2           H1*        C   2  -7.712   6.881   1.776
   20   1H4     C   2          1H4         C   2  -2.458   6.210   5.324
   21   2H4     C   2          2H4         C   2  -3.476   5.923   6.707
   22    H5     C   2           H5         C   2  -5.715   6.042   6.748
   23    H6     C   2           H6         C   2  -7.820   6.081   5.325
   24   1H5*    T   3          1H5*        T   3  -8.683   5.383  -1.670
   25   2H5*    T   3          2H5*        T   3  -9.363   3.981  -2.452
   26    H4*    T   3           H4*        T   3  -6.881   4.246  -2.686
   27    H3*    T   3           H3*        T   3  -8.044   1.660  -1.790
   28   1H2*    T   3          1H2*        T   3  -6.215   1.270  -0.296
   29   2H2*    T   3          2H2*        T   3  -5.175   1.236  -1.710
   30    H1*    T   3           H1*        T   3  -4.664   3.532  -1.487
   31    H3     T   3           H3         T   3  -1.780   3.390   1.995
   32   1H5M    T   3          1H5M        T   3  -5.386   3.157   5.036
   33   2H5M    T   3          2H5M        T   3  -5.813   1.575   4.434
   34   3H5M    T   3          3H5M        T   3  -6.822   2.960   4.026
   35    H6     T   3           H6         T   3  -6.532   2.659   1.500
   36   1H5*    A   4          1H5*        A   4  -4.218   2.172  -3.687
   37   2H5*    A   4          2H5*        A   4  -4.030   1.341  -5.219
   38    H4*    A   4           H4*        A   4  -1.831   1.465  -4.291
   39    H3*    A   4           H3*        A   4  -2.982  -1.297  -3.956
   40   1H2*    A   4          1H2*        A   4  -1.782  -1.663  -2.022
   41   2H2*    A   4          2H2*        A   4  -0.273  -1.261  -2.870
   42    H1*    A   4           H1*        A   4  -0.303   0.925  -2.213
   43    H8     A   4           H8         A   4  -3.423  -0.064  -0.266
   44   1H6     A   4          1H6         A   4   0.358  -0.160   4.787
   45   2H6     A   4          2H6         A   4  -1.270  -0.496   4.239
   46    H2     A   4           H2         A   4   2.872   0.281   1.214
   47   1H5*    T   5          1H5*        T   5   1.409  -0.824  -4.427
   48   2H5*    T   5          2H5*        T   5   1.994  -1.814  -5.759
   49    H4*    T   5           H4*        T   5   3.650  -1.769  -3.996
   50    H3*    T   5           H3*        T   5   2.423  -4.344  -4.704
   51   1H2*    T   5          1H2*        T   5   2.118  -5.076  -2.628
   52   2H2*    T   5          2H2*        T   5   3.878  -5.085  -2.331
   53    H1*    T   5           H1*        T   5   3.831  -3.070  -1.250
   54    H3     T   5           H3         T   5   1.593  -3.538   2.614
   55   1H5M    T   5          1H5M        T   5  -2.508  -3.125   0.154
   56   2H5M    T   5          2H5M        T   5  -2.272  -4.854  -0.078
   57   3H5M    T   5          3H5M        T   5  -2.096  -3.759  -1.441
   58    H6     T   5           H6         T   5   0.285  -3.643  -2.052
   59   1H5*    T   6          1H5*        T   6   6.555  -4.777  -2.884
   60   2H5*    T   6          2H5*        T   6   7.562  -5.860  -3.821
   61    H4*    T   6           H4*        T   6   7.821  -6.579  -1.573
   62    H3*    T   6           H3*        T   6   5.901  -8.328  -3.131
   63   1H2*    T   6          1H2*        T   6   4.871  -9.180  -1.371
   64   2H2*    T   6          2H2*        T   6   6.354  -9.438  -0.481
   65    H1*    T   6           H1*        T   6   6.237  -7.493   0.666
   66    H3     T   6           H3         T   6   2.504  -6.829   3.025
   67   1H5M    T   6          1H5M        T   6   1.039  -7.039  -2.264
   68   2H5M    T   6          2H5M        T   6  -0.055  -6.444  -1.023
   69   3H5M    T   6          3H5M        T   6   0.212  -8.163  -1.213
   70    H6     T   6           H6         T   6   3.399  -7.425  -1.690
   71   1H5*    C   7          1H5*        C   7   9.153 -10.321  -0.676
   72   2H5*    C   7          2H5*        C   7   9.592 -11.996  -0.997
   73    H4*    C   7           H4*        C   7   9.212 -11.624   1.434
   74    H3*    C   7           H3*        C   7   7.091 -13.321   0.099
   75   1H2*    C   7          1H2*        C   7   5.957 -13.515   2.208
   76   2H2*    C   7          2H2*        C   7   7.391 -13.118   3.120
   77    H1*    C   7           H1*        C   7   6.812 -10.951   3.167
   78   1H4     C   7          1H4         C   7   0.766  -9.987   2.185
   79   2H4     C   7          2H4         C   7   0.768 -10.443   0.478
   80    H5     C   7           H5         C   7   2.811 -11.037  -0.546
   81    H6     C   7           H6         C   7   5.277 -11.512  -0.161
   82    H3T    C   7           H3T        C   7   9.187 -13.819   1.950
   83   1H5*    G   8          1H5*        G   8  -3.781 -11.241  11.387
   84   2H5*    G   8          2H5*        G   8  -3.308 -12.936  11.207
   85    H4*    G   8           H4*        G   8  -0.916 -12.257  11.819
   86    H3*    G   8           H3*        G   8  -2.259  -9.595  12.311
   87   1H2*    G   8          1H2*        G   8  -1.333  -8.656  10.473
   88   2H2*    G   8          2H2*        G   8   0.208  -8.808  11.227
   89    H1*    G   8           H1*        G   8   0.504 -10.845   9.901
   90    H8     G   8           H8         G   8  -2.622  -9.087   8.373
   91    H1     G   8           H1         G   8   2.158 -10.520   4.340
   92   1H2     G   8          1H2         G   8   3.824 -11.332   5.433
   93   2H2     G   8          2H2         G   8   3.602 -11.869   7.079
   94    H5T    G   8           H5T        G   8  -2.550 -11.556  13.498
   95   1H5*    A   9          1H5*        A   9   2.115  -9.758  12.763
   96   2H5*    A   9          2H5*        A   9   2.853  -8.684  13.969
   97    H4*    A   9           H4*        A   9   4.068  -8.435  11.944
   98    H3*    A   9           H3*        A   9   2.966  -6.357  13.151
   99   1H2*    A   9          1H2*        A   9   1.955  -5.399  11.269
  100   2H2*    A   9          2H2*        A   9   3.603  -5.043  10.672
  101    H1*    A   9           H1*        A   9   3.697  -7.184   9.433
  102    H8     A   9           H8         A   9  -0.132  -6.212   9.835
  103   1H6     A   9          1H6         A   9   0.086  -6.477   3.549
  104   2H6     A   9          2H6         A   9  -0.952  -5.896   4.790
  105    H2     A   9           H2         A   9   4.051  -7.368   5.016
  106   1H5*    A  10          1H5*        A  10   6.962  -5.872  10.881
  107   2H5*    A  10          2H5*        A  10   8.309  -4.783  11.165
  108    H4*    A  10           H4*        A  10   7.441  -3.940   9.135
  109    H3*    A  10           H3*        A  10   6.319  -2.235  11.367
  110   1H2*    A  10          1H2*        A  10   4.739  -1.518   9.975
  111   2H2*    A  10          2H2*        A  10   5.762  -1.011   8.910
  112    H1*    A  10           H1*        A  10   5.856  -3.305   7.732
  113    H8     A  10           H8         A  10   2.647  -2.813   9.852
  114   1H6     A  10          1H6         A  10  -0.165  -3.367   4.187
  115   2H6     A  10          2H6         A  10  -0.574  -2.896   5.817
  116    H2     A  10           H2         A  10   4.046  -3.500   3.574
  117   1H5*    T  11          1H5*        T  11   8.890  -1.307   7.863
  118   2H5*    T  11          2H5*        T  11  10.022   0.012   8.102
  119    H4*    T  11           H4*        T  11   9.611  -0.480   5.736
  120    H3*    T  11           H3*        T  11   9.240   2.202   6.653
  121   1H2*    T  11          1H2*        T  11   6.985   2.430   5.920
  122   2H2*    T  11          2H2*        T  11   7.566   2.438   4.315
  123    H1*    T  11           H1*        T  11   7.163   0.138   3.929
  124    H3     T  11           H3         T  11   2.653   0.151   3.877
  125   1H5M    T  11          1H5M        T  11   2.723   1.445   8.584
  126   2H5M    T  11          2H5M        T  11   4.270   0.779   9.118
  127   3H5M    T  11          3H5M        T  11   2.923  -0.271   8.743
  128    H6     T  11           H6         T  11   6.026   0.829   7.275
  129   1H5*    A  12          1H5*        A  12   8.864   1.984   2.173
  130   2H5*    A  12          2H5*        A  12   9.732   3.259   1.347
  131    H4*    A  12           H4*        A  12   7.721   2.795   0.364
  132    H3*    A  12           H3*        A  12   7.894   5.601   1.544
  133   1H2*    A  12          1H2*        A  12   5.612   5.897   1.924
  134   2H2*    A  12          2H2*        A  12   5.260   5.643   0.288
  135    H1*    A  12           H1*        A  12   4.828   3.258   0.655
  136    H8     A  12           H8         A  12   5.315   4.101   4.272
  137   1H6     A  12          1H6         A  12  -1.046   3.625   4.317
  138   2H6     A  12          2H6         A  12   0.184   3.939   5.444
  139    H2     A  12           H2         A  12   0.281   3.384   0.284
  140   1H5*    G  13          1H5*        G  13   5.528   5.555  -2.089
  141   2H5*    G  13          2H5*        G  13   5.862   6.876  -3.240
  142    H4*    G  13           H4*        G  13   3.517   6.535  -3.089
  143    H3*    G  13           H3*        G  13   4.483   9.118  -1.973
  144   1H2*    G  13          1H2*        G  13   2.990   9.102  -0.239
  145   2H2*    G  13          2H2*        G  13   1.741   9.295  -1.431
  146    H1*    G  13           H1*        G  13   1.345   6.863  -1.379
  147    H8     G  13           H8         G  13   3.670   7.553   1.569
  148    H1     G  13           H1         G  13  -2.572   6.487   2.935
  149   1H2     G  13          1H2         G  13  -3.691   6.411   1.215
  150   2H2     G  13          2H2         G  13  -2.881   6.358  -0.320
  151   1H5*    G  14          1H5*        G  14   0.713   9.092  -4.691
  152   2H5*    G  14          2H5*        G  14   0.232  10.219  -5.901
  153    H4*    G  14           H4*        G  14  -1.431  10.513  -4.308
  154    H3*    G  14           H3*        G  14   0.670  12.637  -3.750
  155   1H2*    G  14          1H2*        G  14  -0.194  13.062  -1.675
  156   2H2*    G  14          2H2*        G  14  -1.831  13.067  -2.256
  157    H1*    G  14           H1*        G  14  -2.139  10.815  -1.861
  158    H8     G  14           H8         G  14   1.406  11.276  -0.404
  159    H1     G  14           H1         G  14  -3.080   9.415   3.771
  160   1H2     G  14          1H2         G  14  -5.034   9.417   2.792
  161   2H2     G  14          2H2         G  14  -5.101   9.571   1.041
  162    H3T    G  14           H3T        G  14  -2.034  12.713  -4.567
  163   1H5*    C  15          1H5*      NPC  15 -10.435 -10.417   3.085
  164   2H5*    C  15          2H5*      NPC  15 -10.985  -8.754   3.062
  165    H4*    C  15           H4*      NPC  15  -9.808  -9.611   5.229
  166    H3*    C  15           H3*      NPC  15  -9.767  -6.972   4.029
  167   1H2*    C  15          1H2*      NPC  15  -7.453  -6.791   3.959
  168   2H2*    C  15          2H2*      NPC  15  -7.544  -6.677   5.735
  169    H1*    C  15           H1*      NPC  15  -7.024  -8.891   6.045
  170    H3     C  15           H3       NPC  15  -2.721  -8.915   4.966
  171   1H4     C  15          1H4       NPC  15  -1.357  -8.935   2.959
  172   2H4     C  15          2H4       NPC  15  -2.203  -8.608   1.491
  173    H5     C  15           H5       NPC  15  -4.467  -8.568   1.228
  174    H6     C  15           H6       NPC  15  -6.725  -8.510   2.395
  175    H5T    C  15           H5T      NPC  15  -8.609  -9.773   1.969
  176   1H5*    T  16          1H5*        T  16  -8.761  -7.407   8.512
  177   2H5*    T  16          2H5*        T  16  -9.908  -6.398   9.356
  178    H4*    T  16           H4*        T  16  -7.979  -6.724  10.725
  179    H3*    T  16           H3*        T  16  -8.662  -4.039  10.044
  180   1H2*    T  16          1H2*        T  16  -6.821  -3.464   8.924
  181   2H2*    T  16          2H2*        T  16  -6.010  -3.331  10.464
  182    H1*    T  16           H1*        T  16  -5.041  -5.414  10.336
  183    H3     T  16           H3         T  16  -1.933  -5.653   7.153
  184   1H5M    T  16          1H5M        T  16  -6.786  -4.686   4.704
  185   2H5M    T  16          2H5M        T  16  -5.395  -5.188   3.758
  186   3H5M    T  16          3H5M        T  16  -5.559  -3.514   4.302
  187    H6     T  16           H6         T  16  -6.692  -4.683   7.156
  188   1H5*    T  17          1H5*        T  17  -5.636  -2.715  12.507
  189   2H5*    T  17          2H5*        T  17  -4.657  -4.108  11.979
  190    H4*    T  17           H4*        T  17  -3.441  -3.805  14.314
  191    H3*    T  17           H3*        T  17  -4.869  -1.552  14.790
  192   1H2*    T  17          1H2*        T  17  -4.735  -0.824  12.435
  193   2H2*    T  17          2H2*        T  17  -3.559   0.246  13.268
  194    H1*    T  17           H1*        T  17  -1.663  -1.179  12.649
  195    H3     T  17           H3         T  17  -0.251  -2.608   8.692
  196   1H5M    T  17          1H5M        T  17  -5.575  -1.614   8.180
  197   2H5M    T  17          2H5M        T  17  -4.573  -1.845   6.763
  198   3H5M    T  17          3H5M        T  17  -4.736  -0.250   7.497
  199    H6     T  17           H6         T  17  -4.525  -0.998  10.281
  200   1H5*    G  18          1H5*        G  18  -0.249  -0.906  15.836
  201   2H5*    G  18          2H5*        G  18   0.128   0.458  16.913
  202    H4*    G  18           H4*        G  18   1.823   0.311  15.058
  203    H3*    G  18           H3*        G  18   0.155   2.710  15.102
  204   1H2*    G  18          1H2*        G  18   1.112   3.289  12.801
  205   2H2*    G  18          2H2*        G  18   2.477   2.259  13.162
  206    H1*    G  18           H1*        G  18   1.300   0.676  11.794
  207    H8     G  18           H8         G  18  -1.577   2.374  13.721
  208    H1     G  18           H1         G  18  -2.447   1.614   7.371
  209   1H2     G  18          1H2         G  18  -0.963   0.880   6.407
  210   2H2     G  18          2H2         G  18   0.486   0.444   7.236
  211   1H5*    T  19          1H5*        T  19   4.372   2.564  13.753
  212   2H5*    T  19          2H5*        T  19   5.308   3.654  14.769
  213    H4*    T  19           H4*        T  19   6.449   3.588  12.820
  214    H3*    T  19           H3*        T  19   5.433   6.182  13.411
  215   1H2*    T  19          1H2*        T  19   3.846   6.176  11.794
  216   2H2*    T  19          2H2*        T  19   5.032   6.893  10.817
  217    H1*    T  19           H1*        T  19   5.811   4.814   9.927
  218    H3     T  19           H3         T  19   2.721   3.737   6.529
  219   1H5M    T  19          1H5M        T  19  -0.013   5.789  10.490
  220   2H5M    T  19          2H5M        T  19  -0.032   4.148  11.052
  221   3H5M    T  19          3H5M        T  19  -0.849   4.557   9.511
  222    H6     T  19           H6         T  19   2.292   4.816  11.210
  223   1H5*    C  20          1H5*      NPC  20   8.437   5.692   9.794
  224   2H5*    C  20          2H5*      NPC  20   9.577   7.001   9.703
  225    H4*    C  20           H4*      NPC  20   8.846   6.131   7.429
  226    H3*    C  20           H3*      NPC  20   8.540   9.006   8.143
  227   1H2*    C  20          1H2*      NPC  20   6.646   9.319   6.961
  228   2H2*    C  20          2H2*      NPC  20   7.483   8.704   5.498
  229    H1*    C  20           H1*      NPC  20   6.729   6.558   5.721
  230    H3     C  20           H3       NPC  20   2.456   7.090   4.755
  231   1H4     C  20          1H4       NPC  20   0.373   7.347   5.954
  232   2H4     C  20          2H4       NPC  20   0.548   8.075   7.486
  233    H5     C  20           H5       NPC  20   2.740   8.002   8.880
  234    H6     C  20           H6       NPC  20   5.144   7.958   8.560
  235   1H5*    C  21          1H5*      NPC  21   8.206  10.786   4.703
  236   2H5*    C  21          2H5*      NPC  21   8.306   9.161   3.830
  237    H4*    C  21           H4*      NPC  21   9.414  10.248   2.059
  238    H3*    C  21           H3*      NPC  21   9.495  12.559   3.508
  239   1H2*    C  21          1H2*      NPC  21   7.046  13.068   3.677
  240   2H2*    C  21          2H2*      NPC  21   7.232  13.722   2.027
  241    H1*    C  21           H1*      NPC  21   6.292  11.764   1.052
  242    H3     C  21           H3       NPC  21   2.168  11.143   2.438
  243   1H4     C  21          1H4       NPC  21   0.978  10.442   4.337
  244   2H4     C  21          2H4       NPC  21   1.861  10.608   5.796
  245    H5     C  21           H5       NPC  21   4.195  10.651   5.976
  246    H6     C  21           H6       NPC  21   6.350  11.080   4.752
  247    H3T    C  21           H3T      NPC  21  10.312  12.292   1.431
   
  Start of MODEL           5
 Raw file had  247 H/Q atoms
  Start of MODEL    5
    1   1H5*    C   1          1H5*        C   1  -9.120  11.491   9.500
    2   2H5*    C   1          2H5*        C   1  -7.500  10.872   9.282
    3    H4*    C   1           H4*        C   1  -9.504  11.317   7.042
    4    H3*    C   1           H3*        C   1  -9.587   9.071   8.714
    5   1H2*    C   1          1H2*        C   1  -7.470   8.165   8.320
    6   2H2*    C   1          2H2*        C   1  -8.201   7.492   6.933
    7    H1*    C   1           H1*        C   1  -7.426   9.005   5.441
    8   1H4     C   1          1H4         C   1  -1.299   9.671   5.808
    9   2H4     C   1          2H4         C   1  -1.194   9.521   7.576
   10    H5     C   1           H5         C   1  -3.165   9.279   8.837
   11    H6     C   1           H6         C   1  -5.709   9.136   8.684
   12    H5T    C   1           H5T        C   1  -7.601  13.161   9.368
   13   1H5*    C   2          1H5*        C   2 -10.815   8.715   4.194
   14   2H5*    C   2          2H5*        C   2 -11.963   7.502   3.724
   15    H4*    C   2           H4*        C   2 -10.194   8.007   2.005
   16    H3*    C   2           H3*        C   2 -10.684   5.240   2.783
   17   1H2*    C   2          1H2*        C   2  -8.461   4.667   3.081
   18   2H2*    C   2          2H2*        C   2  -8.236   4.939   1.357
   19    H1*    C   2           H1*        C   2  -7.514   7.114   1.581
   20   1H4     C   2          1H4         C   2  -2.417   6.396   5.386
   21   2H4     C   2          2H4         C   2  -3.543   5.928   6.655
   22    H5     C   2           H5         C   2  -5.692   5.808   6.537
   23    H6     C   2           H6         C   2  -7.746   5.891   5.072
   24   1H5*    T   3          1H5*        T   3  -8.488   5.743  -1.416
   25   2H5*    T   3          2H5*        T   3  -9.183   4.599  -2.564
   26    H4*    T   3           H4*        T   3  -6.726   4.630  -2.776
   27    H3*    T   3           H3*        T   3  -7.991   2.104  -1.869
   28   1H2*    T   3          1H2*        T   3  -6.143   1.457  -0.572
   29   2H2*    T   3          2H2*        T   3  -5.117   1.606  -1.988
   30    H1*    T   3           H1*        T   3  -4.488   3.829  -1.510
   31    H3     T   3           H3         T   3  -1.902   3.377   2.092
   32   1H5M    T   3          1H5M        T   3  -6.300   1.277   3.882
   33   2H5M    T   3          2H5M        T   3  -6.977   2.902   3.875
   34   3H5M    T   3          3H5M        T   3  -5.615   2.543   4.913
   35    H6     T   3           H6         T   3  -6.632   2.755   1.294
   36   1H5*    A   4          1H5*        A   4  -4.364   2.168  -4.245
   37   2H5*    A   4          2H5*        A   4  -4.199   1.009  -5.535
   38    H4*    A   4           H4*        A   4  -2.033   1.450  -4.446
   39    H3*    A   4           H3*        A   4  -3.089  -1.348  -4.091
   40   1H2*    A   4          1H2*        A   4  -1.816  -1.666  -2.144
   41   2H2*    A   4          2H2*        A   4  -0.379  -1.067  -2.970
   42    H1*    A   4           H1*        A   4  -0.629   1.101  -2.290
   43    H8     A   4           H8         A   4  -3.723  -0.037  -0.388
   44   1H6     A   4          1H6         A   4   0.053  -0.111   4.634
   45   2H6     A   4          2H6         A   4  -1.573  -0.493   4.092
   46    H2     A   4           H2         A   4   2.594   0.264   1.073
   47   1H5*    T   5          1H5*        T   5   1.402  -0.711  -4.390
   48   2H5*    T   5          2H5*        T   5   1.940  -1.645  -5.775
   49    H4*    T   5           H4*        T   5   3.709  -1.643  -4.128
   50    H3*    T   5           H3*        T   5   2.421  -4.185  -4.805
   51   1H2*    T   5          1H2*        T   5   2.127  -4.948  -2.734
   52   2H2*    T   5          2H2*        T   5   3.893  -5.011  -2.463
   53    H1*    T   5           H1*        T   5   3.888  -3.020  -1.315
   54    H3     T   5           H3         T   5   1.561  -3.510   2.517
   55   1H5M    T   5          1H5M        T   5  -2.426  -2.800  -0.214
   56   2H5M    T   5          2H5M        T   5  -2.323  -4.545  -0.053
   57   3H5M    T   5          3H5M        T   5  -1.997  -3.814  -1.610
   58    H6     T   5           H6         T   5   0.339  -3.441  -2.158
   59   1H5*    T   6          1H5*        T   6   6.530  -4.736  -2.828
   60   2H5*    T   6          2H5*        T   6   7.506  -5.714  -3.955
   61    H4*    T   6           H4*        T   6   7.934  -6.630  -1.726
   62    H3*    T   6           H3*        T   6   6.160  -8.287  -3.490
   63   1H2*    T   6          1H2*        T   6   4.880  -9.167  -1.889
   64   2H2*    T   6          2H2*        T   6   6.295  -9.671  -0.951
   65    H1*    T   6           H1*        T   6   6.321  -7.867   0.390
   66    H3     T   6           H3         T   6   2.662  -6.936   2.791
   67   1H5M    T   6          1H5M        T   6   1.132  -7.456  -2.447
   68   2H5M    T   6          2H5M        T   6   0.440  -6.090  -1.555
   69   3H5M    T   6          3H5M        T   6  -0.002  -7.723  -1.100
   70    H6     T   6           H6         T   6   3.494  -7.436  -1.909
   71   1H5*    C   7          1H5*        C   7   8.730  -9.911  -0.427
   72   2H5*    C   7          2H5*        C   7   9.734 -11.275  -0.894
   73    H4*    C   7           H4*        C   7   9.170 -11.658   1.400
   74    H3*    C   7           H3*        C   7   7.233 -13.246  -0.330
   75   1H2*    C   7          1H2*        C   7   6.025 -13.902   1.598
   76   2H2*    C   7          2H2*        C   7   7.420 -13.724   2.649
   77    H1*    C   7           H1*        C   7   6.842 -11.621   3.202
   78   1H4     C   7          1H4         C   7   0.801 -10.255   2.492
   79   2H4     C   7          2H4         C   7   0.809 -10.466   0.726
   80    H5     C   7           H5         C   7   2.851 -10.813  -0.393
   81    H6     C   7           H6         C   7   5.245 -11.473  -0.103
   82    H3T    C   7           H3T        C   7   9.240 -13.985   1.516
   83   1H5*    G   8          1H5*        G   8  -4.003 -11.354  11.678
   84   2H5*    G   8          2H5*        G   8  -3.581 -13.031  11.496
   85    H4*    G   8           H4*        G   8  -1.198 -12.468  12.202
   86    H3*    G   8           H3*        G   8  -2.377  -9.732  12.586
   87   1H2*    G   8          1H2*        G   8  -1.532  -8.943  10.627
   88   2H2*    G   8          2H2*        G   8   0.025  -9.038  11.380
   89    H1*    G   8           H1*        G   8   0.352 -11.194  10.261
   90    H8     G   8           H8         G   8  -2.719  -9.569   8.503
   91    H1     G   8           H1         G   8   2.306 -10.757   4.686
   92   1H2     G   8          1H2         G   8   3.901 -11.643   5.792
   93   2H2     G   8          2H2         G   8   3.790 -11.863   7.523
   94    H5T    G   8           H5T        G   8  -3.282 -11.505  13.877
   95   1H5*    A   9          1H5*        A   9   1.932  -9.959  12.745
   96   2H5*    A   9          2H5*        A   9   2.830  -8.921  13.864
   97    H4*    A   9           H4*        A   9   3.871  -8.664  11.799
   98    H3*    A   9           H3*        A   9   2.751  -6.510  12.854
   99   1H2*    A   9          1H2*        A   9   1.821  -5.740  10.863
  100   2H2*    A   9          2H2*        A   9   3.510  -5.436  10.273
  101    H1*    A   9           H1*        A   9   3.555  -7.764   9.290
  102    H8     A   9           H8         A   9  -0.214  -6.733   9.583
  103   1H6     A   9          1H6         A   9   0.206  -6.473   3.318
  104   2H6     A   9          2H6         A   9  -0.850  -6.055   4.633
  105    H2     A   9           H2         A   9   4.222  -7.332   4.859
  106   1H5*    A  10          1H5*        A  10   6.757  -5.989  10.800
  107   2H5*    A  10          2H5*        A  10   8.103  -4.939  11.191
  108    H4*    A  10           H4*        A  10   7.338  -4.025   9.136
  109    H3*    A  10           H3*        A  10   6.208  -2.303  11.328
  110   1H2*    A  10          1H2*        A  10   4.630  -1.564   9.844
  111   2H2*    A  10          2H2*        A  10   5.691  -1.066   8.836
  112    H1*    A  10           H1*        A  10   5.797  -3.338   7.644
  113    H8     A  10           H8         A  10   2.609  -3.043   9.775
  114   1H6     A  10          1H6         A  10  -0.261  -3.426   4.107
  115   2H6     A  10          2H6         A  10  -0.674  -3.066   5.771
  116    H2     A  10           H2         A  10   3.978  -3.425   3.492
  117   1H5*    T  11          1H5*        T  11   8.894  -1.251   7.848
  118   2H5*    T  11          2H5*        T  11   9.861   0.217   7.980
  119    H4*    T  11           H4*        T  11   9.233  -0.454   5.629
  120    H3*    T  11           H3*        T  11   8.859   2.254   6.588
  121   1H2*    T  11          1H2*        T  11   6.616   2.394   5.815
  122   2H2*    T  11          2H2*        T  11   7.172   2.350   4.214
  123    H1*    T  11           H1*        T  11   6.883  -0.007   3.971
  124    H3     T  11           H3         T  11   2.371   0.219   3.778
  125   1H5M    T  11          1H5M        T  11   2.146   1.382   8.396
  126   2H5M    T  11          2H5M        T  11   3.838   1.300   8.923
  127   3H5M    T  11          3H5M        T  11   2.891  -0.171   8.784
  128    H6     T  11           H6         T  11   5.645   0.837   7.219
  129   1H5*    A  12          1H5*        A  12   8.525   1.893   2.264
  130   2H5*    A  12          2H5*        A  12   9.425   3.067   1.357
  131    H4*    A  12           H4*        A  12   7.458   2.721   0.388
  132    H3*    A  12           H3*        A  12   7.715   5.484   1.655
  133   1H2*    A  12          1H2*        A  12   5.452   5.854   2.003
  134   2H2*    A  12          2H2*        A  12   5.110   5.661   0.380
  135    H1*    A  12           H1*        A  12   4.562   3.294   0.691
  136    H8     A  12           H8         A  12   5.084   4.090   4.341
  137   1H6     A  12          1H6         A  12  -1.305   3.573   4.405
  138   2H6     A  12          2H6         A  12  -0.100   4.074   5.485
  139    H2     A  12           H2         A  12   0.088   3.496   0.294
  140   1H5*    G  13          1H5*        G  13   5.503   5.539  -1.852
  141   2H5*    G  13          2H5*        G  13   5.894   6.628  -3.184
  142    H4*    G  13           H4*        G  13   3.567   6.505  -3.008
  143    H3*    G  13           H3*        G  13   4.588   9.125  -2.032
  144   1H2*    G  13          1H2*        G  13   3.125   9.234  -0.269
  145   2H2*    G  13          2H2*        G  13   1.870   9.417  -1.450
  146    H1*    G  13           H1*        G  13   1.409   7.003  -1.304
  147    H8     G  13           H8         G  13   3.743   7.757   1.632
  148    H1     G  13           H1         G  13  -2.501   6.709   2.971
  149   1H2     G  13          1H2         G  13  -3.593   6.664   1.181
  150   2H2     G  13          2H2         G  13  -2.737   6.529  -0.336
  151   1H5*    G  14          1H5*        G  14   0.691   9.119  -4.627
  152   2H5*    G  14          2H5*        G  14   0.249  10.253  -5.890
  153    H4*    G  14           H4*        G  14  -1.330  10.734  -4.264
  154    H3*    G  14           H3*        G  14   0.912  12.719  -3.933
  155   1H2*    G  14          1H2*        G  14   0.274  13.207  -1.751
  156   2H2*    G  14          2H2*        G  14  -1.402  13.423  -2.236
  157    H1*    G  14           H1*        G  14  -1.961  11.256  -1.875
  158    H8     G  14           H8         G  14   1.588  11.413  -0.372
  159    H1     G  14           H1         G  14  -3.053   9.809   3.748
  160   1H2     G  14          1H2         G  14  -5.007   9.880   2.695
  161   2H2     G  14          2H2         G  14  -5.059  10.119   0.956
  162    H3T    G  14           H3T        G  14  -1.826  12.927  -4.529
  163   1H5*    C  15          1H5*      NPC  15  -9.729 -10.726   3.089
  164   2H5*    C  15          2H5*      NPC  15 -10.626  -9.198   3.249
  165    H4*    C  15           H4*      NPC  15  -9.271  -9.921   5.321
  166    H3*    C  15           H3*      NPC  15  -9.593  -7.256   4.221
  167   1H2*    C  15          1H2*      NPC  15  -7.346  -6.815   3.984
  168   2H2*    C  15          2H2*      NPC  15  -7.317  -6.704   5.732
  169    H1*    C  15           H1*      NPC  15  -6.601  -8.878   6.057
  170    H3     C  15           H3       NPC  15  -2.430  -9.114   5.031
  171   1H4     C  15          1H4       NPC  15  -0.986  -9.019   3.059
  172   2H4     C  15          2H4       NPC  15  -1.710  -8.447   1.586
  173    H5     C  15           H5       NPC  15  -4.010  -8.291   1.241
  174    H6     C  15           H6       NPC  15  -6.290  -8.329   2.400
  175    H5T    C  15           H5T      NPC  15  -8.135  -9.574   2.001
  176   1H5*    T  16          1H5*        T  16  -8.716  -7.610   8.967
  177   2H5*    T  16          2H5*        T  16  -9.796  -6.528   9.722
  178    H4*    T  16           H4*        T  16  -7.738  -6.748  11.042
  179    H3*    T  16           H3*        T  16  -8.532  -4.127  10.129
  180   1H2*    T  16          1H2*        T  16  -6.677  -3.532   9.113
  181   2H2*    T  16          2H2*        T  16  -5.845  -3.421  10.625
  182    H1*    T  16           H1*        T  16  -4.919  -5.535  10.477
  183    H3     T  16           H3         T  16  -1.879  -5.972   7.227
  184   1H5M    T  16          1H5M        T  16  -6.656  -4.580   4.896
  185   2H5M    T  16          2H5M        T  16  -5.347  -5.243   3.926
  186   3H5M    T  16          3H5M        T  16  -5.305  -3.560   4.484
  187    H6     T  16           H6         T  16  -6.556  -4.750   7.317
  188   1H5*    T  17          1H5*        T  17  -5.237  -2.571  12.408
  189   2H5*    T  17          2H5*        T  17  -4.405  -4.100  12.226
  190    H4*    T  17           H4*        T  17  -3.283  -3.628  14.479
  191    H3*    T  17           H3*        T  17  -4.710  -1.397  14.900
  192   1H2*    T  17          1H2*        T  17  -4.508  -0.600  12.587
  193   2H2*    T  17          2H2*        T  17  -3.289   0.396  13.453
  194    H1*    T  17           H1*        T  17  -1.429  -1.033  12.692
  195    H3     T  17           H3         T  17  -0.286  -2.758   8.703
  196   1H5M    T  17          1H5M        T  17  -5.436  -2.024   8.100
  197   2H5M    T  17          2H5M        T  17  -4.378  -1.425   6.812
  198   3H5M    T  17          3H5M        T  17  -5.002  -0.326   8.052
  199    H6     T  17           H6         T  17  -4.414  -0.959  10.440
  200   1H5*    G  18          1H5*        G  18  -0.215  -0.746  16.104
  201   2H5*    G  18          2H5*        G  18   0.234   0.697  17.161
  202    H4*    G  18           H4*        G  18   1.806   0.387  15.187
  203    H3*    G  18           H3*        G  18   0.301   2.907  15.270
  204   1H2*    G  18          1H2*        G  18   1.277   3.371  12.914
  205   2H2*    G  18          2H2*        G  18   2.540   2.243  13.275
  206    H1*    G  18           H1*        G  18   1.231   0.663  12.013
  207    H8     G  18           H8         G  18  -1.506   2.675  13.903
  208    H1     G  18           H1         G  18  -2.506   1.655   7.586
  209   1H2     G  18          1H2         G  18  -0.803   0.614   6.726
  210   2H2     G  18          2H2         G  18   0.403   0.075   7.862
  211   1H5*    T  19          1H5*        T  19   4.432   2.603  13.722
  212   2H5*    T  19          2H5*        T  19   5.466   3.596  14.634
  213    H4*    T  19           H4*        T  19   6.364   3.617  12.461
  214    H3*    T  19           H3*        T  19   5.440   6.203  13.429
  215   1H2*    T  19          1H2*        T  19   3.688   6.278  11.939
  216   2H2*    T  19          2H2*        T  19   4.798   7.054  10.906
  217    H1*    T  19           H1*        T  19   5.523   4.939   9.942
  218    H3     T  19           H3         T  19   2.448   4.055   6.548
  219   1H5M    T  19          1H5M        T  19  -0.233   6.048  10.669
  220   2H5M    T  19          2H5M        T  19  -0.310   4.387  11.111
  221   3H5M    T  19          3H5M        T  19  -1.151   4.949   9.629
  222    H6     T  19           H6         T  19   2.031   5.049  11.260
  223   1H5*    C  20          1H5*      NPC  20   8.384   5.794   9.948
  224   2H5*    C  20          2H5*      NPC  20   9.657   6.933   9.779
  225    H4*    C  20           H4*      NPC  20   8.819   6.116   7.564
  226    H3*    C  20           H3*      NPC  20   8.460   9.042   8.172
  227   1H2*    C  20          1H2*      NPC  20   6.659   9.264   6.848
  228   2H2*    C  20          2H2*      NPC  20   7.544   8.494   5.507
  229    H1*    C  20           H1*      NPC  20   6.675   6.372   5.936
  230    H3     C  20           H3       NPC  20   2.459   7.128   4.823
  231   1H4     C  20          1H4       NPC  20   0.378   7.541   5.955
  232   2H4     C  20          2H4       NPC  20   0.520   8.352   7.451
  233    H5     C  20           H5       NPC  20   2.683   8.222   8.906
  234    H6     C  20           H6       NPC  20   5.132   8.120   8.601
  235   1H5*    C  21          1H5*      NPC  21   8.296  10.836   4.689
  236   2H5*    C  21          2H5*      NPC  21   8.260   9.209   3.885
  237    H4*    C  21           H4*      NPC  21   9.548  10.209   2.071
  238    H3*    C  21           H3*      NPC  21   9.697  12.502   3.441
  239   1H2*    C  21          1H2*      NPC  21   7.204  12.920   3.707
  240   2H2*    C  21          2H2*      NPC  21   7.364  13.770   2.126
  241    H1*    C  21           H1*      NPC  21   6.510  11.831   0.962
  242    H3     C  21           H3       NPC  21   2.310  11.677   2.309
  243   1H4     C  21          1H4       NPC  21   1.042  10.883   3.886
  244   2H4     C  21          2H4       NPC  21   1.774  10.811   5.438
  245    H5     C  21           H5       NPC  21   4.177  10.484   5.696
  246    H6     C  21           H6       NPC  21   6.419  10.837   4.557
  247    H3T    C  21           H3T      NPC  21  10.296  12.183   1.213
   
  Start of MODEL           6
 Raw file had  247 H/Q atoms
  Start of MODEL    6
    1   1H5*    C   1          1H5*        C   1  -9.131  11.758   9.336
    2   2H5*    C   1          2H5*        C   1  -7.461  11.189   9.262
    3    H4*    C   1           H4*        C   1  -9.475  11.198   6.949
    4    H3*    C   1           H3*        C   1  -9.324   9.138   8.889
    5   1H2*    C   1          1H2*        C   1  -7.219   8.234   8.420
    6   2H2*    C   1          2H2*        C   1  -7.966   7.508   7.072
    7    H1*    C   1           H1*        C   1  -7.272   8.982   5.536
    8   1H4     C   1          1H4         C   1  -1.193  10.007   5.717
    9   2H4     C   1          2H4         C   1  -1.038   9.939   7.491
   10    H5     C   1           H5         C   1  -2.968   9.497   8.787
   11    H6     C   1           H6         C   1  -5.480   9.234   8.723
   12    H5T    C   1           H5T        C   1  -7.832  13.504   8.935
   13   1H5*    C   2          1H5*        C   2 -10.875   8.520   4.550
   14   2H5*    C   2          2H5*        C   2 -11.899   7.169   4.130
   15    H4*    C   2           H4*        C   2 -10.317   8.022   2.311
   16    H3*    C   2           H3*        C   2 -10.720   5.216   2.872
   17   1H2*    C   2          1H2*        C   2  -8.487   4.716   3.286
   18   2H2*    C   2          2H2*        C   2  -8.253   4.881   1.538
   19    H1*    C   2           H1*        C   2  -7.538   7.140   1.718
   20   1H4     C   2          1H4         C   2  -2.246   6.573   5.183
   21   2H4     C   2          2H4         C   2  -3.249   6.187   6.562
   22    H5     C   2           H5         C   2  -5.441   5.941   6.589
   23    H6     C   2           H6         C   2  -7.557   5.906   5.196
   24   1H5*    T   3          1H5*        T   3  -8.589   5.772  -1.282
   25   2H5*    T   3          2H5*        T   3  -9.320   4.669  -2.447
   26    H4*    T   3           H4*        T   3  -6.850   4.658  -2.588
   27    H3*    T   3           H3*        T   3  -8.262   2.131  -1.986
   28   1H2*    T   3          1H2*        T   3  -6.571   1.431  -0.410
   29   2H2*    T   3          2H2*        T   3  -5.464   1.416  -1.774
   30    H1*    T   3           H1*        T   3  -4.764   3.653  -1.392
   31    H3     T   3           H3         T   3  -1.986   3.371   2.046
   32   1H5M    T   3          1H5M        T   3  -5.462   1.518   4.783
   33   2H5M    T   3          2H5M        T   3  -6.932   1.827   3.873
   34   3H5M    T   3          3H5M        T   3  -6.173   3.124   4.801
   35    H6     T   3           H6         T   3  -6.736   2.622   1.560
   36   1H5*    A   4          1H5*        A   4  -4.301   2.549  -3.965
   37   2H5*    A   4          2H5*        A   4  -4.128   1.596  -5.430
   38    H4*    A   4           H4*        A   4  -1.952   1.803  -4.422
   39    H3*    A   4           H3*        A   4  -3.125  -0.965  -4.196
   40   1H2*    A   4          1H2*        A   4  -1.970  -1.408  -2.228
   41   2H2*    A   4          2H2*        A   4  -0.444  -1.003  -3.024
   42    H1*    A   4           H1*        A   4  -0.472   1.178  -2.311
   43    H8     A   4           H8         A   4  -3.627   0.101  -0.428
   44   1H6     A   4          1H6         A   4   0.133  -0.077   4.617
   45   2H6     A   4          2H6         A   4  -1.516  -0.376   4.098
   46    H2     A   4           H2         A   4   2.651   0.427   1.113
   47   1H5*    T   5          1H5*        T   5   1.327  -0.420  -4.389
   48   2H5*    T   5          2H5*        T   5   2.010  -1.324  -5.734
   49    H4*    T   5           H4*        T   5   3.591  -1.430  -3.861
   50    H3*    T   5           H3*        T   5   2.248  -3.933  -4.704
   51   1H2*    T   5          1H2*        T   5   1.966  -4.775  -2.662
   52   2H2*    T   5          2H2*        T   5   3.707  -4.774  -2.355
   53    H1*    T   5           H1*        T   5   3.659  -2.771  -1.240
   54    H3     T   5           H3         T   5   1.400  -3.471   2.571
   55   1H5M    T   5          1H5M        T   5  -2.680  -2.840  -0.232
   56   2H5M    T   5          2H5M        T   5  -2.548  -4.583  -0.026
   57   3H5M    T   5          3H5M        T   5  -2.201  -3.838  -1.585
   58    H6     T   5           H6         T   5   0.103  -3.353  -2.090
   59   1H5*    T   6          1H5*        T   6   6.705  -4.649  -2.951
   60   2H5*    T   6          2H5*        T   6   7.388  -5.779  -4.115
   61    H4*    T   6           H4*        T   6   8.000  -6.556  -1.861
   62    H3*    T   6           H3*        T   6   5.975  -8.222  -3.350
   63   1H2*    T   6          1H2*        T   6   5.005  -9.116  -1.558
   64   2H2*    T   6          2H2*        T   6   6.518  -9.406  -0.716
   65    H1*    T   6           H1*        T   6   6.446  -7.575   0.506
   66    H3     T   6           H3         T   6   2.738  -6.872   2.917
   67   1H5M    T   6          1H5M        T   6   1.291  -6.774  -2.386
   68   2H5M    T   6          2H5M        T   6   0.201  -6.211  -1.100
   69   3H5M    T   6          3H5M        T   6   0.426  -7.931  -1.391
   70    H6     T   6           H6         T   6   3.636  -7.185  -1.824
   71   1H5*    C   7          1H5*        C   7   8.874  -9.760  -0.497
   72   2H5*    C   7          2H5*        C   7   9.707 -11.260  -0.846
   73    H4*    C   7           H4*        C   7   9.233 -11.246   1.514
   74    H3*    C   7           H3*        C   7   7.222 -13.004   0.066
   75   1H2*    C   7          1H2*        C   7   6.217 -13.524   2.144
   76   2H2*    C   7          2H2*        C   7   7.640 -13.083   3.059
   77    H1*    C   7           H1*        C   7   6.876 -10.998   3.357
   78   1H4     C   7          1H4         C   7   0.744 -10.147   2.689
   79   2H4     C   7          2H4         C   7   0.731 -10.378   0.935
   80    H5     C   7           H5         C   7   2.805 -10.533  -0.191
   81    H6     C   7           H6         C   7   5.273 -11.036   0.078
   82    H3T    C   7           H3T        C   7   9.392 -13.596   1.794
   83   1H5*    G   8          1H5*        G   8  -3.905 -11.503  11.821
   84   2H5*    G   8          2H5*        G   8  -3.320 -13.159  11.929
   85    H4*    G   8           H4*        G   8  -1.066 -12.412  12.523
   86    H3*    G   8           H3*        G   8  -2.284  -9.710  12.873
   87   1H2*    G   8          1H2*        G   8  -1.496  -8.956  10.869
   88   2H2*    G   8          2H2*        G   8   0.076  -8.979  11.590
   89    H1*    G   8           H1*        G   8   0.436 -11.142  10.489
   90    H8     G   8           H8         G   8  -2.745  -9.679   8.808
   91    H1     G   8           H1         G   8   2.280 -10.602   4.907
   92   1H2     G   8          1H2         G   8   3.934 -11.352   5.999
   93   2H2     G   8          2H2         G   8   3.860 -11.588   7.744
   94    H5T    G   8           H5T        G   8  -3.367 -11.270  14.064
   95   1H5*    A   9          1H5*        A   9   1.917  -9.909  12.758
   96   2H5*    A   9          2H5*        A   9   2.866  -9.018  13.939
   97    H4*    A   9           H4*        A   9   3.927  -8.585  11.914
   98    H3*    A   9           H3*        A   9   2.786  -6.470  13.039
   99   1H2*    A   9          1H2*        A   9   1.825  -5.677  11.011
  100   2H2*    A   9          2H2*        A   9   3.507  -5.327  10.481
  101    H1*    A   9           H1*        A   9   3.651  -7.626   9.439
  102    H8     A   9           H8         A   9  -0.155  -6.794   9.652
  103   1H6     A   9          1H6         A   9   0.300  -6.497   3.398
  104   2H6     A   9          2H6         A   9  -0.784  -6.170   4.696
  105    H2     A   9           H2         A   9   4.345  -7.127   4.986
  106   1H5*    A  10          1H5*        A  10   6.769  -5.994  10.874
  107   2H5*    A  10          2H5*        A  10   8.116  -4.933  11.187
  108    H4*    A  10           H4*        A  10   7.289  -4.057   9.171
  109    H3*    A  10           H3*        A  10   6.133  -2.285  11.336
  110   1H2*    A  10          1H2*        A  10   4.569  -1.609   9.829
  111   2H2*    A  10          2H2*        A  10   5.637  -1.144   8.796
  112    H1*    A  10           H1*        A  10   5.756  -3.457   7.683
  113    H8     A  10           H8         A  10   2.522  -3.035   9.755
  114   1H6     A  10          1H6         A  10  -0.277  -3.369   4.064
  115   2H6     A  10          2H6         A  10  -0.666  -2.968   5.709
  116    H2     A  10           H2         A  10   3.973  -3.404   3.463
  117   1H5*    T  11          1H5*        T  11   8.585  -1.473   7.695
  118   2H5*    T  11          2H5*        T  11   9.802  -0.236   7.972
  119    H4*    T  11           H4*        T  11   9.364  -0.588   5.598
  120    H3*    T  11           H3*        T  11   9.123   2.091   6.567
  121   1H2*    T  11          1H2*        T  11   6.836   2.397   5.956
  122   2H2*    T  11          2H2*        T  11   7.343   2.489   4.346
  123    H1*    T  11           H1*        T  11   6.963   0.207   3.825
  124    H3     T  11           H3         T  11   2.444   0.256   3.760
  125   1H5M    T  11          1H5M        T  11   2.776   1.616   8.521
  126   2H5M    T  11          2H5M        T  11   4.052   0.491   8.978
  127   3H5M    T  11          3H5M        T  11   2.461  -0.110   8.524
  128    H6     T  11           H6         T  11   5.792   0.759   7.197
  129   1H5*    A  12          1H5*        A  12   8.249   1.730   2.489
  130   2H5*    A  12          2H5*        A  12   9.287   2.596   1.389
  131    H4*    A  12           H4*        A  12   7.387   2.572   0.431
  132    H3*    A  12           H3*        A  12   7.778   5.330   1.696
  133   1H2*    A  12          1H2*        A  12   5.547   5.853   1.974
  134   2H2*    A  12          2H2*        A  12   5.287   5.689   0.305
  135    H1*    A  12           H1*        A  12   4.545   3.370   0.579
  136    H8     A  12           H8         A  12   5.057   4.015   4.252
  137   1H6     A  12          1H6         A  12  -1.323   3.644   4.359
  138   2H6     A  12          2H6         A  12  -0.098   4.011   5.455
  139    H2     A  12           H2         A  12   0.001   3.605   0.262
  140   1H5*    G  13          1H5*        G  13   5.646   5.407  -1.989
  141   2H5*    G  13          2H5*        G  13   6.101   6.629  -3.178
  142    H4*    G  13           H4*        G  13   3.776   6.446  -3.097
  143    H3*    G  13           H3*        G  13   4.790   9.025  -2.003
  144   1H2*    G  13          1H2*        G  13   3.127   9.163  -0.409
  145   2H2*    G  13          2H2*        G  13   1.997   9.298  -1.713
  146    H1*    G  13           H1*        G  13   1.522   6.890  -1.505
  147    H8     G  13           H8         G  13   3.736   7.662   1.515
  148    H1     G  13           H1         G  13  -2.528   6.827   2.774
  149   1H2     G  13          1H2         G  13  -3.627   6.804   1.021
  150   2H2     G  13          2H2         G  13  -2.839   6.655  -0.512
  151   1H5*    G  14          1H5*        G  14   1.043   8.989  -4.477
  152   2H5*    G  14          2H5*        G  14   0.528   9.865  -5.887
  153    H4*    G  14           H4*        G  14  -1.098  10.602  -4.489
  154    H3*    G  14           H3*        G  14   1.159  12.520  -3.779
  155   1H2*    G  14          1H2*        G  14   0.063  13.194  -1.884
  156   2H2*    G  14          2H2*        G  14  -1.497  13.206  -2.653
  157    H1*    G  14           H1*        G  14  -1.959  11.013  -2.070
  158    H8     G  14           H8         G  14   1.597  11.292  -0.598
  159    H1     G  14           H1         G  14  -3.002   9.891   3.659
  160   1H2     G  14          1H2         G  14  -4.952   9.978   2.710
  161   2H2     G  14          2H2         G  14  -5.057  10.099   0.970
  162    H3T    G  14           H3T        G  14  -1.361  12.781  -5.044
  163   1H5*    C  15          1H5*      NPC  15  -9.860 -10.867   3.049
  164   2H5*    C  15          2H5*      NPC  15 -10.974  -9.525   3.294
  165    H4*    C  15           H4*      NPC  15  -9.464  -9.952   5.312
  166    H3*    C  15           H3*      NPC  15  -9.729  -7.305   4.048
  167   1H2*    C  15          1H2*      NPC  15  -7.454  -6.810   4.171
  168   2H2*    C  15          2H2*      NPC  15  -7.639  -6.915   5.924
  169    H1*    C  15           H1*      NPC  15  -6.936  -9.113   6.070
  170    H3     C  15           H3       NPC  15  -2.652  -9.374   5.212
  171   1H4     C  15          1H4       NPC  15  -1.134  -9.083   3.356
  172   2H4     C  15          2H4       NPC  15  -1.852  -8.691   1.830
  173    H5     C  15           H5       NPC  15  -4.096  -8.251   1.470
  174    H6     C  15           H6       NPC  15  -6.413  -8.263   2.500
  175    H5T    C  15           H5T      NPC  15  -8.493  -9.390   1.956
  176   1H5*    T  16          1H5*        T  16  -8.977  -7.678   8.773
  177   2H5*    T  16          2H5*        T  16  -9.931  -6.423   9.547
  178    H4*    T  16           H4*        T  16  -7.821  -6.929  10.793
  179    H3*    T  16           H3*        T  16  -8.516  -4.263  10.014
  180   1H2*    T  16          1H2*        T  16  -6.645  -3.740   8.920
  181   2H2*    T  16          2H2*        T  16  -5.785  -3.673  10.439
  182    H1*    T  16           H1*        T  16  -5.030  -5.858  10.352
  183    H3     T  16           H3         T  16  -1.857  -6.347   7.191
  184   1H5M    T  16          1H5M        T  16  -6.430  -4.561   4.713
  185   2H5M    T  16          2H5M        T  16  -5.155  -5.345   3.775
  186   3H5M    T  16          3H5M        T  16  -4.954  -3.699   4.365
  187    H6     T  16           H6         T  16  -6.462  -4.877   7.088
  188   1H5*    T  17          1H5*        T  17  -5.460  -2.793  12.405
  189   2H5*    T  17          2H5*        T  17  -4.525  -4.242  12.001
  190    H4*    T  17           H4*        T  17  -3.276  -3.843  14.263
  191    H3*    T  17           H3*        T  17  -4.718  -1.612  14.785
  192   1H2*    T  17          1H2*        T  17  -4.639  -0.859  12.429
  193   2H2*    T  17          2H2*        T  17  -3.438   0.205  13.226
  194    H1*    T  17           H1*        T  17  -1.546  -1.227  12.537
  195    H3     T  17           H3         T  17  -0.301  -2.719   8.537
  196   1H5M    T  17          1H5M        T  17  -5.624  -1.812   8.163
  197   2H5M    T  17          2H5M        T  17  -4.624  -1.932   6.726
  198   3H5M    T  17          3H5M        T  17  -4.859  -0.381   7.528
  199    H6     T  17           H6         T  17  -4.540  -1.162  10.273
  200   1H5*    G  18          1H5*        G  18  -0.180  -1.050  15.813
  201   2H5*    G  18          2H5*        G  18   0.310   0.256  16.937
  202    H4*    G  18           H4*        G  18   1.927   0.109  15.007
  203    H3*    G  18           H3*        G  18   0.351   2.583  15.175
  204   1H2*    G  18          1H2*        G  18   1.296   3.178  12.837
  205   2H2*    G  18          2H2*        G  18   2.613   2.096  13.154
  206    H1*    G  18           H1*        G  18   1.350   0.550  11.791
  207    H8     G  18           H8         G  18  -1.446   2.340  13.778
  208    H1     G  18           H1         G  18  -2.557   1.560   7.456
  209   1H2     G  18          1H2         G  18  -0.999   0.744   6.478
  210   2H2     G  18          2H2         G  18   0.377   0.205   7.369
  211   1H5*    T  19          1H5*        T  19   4.561   2.471  13.529
  212   2H5*    T  19          2H5*        T  19   5.497   3.529  14.539
  213    H4*    T  19           H4*        T  19   6.470   3.740  12.391
  214    H3*    T  19           H3*        T  19   5.267   6.178  13.381
  215   1H2*    T  19          1H2*        T  19   3.590   6.178  11.864
  216   2H2*    T  19          2H2*        T  19   4.660   7.013  10.854
  217    H1*    T  19           H1*        T  19   5.547   4.987   9.855
  218    H3     T  19           H3         T  19   2.466   3.834   6.497
  219   1H5M    T  19          1H5M        T  19  -0.387   5.817  10.408
  220   2H5M    T  19          2H5M        T  19  -0.150   4.307  11.205
  221   3H5M    T  19          3H5M        T  19  -1.110   4.370   9.703
  222    H6     T  19           H6         T  19   2.031   4.881  11.192
  223   1H5*    C  20          1H5*      NPC  20   8.208   5.934  10.025
  224   2H5*    C  20          2H5*      NPC  20   9.544   7.048   9.855
  225    H4*    C  20           H4*      NPC  20   8.772   6.284   7.639
  226    H3*    C  20           H3*      NPC  20   8.347   9.182   8.268
  227   1H2*    C  20          1H2*      NPC  20   6.526   9.406   6.978
  228   2H2*    C  20          2H2*      NPC  20   7.420   8.728   5.585
  229    H1*    C  20           H1*      NPC  20   6.649   6.570   5.907
  230    H3     C  20           H3       NPC  20   2.420   7.096   4.741
  231   1H4     C  20          1H4       NPC  20   0.292   7.450   5.848
  232   2H4     C  20          2H4       NPC  20   0.366   8.104   7.414
  233    H5     C  20           H5       NPC  20   2.513   8.115   8.846
  234    H6     C  20           H6       NPC  20   4.942   8.137   8.602
  235   1H5*    C  21          1H5*      NPC  21   8.189  10.818   4.681
  236   2H5*    C  21          2H5*      NPC  21   8.271   9.157   3.919
  237    H4*    C  21           H4*      NPC  21   9.442  10.168   2.103
  238    H3*    C  21           H3*      NPC  21   9.627  12.485   3.468
  239   1H2*    C  21          1H2*      NPC  21   7.174  13.105   3.645
  240   2H2*    C  21          2H2*      NPC  21   7.407  13.737   1.975
  241    H1*    C  21           H1*      NPC  21   6.394  11.786   1.020
  242    H3     C  21           H3       NPC  21   2.244  11.351   2.398
  243   1H4     C  21          1H4       NPC  21   1.026  10.731   4.317
  244   2H4     C  21          2H4       NPC  21   1.934  10.827   5.773
  245    H5     C  21           H5       NPC  21   4.235  10.842   5.952
  246    H6     C  21           H6       NPC  21   6.372  11.165   4.756
  247    H3T    C  21           H3T      NPC  21  10.392  12.174   1.384
   
  Start of MODEL           7
 Raw file had  247 H/Q atoms
  Start of MODEL    7
    1   1H5*    C   1          1H5*        C   1  -9.022  11.343   9.618
    2   2H5*    C   1          2H5*        C   1  -7.399  10.712   9.412
    3    H4*    C   1           H4*        C   1  -9.341  11.290   7.125
    4    H3*    C   1           H3*        C   1  -9.481   9.030   8.753
    5   1H2*    C   1          1H2*        C   1  -7.310   8.208   8.431
    6   2H2*    C   1          2H2*        C   1  -8.020   7.446   7.061
    7    H1*    C   1           H1*        C   1  -7.313   8.973   5.546
    8   1H4     C   1          1H4         C   1  -1.188   9.768   5.692
    9   2H4     C   1          2H4         C   1  -1.013   9.498   7.437
   10    H5     C   1           H5         C   1  -2.946   9.087   8.726
   11    H6     C   1           H6         C   1  -5.444   8.949   8.689
   12    H5T    C   1           H5T        C   1  -7.451  12.997   9.594
   13   1H5*    C   2          1H5*        C   2 -11.369   8.175   4.303
   14   2H5*    C   2          2H5*        C   2 -11.959   6.558   4.035
   15    H4*    C   2           H4*        C   2 -10.480   7.807   2.233
   16    H3*    C   2           H3*        C   2 -10.662   4.949   2.725
   17   1H2*    C   2          1H2*        C   2  -8.411   4.618   3.164
   18   2H2*    C   2          2H2*        C   2  -8.147   4.863   1.448
   19    H1*    C   2           H1*        C   2  -7.602   7.164   1.711
   20   1H4     C   2          1H4         C   2  -2.379   6.257   5.285
   21   2H4     C   2          2H4         C   2  -3.482   5.820   6.577
   22    H5     C   2           H5         C   2  -5.618   5.740   6.566
   23    H6     C   2           H6         C   2  -7.721   5.867   5.149
   24   1H5*    T   3          1H5*        T   3  -8.408   5.555  -1.577
   25   2H5*    T   3          2H5*        T   3  -9.161   4.353  -2.557
   26    H4*    T   3           H4*        T   3  -6.711   4.361  -2.823
   27    H3*    T   3           H3*        T   3  -8.091   1.866  -1.995
   28   1H2*    T   3          1H2*        T   3  -6.353   1.258  -0.490
   29   2H2*    T   3          2H2*        T   3  -5.291   1.136  -1.880
   30    H1*    T   3           H1*        T   3  -4.520   3.365  -1.634
   31    H3     T   3           H3         T   3  -1.800   3.244   1.940
   32   1H5M    T   3          1H5M        T   3  -6.833   1.967   3.671
   33   2H5M    T   3          2H5M        T   3  -6.226   3.444   4.421
   34   3H5M    T   3          3H5M        T   3  -5.443   1.912   4.753
   35    H6     T   3           H6         T   3  -6.566   2.662   1.339
   36   1H5*    A   4          1H5*        A   4  -4.304   2.240  -3.883
   37   2H5*    A   4          2H5*        A   4  -4.047   1.408  -5.373
   38    H4*    A   4           H4*        A   4  -1.919   1.471  -4.304
   39    H3*    A   4           H3*        A   4  -3.181  -1.263  -4.088
   40   1H2*    A   4          1H2*        A   4  -2.011  -1.685  -2.087
   41   2H2*    A   4          2H2*        A   4  -0.482  -1.294  -2.893
   42    H1*    A   4           H1*        A   4  -0.520   0.912  -2.253
   43    H8     A   4           H8         A   4  -3.610  -0.153  -0.225
   44   1H6     A   4          1H6         A   4   0.359   0.163   4.673
   45   2H6     A   4          2H6         A   4  -1.289  -0.312   4.286
   46    H2     A   4           H2         A   4   2.706   0.492   1.074
   47   1H5*    T   5          1H5*        T   5   1.083  -0.659  -4.267
   48   2H5*    T   5          2H5*        T   5   1.874  -1.442  -5.641
   49    H4*    T   5           H4*        T   5   3.405  -1.556  -3.738
   50    H3*    T   5           H3*        T   5   2.158  -4.113  -4.650
   51   1H2*    T   5          1H2*        T   5   1.889  -4.997  -2.638
   52   2H2*    T   5          2H2*        T   5   3.617  -4.913  -2.301
   53    H1*    T   5           H1*        T   5   3.462  -2.917  -1.174
   54    H3     T   5           H3         T   5   1.237  -3.288   2.613
   55   1H5M    T   5          1H5M        T   5  -2.899  -3.112  -0.139
   56   2H5M    T   5          2H5M        T   5  -2.674  -4.837   0.135
   57   3H5M    T   5          3H5M        T   5  -2.392  -4.160  -1.457
   58    H6     T   5           H6         T   5  -0.074  -3.712  -2.019
   59   1H5*    T   6          1H5*        T   6   6.643  -4.712  -3.117
   60   2H5*    T   6          2H5*        T   6   7.331  -5.951  -4.206
   61    H4*    T   6           H4*        T   6   7.811  -6.566  -1.842
   62    H3*    T   6           H3*        T   6   5.935  -8.311  -3.401
   63   1H2*    T   6          1H2*        T   6   4.871  -9.179  -1.591
   64   2H2*    T   6          2H2*        T   6   6.371  -9.428  -0.723
   65    H1*    T   6           H1*        T   6   6.314  -7.515   0.400
   66    H3     T   6           H3         T   6   2.636  -6.865   2.969
   67   1H5M    T   6          1H5M        T   6   0.212  -8.124  -1.198
   68   2H5M    T   6          2H5M        T   6   1.041  -7.027  -2.285
   69   3H5M    T   6          3H5M        T   6  -0.005  -6.381  -1.025
   70    H6     T   6           H6         T   6   3.388  -7.330  -1.814
   71   1H5*    C   7          1H5*        C   7   8.741  -9.568  -0.403
   72   2H5*    C   7          2H5*        C   7   9.719 -11.009  -0.675
   73    H4*    C   7           H4*        C   7   9.150 -11.062   1.659
   74    H3*    C   7           H3*        C   7   7.123 -12.810   0.170
   75   1H2*    C   7          1H2*        C   7   6.121 -13.294   2.244
   76   2H2*    C   7          2H2*        C   7   7.537 -12.864   3.157
   77    H1*    C   7           H1*        C   7   6.787 -10.742   3.437
   78   1H4     C   7          1H4         C   7   0.644 -10.104   2.705
   79   2H4     C   7          2H4         C   7   0.665 -10.406   0.969
   80    H5     C   7           H5         C   7   2.737 -10.664  -0.158
   81    H6     C   7           H6         C   7   5.191 -11.047   0.138
   82    H3T    C   7           H3T        C   7   9.290 -13.392   1.867
   83   1H5*    G   8          1H5*        G   8  -4.160 -11.201  11.754
   84   2H5*    G   8          2H5*        G   8  -3.736 -12.906  11.647
   85    H4*    G   8           H4*        G   8  -1.387 -12.316  12.350
   86    H3*    G   8           H3*        G   8  -2.532  -9.585  12.750
   87   1H2*    G   8          1H2*        G   8  -1.654  -8.809  10.794
   88   2H2*    G   8          2H2*        G   8  -0.102  -8.907  11.532
   89    H1*    G   8           H1*        G   8   0.197 -11.069  10.387
   90    H8     G   8           H8         G   8  -2.929  -9.501   8.723
   91    H1     G   8           H1         G   8   2.178 -10.321   4.881
   92   1H2     G   8          1H2         G   8   3.802 -11.107   5.965
   93   2H2     G   8          2H2         G   8   3.710 -11.422   7.687
   94    H5T    G   8           H5T        G   8  -3.237 -11.386  13.959
   95   1H5*    A   9          1H5*        A   9   1.644  -9.863  12.673
   96   2H5*    A   9          2H5*        A   9   2.577  -9.104  13.950
   97    H4*    A   9           H4*        A   9   3.757  -8.607  12.049
   98    H3*    A   9           H3*        A   9   2.676  -6.473  13.187
   99   1H2*    A   9          1H2*        A   9   1.814  -5.527  11.206
  100   2H2*    A   9          2H2*        A   9   3.512  -5.235  10.728
  101    H1*    A   9           H1*        A   9   3.591  -7.435   9.541
  102    H8     A   9           H8         A   9  -0.226  -6.539   9.806
  103   1H6     A   9          1H6         A   9   0.229  -6.423   3.526
  104   2H6     A   9          2H6         A   9  -0.853  -5.942   4.784
  105    H2     A   9           H2         A   9   4.199  -7.175   5.100
  106   1H5*    A  10          1H5*        A  10   6.538  -6.087  10.865
  107   2H5*    A  10          2H5*        A  10   8.000  -5.148  11.143
  108    H4*    A  10           H4*        A  10   7.292  -4.239   9.124
  109    H3*    A  10           H3*        A  10   6.319  -2.321  11.224
  110   1H2*    A  10          1H2*        A  10   4.737  -1.623   9.739
  111   2H2*    A  10          2H2*        A  10   5.812  -1.184   8.700
  112    H1*    A  10           H1*        A  10   5.816  -3.514   7.619
  113    H8     A  10           H8         A  10   2.667  -3.023   9.706
  114   1H6     A  10          1H6         A  10  -0.270  -3.212   4.057
  115   2H6     A  10          2H6         A  10  -0.578  -2.883   5.732
  116    H2     A  10           H2         A  10   3.980  -3.348   3.395
  117   1H5*    T  11          1H5*        T  11   9.283  -1.322   7.617
  118   2H5*    T  11          2H5*        T  11  10.130   0.166   7.912
  119    H4*    T  11           H4*        T  11   9.667  -0.413   5.470
  120    H3*    T  11           H3*        T  11   9.249   2.256   6.460
  121   1H2*    T  11          1H2*        T  11   6.948   2.396   5.790
  122   2H2*    T  11          2H2*        T  11   7.495   2.429   4.160
  123    H1*    T  11           H1*        T  11   7.235   0.085   3.780
  124    H3     T  11           H3         T  11   2.664   0.346   3.736
  125   1H5M    T  11          1H5M        T  11   2.585   1.260   8.347
  126   2H5M    T  11          2H5M        T  11   4.266   1.122   8.874
  127   3H5M    T  11          3H5M        T  11   3.263  -0.320   8.632
  128    H6     T  11           H6         T  11   6.059   0.724   7.141
  129   1H5*    A  12          1H5*        A  12   8.878   2.148   1.929
  130   2H5*    A  12          2H5*        A  12   9.614   3.560   1.208
  131    H4*    A  12           H4*        A  12   7.640   2.962   0.238
  132    H3*    A  12           H3*        A  12   7.794   5.694   1.581
  133   1H2*    A  12          1H2*        A  12   5.513   5.988   1.944
  134   2H2*    A  12          2H2*        A  12   5.189   5.830   0.293
  135    H1*    A  12           H1*        A  12   4.749   3.427   0.519
  136    H8     A  12           H8         A  12   5.210   4.081   4.220
  137   1H6     A  12          1H6         A  12  -1.162   3.635   4.245
  138   2H6     A  12          2H6         A  12   0.094   3.945   5.345
  139    H2     A  12           H2         A  12   0.183   3.624   0.134
  140   1H5*    G  13          1H5*        G  13   5.517   5.718  -1.831
  141   2H5*    G  13          2H5*        G  13   5.952   6.753  -3.205
  142    H4*    G  13           H4*        G  13   3.633   6.765  -3.098
  143    H3*    G  13           H3*        G  13   4.686   9.283  -1.967
  144   1H2*    G  13          1H2*        G  13   3.098   9.386  -0.265
  145   2H2*    G  13          2H2*        G  13   1.931   9.594  -1.524
  146    H1*    G  13           H1*        G  13   1.414   7.186  -1.405
  147    H8     G  13           H8         G  13   3.724   7.818   1.575
  148    H1     G  13           H1         G  13  -2.507   6.685   2.876
  149   1H2     G  13          1H2         G  13  -3.613   6.688   1.158
  150   2H2     G  13          2H2         G  13  -2.849   6.596  -0.393
  151   1H5*    G  14          1H5*        G  14   1.041   9.581  -4.936
  152   2H5*    G  14          2H5*        G  14   0.664  10.881  -6.011
  153    H4*    G  14           H4*        G  14  -1.103  10.796  -4.445
  154    H3*    G  14           H3*        G  14   0.718  13.146  -3.830
  155   1H2*    G  14          1H2*        G  14  -0.220  13.407  -1.755
  156   2H2*    G  14          2H2*        G  14  -1.841  13.285  -2.357
  157    H1*    G  14           H1*        G  14  -1.924  10.963  -2.066
  158    H8     G  14           H8         G  14   1.530  11.594  -0.514
  159    H1     G  14           H1         G  14  -2.988   9.752   3.665
  160   1H2     G  14          1H2         G  14  -4.957   9.804   2.669
  161   2H2     G  14          2H2         G  14  -5.004   9.842   0.909
  162    H3T    G  14           H3T        G  14  -1.962  12.874  -4.764
  163   1H5*    C  15          1H5*      NPC  15  -9.684 -11.396   3.326
  164   2H5*    C  15          2H5*      NPC  15 -11.008 -10.212   3.492
  165    H4*    C  15           H4*      NPC  15  -9.541 -10.306   5.537
  166    H3*    C  15           H3*      NPC  15 -10.126  -7.786   4.188
  167   1H2*    C  15          1H2*      NPC  15  -7.959  -7.103   3.998
  168   2H2*    C  15          2H2*      NPC  15  -8.005  -6.912   5.730
  169    H1*    C  15           H1*      NPC  15  -7.067  -8.995   6.207
  170    H3     C  15           H3       NPC  15  -2.798  -9.004   5.268
  171   1H4     C  15          1H4       NPC  15  -1.329  -8.864   3.347
  172   2H4     C  15          2H4       NPC  15  -2.091  -8.413   1.868
  173    H5     C  15           H5       NPC  15  -4.355  -8.438   1.473
  174    H6     C  15           H6       NPC  15  -6.665  -8.566   2.530
  175    H5T    C  15           H5T      NPC  15  -8.531  -9.799   2.165
  176   1H5*    T  16          1H5*        T  16  -9.048  -8.015   8.867
  177   2H5*    T  16          2H5*        T  16 -10.075  -6.845   9.694
  178    H4*    T  16           H4*        T  16  -7.851  -7.173  10.863
  179    H3*    T  16           H3*        T  16  -8.760  -4.542  10.065
  180   1H2*    T  16          1H2*        T  16  -6.892  -3.913   8.968
  181   2H2*    T  16          2H2*        T  16  -6.058  -3.849  10.514
  182    H1*    T  16           H1*        T  16  -5.214  -5.996  10.366
  183    H3     T  16           H3         T  16  -1.928  -5.978   7.282
  184   1H5M    T  16          1H5M        T  16  -6.590  -5.159   4.595
  185   2H5M    T  16          2H5M        T  16  -5.035  -5.239   3.779
  186   3H5M    T  16          3H5M        T  16  -5.563  -3.726   4.503
  187    H6     T  16           H6         T  16  -6.685  -5.069   7.125
  188   1H5*    T  17          1H5*        T  17  -5.082  -3.074  12.119
  189   2H5*    T  17          2H5*        T  17  -4.358  -4.692  12.165
  190    H4*    T  17           H4*        T  17  -3.262  -4.062  14.348
  191    H3*    T  17           H3*        T  17  -4.768  -1.883  14.775
  192   1H2*    T  17          1H2*        T  17  -4.573  -1.039  12.473
  193   2H2*    T  17          2H2*        T  17  -3.379  -0.009  13.325
  194    H1*    T  17           H1*        T  17  -1.483  -1.416  12.604
  195    H3     T  17           H3         T  17  -0.193  -2.742   8.580
  196   1H5M    T  17          1H5M        T  17  -5.451  -2.319   8.012
  197   2H5M    T  17          2H5M        T  17  -4.441  -1.690   6.718
  198   3H5M    T  17          3H5M        T  17  -5.066  -0.610   7.955
  199    H6     T  17           H6         T  17  -4.512  -1.398  10.321
  200   1H5*    G  18          1H5*        G  18  -0.219  -1.062  15.714
  201   2H5*    G  18          2H5*        G  18   0.129   0.333  16.834
  202    H4*    G  18           H4*        G  18   1.861   0.123  14.986
  203    H3*    G  18           H3*        G  18   0.286   2.601  15.037
  204   1H2*    G  18          1H2*        G  18   1.284   3.143  12.716
  205   2H2*    G  18          2H2*        G  18   2.611   2.079  13.092
  206    H1*    G  18           H1*        G  18   1.382   0.512  11.709
  207    H8     G  18           H8         G  18  -1.487   2.279  13.633
  208    H1     G  18           H1         G  18  -2.368   1.476   7.278
  209   1H2     G  18          1H2         G  18  -0.738   0.554   6.382
  210   2H2     G  18          2H2         G  18   0.629   0.191   7.375
  211   1H5*    T  19          1H5*        T  19   4.521   2.467  13.592
  212   2H5*    T  19          2H5*        T  19   5.467   3.562  14.580
  213    H4*    T  19           H4*        T  19   6.483   3.661  12.456
  214    H3*    T  19           H3*        T  19   5.232   6.130  13.379
  215   1H2*    T  19          1H2*        T  19   3.762   6.267  11.660
  216   2H2*    T  19          2H2*        T  19   4.994   6.992  10.799
  217    H1*    T  19           H1*        T  19   5.759   4.898   9.831
  218    H3     T  19           H3         T  19   2.675   3.806   6.395
  219   1H5M    T  19          1H5M        T  19  -0.287   5.792  10.057
  220   2H5M    T  19          2H5M        T  19   0.041   4.436  11.095
  221   3H5M    T  19          3H5M        T  19  -0.868   4.176   9.598
  222    H6     T  19           H6         T  19   2.233   4.826  11.115
  223   1H5*    C  20          1H5*      NPC  20   8.493   6.009  10.065
  224   2H5*    C  20          2H5*      NPC  20   9.539   7.431  10.014
  225    H4*    C  20           H4*      NPC  20   9.011   6.413   7.753
  226    H3*    C  20           H3*      NPC  20   8.431   9.294   8.247
  227   1H2*    C  20          1H2*      NPC  20   6.659   9.384   6.811
  228   2H2*    C  20          2H2*      NPC  20   7.678   8.609   5.523
  229    H1*    C  20           H1*      NPC  20   6.876   6.490   5.912
  230    H3     C  20           H3       NPC  20   2.605   7.127   4.695
  231   1H4     C  20          1H4       NPC  20   0.489   7.413   5.803
  232   2H4     C  20          2H4       NPC  20   0.591   8.137   7.332
  233    H5     C  20           H5       NPC  20   2.744   8.084   8.815
  234    H6     C  20           H6       NPC  20   5.157   8.110   8.544
  235   1H5*    C  21          1H5*      NPC  21   8.206  10.625   4.789
  236   2H5*    C  21          2H5*      NPC  21   8.549   9.136   3.804
  237    H4*    C  21           H4*      NPC  21   9.640  10.500   2.200
  238    H3*    C  21           H3*      NPC  21   9.449  12.674   3.930
  239   1H2*    C  21          1H2*      NPC  21   7.010  13.286   3.587
  240   2H2*    C  21          2H2*      NPC  21   7.529  13.847   1.966
  241    H1*    C  21           H1*      NPC  21   6.575  11.859   0.961
  242    H3     C  21           H3       NPC  21   2.303  11.497   2.301
  243   1H4     C  21          1H4       NPC  21   1.069  10.908   4.202
  244   2H4     C  21          2H4       NPC  21   2.020  10.837   5.627
  245    H5     C  21           H5       NPC  21   4.273  10.787   5.800
  246    H6     C  21           H6       NPC  21   6.434  11.212   4.647
  247    H3T    C  21           H3T      NPC  21  10.731  12.715   2.297
   
  Start of MODEL           8
 Raw file had  247 H/Q atoms
  Start of MODEL    8
    1   1H5*    C   1          1H5*        C   1  -8.380  12.632   8.347
    2   2H5*    C   1          2H5*        C   1  -9.624  11.626   9.072
    3    H4*    C   1           H4*        C   1  -9.311  11.215   6.610
    4    H3*    C   1           H3*        C   1  -9.498   9.019   8.360
    5   1H2*    C   1          1H2*        C   1  -7.448   7.644   7.141
    6   2H2*    C   1          2H2*        C   1  -7.220   8.602   8.568
    7    H1*    C   1           H1*        C   1  -6.989   9.202   5.641
    8   1H4     C   1          1H4         C   1  -0.767   9.800   7.676
    9   2H4     C   1          2H4         C   1  -0.990  10.095   5.934
   10    H5     C   1           H5         C   1  -2.760   9.189   8.945
   11    H6     C   1           H6         C   1  -5.280   9.067   8.830
   12    H5T    C   1           H5T        C   1  -7.909  10.270   9.847
   13   1H5*    C   2          1H5*        C   2 -10.674   8.967   3.984
   14   2H5*    C   2          2H5*        C   2 -11.727   7.865   3.132
   15    H4*    C   2           H4*        C   2  -9.717   7.875   1.890
   16    H3*    C   2           H3*        C   2  -9.948   5.365   3.553
   17   1H2*    C   2          1H2*        C   2  -7.811   5.161   1.521
   18   2H2*    C   2          2H2*        C   2  -7.765   4.885   3.268
   19    H1*    C   2           H1*        C   2  -7.203   7.426   1.760
   20   1H4     C   2          1H4         C   2  -2.749   6.429   6.461
   21   2H4     C   2          2H4         C   2  -1.843   6.954   5.037
   22    H5     C   2           H5         C   2  -5.012   6.171   6.549
   23    H6     C   2           H6         C   2  -7.111   6.171   5.186
   24   1H5*    T   3          1H5*        T   3  -9.140   4.964  -0.998
   25   2H5*    T   3          2H5*        T   3  -9.804   3.489  -1.667
   26    H4*    T   3           H4*        T   3  -7.447   4.062  -2.461
   27    H3*    T   3           H3*        T   3  -8.186   1.391  -1.475
   28   1H2*    T   3          1H2*        T   3  -5.366   1.172  -1.607
   29   2H2*    T   3          2H2*        T   3  -6.312   1.153  -0.102
   30    H1*    T   3           H1*        T   3  -4.849   3.439  -1.374
   31    H3     T   3           H3         T   3  -2.031   3.434   2.117
   32   1H5M    T   3          1H5M        T   3  -5.667   2.869   5.176
   33   2H5M    T   3          2H5M        T   3  -7.079   2.835   4.126
   34   3H5M    T   3          3H5M        T   3  -6.148   1.365   4.400
   35    H6     T   3           H6         T   3  -6.762   2.593   1.586
   36   1H5*    A   4          1H5*        A   4  -4.557   2.015  -3.932
   37   2H5*    A   4          2H5*        A   4  -4.267   0.882  -5.262
   38    H4*    A   4           H4*        A   4  -2.162   1.471  -4.157
   39    H3*    A   4           H3*        A   4  -3.047  -1.394  -3.932
   40   1H2*    A   4          1H2*        A   4  -0.402  -1.132  -2.700
   41   2H2*    A   4          2H2*        A   4  -1.909  -1.686  -1.935
   42    H1*    A   4           H1*        A   4  -0.674   1.025  -2.052
   43    H8     A   4           H8         A   4  -3.708  -0.161  -0.146
   44   1H6     A   4          1H6         A   4   0.082  -0.193   4.896
   45   2H6     A   4          2H6         A   4  -1.561  -0.490   4.406
   46    H2     A   4           H2         A   4   2.547   0.291   1.320
   47   1H5*    T   5          1H5*        T   5   1.428  -0.534  -4.198
   48   2H5*    T   5          2H5*        T   5   2.092  -1.539  -5.494
   49    H4*    T   5           H4*        T   5   3.644  -1.482  -3.625
   50    H3*    T   5           H3*        T   5   2.394  -4.013  -4.484
   51   1H2*    T   5          1H2*        T   5   3.857  -4.800  -2.127
   52   2H2*    T   5          2H2*        T   5   2.120  -4.905  -2.451
   53    H1*    T   5           H1*        T   5   3.674  -2.870  -0.946
   54    H3     T   5           H3         T   5   1.154  -3.542   2.718
   55   1H5M    T   5          1H5M        T   5  -2.464  -4.949  -0.194
   56   2H5M    T   5          2H5M        T   5  -2.752  -3.215  -0.147
   57   3H5M    T   5          3H5M        T   5  -2.163  -3.966  -1.629
   58    H6     T   5           H6         T   5   0.213  -3.540  -2.019
   59   1H5*    T   6          1H5*        T   6   6.873  -4.629  -3.462
   60   2H5*    T   6          2H5*        T   6   7.635  -5.963  -4.322
   61    H4*    T   6           H4*        T   6   7.872  -6.342  -1.906
   62    H3*    T   6           H3*        T   6   5.897  -8.180  -3.283
   63   1H2*    T   6          1H2*        T   6   6.651  -9.044  -0.565
   64   2H2*    T   6          2H2*        T   6   5.120  -8.979  -1.382
   65    H1*    T   6           H1*        T   6   6.406  -6.928   0.361
   66    H3     T   6           H3         T   6   2.696  -6.835   2.836
   67   1H5M    T   6          1H5M        T   6   0.423  -8.201  -1.412
   68   2H5M    T   6          2H5M        T   6   0.032  -6.501  -1.168
   69   3H5M    T   6          3H5M        T   6   1.157  -6.984  -2.442
   70    H6     T   6           H6         T   6   3.534  -7.196  -1.905
   71   1H5*    C   7          1H5*        C   7   9.011  -9.554  -0.616
   72   2H5*    C   7          2H5*        C   7   9.863 -11.058  -0.924
   73    H4*    C   7           H4*        C   7   9.311 -10.872   1.482
   74    H3*    C   7           H3*        C   7   7.761 -12.958  -0.086
   75   1H2*    C   7          1H2*        C   7   7.513 -13.031   2.898
   76   2H2*    C   7          2H2*        C   7   6.304 -13.372   1.676
   77    H1*    C   7           H1*        C   7   6.898 -10.883   3.117
   78   1H4     C   7          1H4         C   7   0.794 -10.234   0.565
   79   2H4     C   7          2H4         C   7   0.837 -10.031   2.327
   80    H5     C   7           H5         C   7   2.899 -10.604  -0.566
   81    H6     C   7           H6         C   7   5.354 -11.072  -0.223
   82    H3T    C   7           H3T        C   7   8.982 -14.309   1.191
   83   1H5*    G   8          1H5*        G   8  -3.814 -12.250  12.540
   84   2H5*    G   8          2H5*        G   8  -3.983 -11.754  10.860
   85    H4*    G   8           H4*        G   8  -1.343 -12.917  11.891
   86    H3*    G   8           H3*        G   8  -2.357 -10.155  12.383
   87   1H2*    G   8          1H2*        G   8   0.050  -9.436  11.248
   88   2H2*    G   8          2H2*        G   8  -1.485  -9.310  10.475
   89    H1*    G   8           H1*        G   8   0.408 -11.480  10.018
   90    H8     G   8           H8         G   8  -2.738  -9.895   8.416
   91    H1     G   8           H1         G   8   2.315 -10.546   4.507
   92   1H2     G   8          1H2         G   8   3.807 -11.815   7.304
   93   2H2     G   8          2H2         G   8   4.012 -11.318   5.622
   94    H5T    G   8           H5T        G   8  -4.662 -13.844  11.073
   95   1H5*    A   9          1H5*        A   9   2.022 -10.239  12.519
   96   2H5*    A   9          2H5*        A   9   2.699  -9.335  13.865
   97    H4*    A   9           H4*        A   9   3.959  -8.716  11.987
   98    H3*    A   9           H3*        A   9   2.675  -6.726  13.089
   99   1H2*    A   9          1H2*        A   9   3.423  -5.379  10.665
  100   2H2*    A   9          2H2*        A   9   1.769  -5.869  11.101
  101    H1*    A   9           H1*        A   9   3.809  -7.524   9.479
  102    H8     A   9           H8         A   9  -0.070  -7.032   9.664
  103   1H6     A   9          1H6         A   9   0.269  -6.719   3.430
  104   2H6     A   9          2H6         A   9  -0.720  -6.248   4.763
  105    H2     A   9           H2         A   9   4.389  -7.208   4.936
  106   1H5*    A  10          1H5*        A  10   6.441  -6.241  10.710
  107   2H5*    A  10          2H5*        A  10   7.909  -5.321  10.874
  108    H4*    A  10           H4*        A  10   7.029  -4.277   8.965
  109    H3*    A  10           H3*        A  10   6.100  -2.510  11.230
  110   1H2*    A  10          1H2*        A  10   5.402  -1.262   8.840
  111   2H2*    A  10          2H2*        A  10   4.416  -1.839   9.923
  112    H1*    A  10           H1*        A  10   5.458  -3.498   7.608
  113    H8     A  10           H8         A  10   2.366  -3.196   9.869
  114   1H6     A  10          1H6         A  10  -0.653  -3.560   4.251
  115   2H6     A  10          2H6         A  10  -1.035  -3.111   5.886
  116    H2     A  10           H2         A  10   3.606  -3.444   3.574
  117   1H5*    T  11          1H5*        T  11   8.857  -1.567   7.504
  118   2H5*    T  11          2H5*        T  11   9.896  -0.174   7.855
  119    H4*    T  11           H4*        T  11   9.262  -0.423   5.413
  120    H3*    T  11           H3*        T  11   9.035   2.060   6.869
  121   1H2*    T  11          1H2*        T  11   7.290   2.765   4.721
  122   2H2*    T  11          2H2*        T  11   6.787   2.434   6.313
  123    H1*    T  11           H1*        T  11   6.845   0.490   3.964
  124    H3     T  11           H3         T  11   2.358   0.176   3.987
  125   1H5M    T  11          1H5M        T  11   3.936   0.483   9.227
  126   2H5M    T  11          2H5M        T  11   2.564   1.467   8.695
  127   3H5M    T  11          3H5M        T  11   2.424  -0.271   8.696
  128    H6     T  11           H6         T  11   5.732   0.741   7.396
  129   1H5*    A  12          1H5*        A  12   8.454   1.723   2.810
  130   2H5*    A  12          2H5*        A  12   9.421   2.627   1.682
  131    H4*    A  12           H4*        A  12   7.440   2.209   0.738
  132    H3*    A  12           H3*        A  12   7.830   5.100   1.552
  133   1H2*    A  12          1H2*        A  12   5.273   5.250   0.212
  134   2H2*    A  12          2H2*        A  12   5.570   5.647   1.838
  135    H1*    A  12           H1*        A  12   4.631   2.995   0.787
  136    H8     A  12           H8         A  12   5.086   4.024   4.302
  137   1H6     A  12          1H6         A  12  -1.344   3.922   4.391
  138   2H6     A  12          2H6         A  12  -0.131   4.185   5.529
  139    H2     A  12           H2         A  12   0.033   3.553   0.352
  140   1H5*    G  13          1H5*        G  13   5.617   4.696  -2.042
  141   2H5*    G  13          2H5*        G  13   6.192   5.698  -3.380
  142    H4*    G  13           H4*        G  13   3.768   5.691  -3.392
  143    H3*    G  13           H3*        G  13   5.098   8.278  -2.708
  144   1H2*    G  13          1H2*        G  13   2.460   9.022  -2.247
  145   2H2*    G  13          2H2*        G  13   3.693   8.739  -1.058
  146    H1*    G  13           H1*        G  13   1.638   6.718  -1.893
  147    H8     G  13           H8         G  13   4.010   7.501   1.032
  148    H1     G  13           H1         G  13  -2.212   6.940   2.596
  149   1H2     G  13          1H2         G  13  -2.707   6.423  -0.674
  150   2H2     G  13          2H2         G  13  -3.413   6.932   0.825
  151   1H5*    G  14          1H5*        G  14   1.140   8.388  -4.220
  152   2H5*    G  14          2H5*        G  14   0.900   9.286  -5.707
  153    H4*    G  14           H4*        G  14  -1.036   9.845  -4.448
  154    H3*    G  14           H3*        G  14   1.056  12.003  -4.118
  155   1H2*    G  14          1H2*        G  14  -1.141  12.829  -2.435
  156   2H2*    G  14          2H2*        G  14   0.524  12.487  -1.990
  157    H1*    G  14           H1*        G  14  -1.853  10.730  -1.935
  158    H8     G  14           H8         G  14   1.753  10.478  -0.566
  159    H1     G  14           H1         G  14  -2.848  10.277   3.907
  160   1H2     G  14          1H2         G  14  -4.942  10.753   1.182
  161   2H2     G  14          2H2         G  14  -4.828  10.491   2.923
  162    H3T    G  14           H3T        G  14  -0.513  12.008  -5.751
  163   1H5*    C  15          1H5*      NPC  15  -8.831 -10.327   2.548
  164   2H5*    C  15          2H5*      NPC  15 -10.450  -9.654   2.707
  165    H4*    C  15           H4*      NPC  15  -9.713  -9.799   4.943
  166    H3*    C  15           H3*      NPC  15  -9.983  -7.090   4.132
  167   1H2*    C  15          1H2*      NPC  15  -7.774  -6.318   5.408
  168   2H2*    C  15          2H2*      NPC  15  -7.744  -6.696   3.667
  169    H1*    C  15           H1*      NPC  15  -6.941  -8.354   6.087
  170    H3     C  15           H3       NPC  15  -2.704  -9.035   5.138
  171   1H4     C  15          1H4       NPC  15  -2.026  -8.758   1.689
  172   2H4     C  15          2H4       NPC  15  -1.224  -9.110   3.168
  173    H5     C  15           H5       NPC  15  -4.235  -8.457   1.326
  174    H6     C  15           H6       NPC  15  -6.513  -8.260   2.382
  175    H5T    C  15           H5T      NPC  15  -9.448  -7.589   2.270
  176   1H5*    T  16          1H5*        T  16  -8.847  -7.628   8.670
  177   2H5*    T  16          2H5*        T  16  -9.906  -6.656   9.676
  178    H4*    T  16           H4*        T  16  -7.797  -7.006  10.801
  179    H3*    T  16           H3*        T  16  -8.524  -4.268  10.347
  180   1H2*    T  16          1H2*        T  16  -5.816  -3.676  10.478
  181   2H2*    T  16          2H2*        T  16  -6.782  -3.836   8.993
  182    H1*    T  16           H1*        T  16  -5.037  -5.802  10.448
  183    H3     T  16           H3         T  16  -1.724  -6.104   7.330
  184   1H5M    T  16          1H5M        T  16  -4.980  -5.717   3.880
  185   2H5M    T  16          2H5M        T  16  -6.317  -4.840   4.637
  186   3H5M    T  16          3H5M        T  16  -4.817  -4.018   4.210
  187    H6     T  16           H6         T  16  -6.414  -4.947   7.187
  188   1H5*    T  17          1H5*        T  17  -5.058  -2.874  12.278
  189   2H5*    T  17          2H5*        T  17  -4.771  -4.551  12.804
  190    H4*    T  17           H4*        T  17  -3.534  -3.738  14.750
  191    H3*    T  17           H3*        T  17  -4.834  -1.421  15.047
  192   1H2*    T  17          1H2*        T  17  -3.360   0.232  13.476
  193   2H2*    T  17          2H2*        T  17  -4.637  -0.787  12.728
  194    H1*    T  17           H1*        T  17  -1.582  -1.279  12.797
  195    H3     T  17           H3         T  17  -0.515  -2.768   8.717
  196   1H5M    T  17          1H5M        T  17  -4.724  -1.095   7.109
  197   2H5M    T  17          2H5M        T  17  -5.527  -2.403   7.953
  198   3H5M    T  17          3H5M        T  17  -5.600  -0.758   8.581
  199    H6     T  17           H6         T  17  -4.638  -1.162  10.645
  200   1H5*    G  18          1H5*        G  18  -0.213  -1.018  15.562
  201   2H5*    G  18          2H5*        G  18   0.372   0.256  16.686
  202    H4*    G  18           H4*        G  18   1.934   0.101  14.744
  203    H3*    G  18           H3*        G  18   0.434   2.570  14.985
  204   1H2*    G  18          1H2*        G  18   2.635   2.139  12.893
  205   2H2*    G  18          2H2*        G  18   1.269   3.206  12.654
  206    H1*    G  18           H1*        G  18   1.339   0.626  11.546
  207    H8     G  18           H8         G  18  -1.377   2.316  13.674
  208    H1     G  18           H1         G  18  -2.722   1.742   7.372
  209   1H2     G  18          1H2         G  18   0.129   0.570   6.985
  210   2H2     G  18          2H2         G  18  -1.413   0.982   6.338
  211   1H5*    T  19          1H5*        T  19   5.012   2.818  13.678
  212   2H5*    T  19          2H5*        T  19   5.754   4.111  14.608
  213    H4*    T  19           H4*        T  19   6.558   4.254  12.339
  214    H3*    T  19           H3*        T  19   5.027   6.593  13.287
  215   1H2*    T  19          1H2*        T  19   4.751   7.248  10.607
  216   2H2*    T  19          2H2*        T  19   3.575   6.611  11.617
  217    H1*    T  19           H1*        T  19   5.554   5.155   9.835
  218    H3     T  19           H3         T  19   2.412   3.926   6.570
  219   1H5M    T  19          1H5M        T  19  -0.495   5.791  10.502
  220   2H5M    T  19          2H5M        T  19  -1.075   4.256   9.830
  221   3H5M    T  19          3H5M        T  19  -0.119   4.308  11.322
  222    H6     T  19           H6         T  19   2.097   5.073  11.257
  223   1H5*    C  20          1H5*      NPC  20   8.104   6.219   9.651
  224   2H5*    C  20          2H5*      NPC  20   9.136   7.626   9.854
  225    H4*    C  20           H4*      NPC  20   9.120   6.940   7.479
  226    H3*    C  20           H3*      NPC  20   8.112   9.600   8.309
  227   1H2*    C  20          1H2*      NPC  20   7.558   9.461   5.469
  228   2H2*    C  20          2H2*      NPC  20   6.450   9.788   6.837
  229    H1*    C  20           H1*      NPC  20   6.927   7.216   5.338
  230    H3     C  20           H3       NPC  20   2.650   7.175   4.399
  231   1H4     C  20          1H4       NPC  20   0.580   7.789   7.213
  232   2H4     C  20          2H4       NPC  20   0.513   7.372   5.566
  233    H5     C  20           H5       NPC  20   2.673   8.031   8.529
  234    H6     C  20           H6       NPC  20   5.114   8.181   8.318
  235   1H5*    C  21          1H5*      NPC  21   9.011   9.891   4.155
  236   2H5*    C  21          2H5*      NPC  21  10.326  11.026   3.952
  237    H4*    C  21           H4*      NPC  21   9.025  11.430   2.153
  238    H3*    C  21           H3*      NPC  21   8.598  13.562   4.066
  239   1H2*    C  21          1H2*      NPC  21   6.711  13.945   1.722
  240   2H2*    C  21          2H2*      NPC  21   6.192  13.722   3.430
  241    H1*    C  21           H1*      NPC  21   6.135  11.690   1.198
  242    H3     C  21           H3       NPC  21   2.034  11.118   2.807
  243   1H4     C  21          1H4       NPC  21   1.933  11.021   6.308
  244   2H4     C  21          2H4       NPC  21   0.959  10.743   4.911
  245    H5     C  21           H5       NPC  21   4.173  11.391   6.332
  246    H6     C  21           H6       NPC  21   6.319  11.690   4.802
  247    H3T    C  21           H3T      NPC  21   8.961  14.804   2.411
   
  Start of MODEL           9
 Raw file had  247 H/Q atoms
  Start of MODEL    9
    1   1H5*    C   1          1H5*        C   1  -8.779  12.328   8.600
    2   2H5*    C   1          2H5*        C   1  -9.734  11.062   9.323
    3    H4*    C   1           H4*        C   1  -9.462  10.916   6.779
    4    H3*    C   1           H3*        C   1  -9.534   8.622   8.432
    5   1H2*    C   1          1H2*        C   1  -7.491   7.393   7.026
    6   2H2*    C   1          2H2*        C   1  -7.202   8.258   8.518
    7    H1*    C   1           H1*        C   1  -7.123   9.076   5.622
    8   1H4     C   1          1H4         C   1  -0.888   9.514   7.553
    9   2H4     C   1          2H4         C   1  -1.046  10.017   5.853
   10    H5     C   1           H5         C   1  -2.780   8.905   8.775
   11    H6     C   1           H6         C   1  -5.267   8.781   8.776
   12    H5T    C   1           H5T        C   1  -7.751  10.034   9.899
   13   1H5*    C   2          1H5*        C   2 -10.616   8.714   4.032
   14   2H5*    C   2          2H5*        C   2 -11.651   7.656   3.098
   15    H4*    C   2           H4*        C   2  -9.693   7.570   1.875
   16    H3*    C   2           H3*        C   2  -9.630   5.155   3.690
   17   1H2*    C   2          1H2*        C   2  -7.800   5.189   1.316
   18   2H2*    C   2          2H2*        C   2  -7.512   4.721   3.045
   19    H1*    C   2           H1*        C   2  -7.144   7.355   1.671
   20   1H4     C   2          1H4         C   2  -2.641   6.035   6.279
   21   2H4     C   2          2H4         C   2  -1.773   6.624   4.846
   22    H5     C   2           H5         C   2  -4.983   5.929   6.390
   23    H6     C   2           H6         C   2  -7.042   5.989   5.020
   24   1H5*    T   3          1H5*        T   3  -8.929   4.914  -0.645
   25   2H5*    T   3          2H5*        T   3  -9.732   3.586  -1.478
   26    H4*    T   3           H4*        T   3  -7.508   4.062  -2.468
   27    H3*    T   3           H3*        T   3  -8.140   1.400  -1.508
   28   1H2*    T   3          1H2*        T   3  -5.349   1.080  -1.637
   29   2H2*    T   3          2H2*        T   3  -6.246   1.156  -0.134
   30    H1*    T   3           H1*        T   3  -4.718   3.339  -1.485
   31    H3     T   3           H3         T   3  -1.907   3.400   2.048
   32   1H5M    T   3          1H5M        T   3  -5.658   3.239   5.046
   33   2H5M    T   3          2H5M        T   3  -7.011   2.841   3.988
   34   3H5M    T   3          3H5M        T   3  -5.945   1.588   4.494
   35    H6     T   3           H6         T   3  -6.654   2.642   1.538
   36   1H5*    A   4          1H5*        A   4  -4.565   2.101  -3.556
   37   2H5*    A   4          2H5*        A   4  -4.235   1.347  -5.114
   38    H4*    A   4           H4*        A   4  -2.132   1.542  -4.028
   39    H3*    A   4           H3*        A   4  -3.101  -1.325  -3.966
   40   1H2*    A   4          1H2*        A   4  -0.473  -1.232  -2.778
   41   2H2*    A   4          2H2*        A   4  -1.945  -1.793  -2.011
   42    H1*    A   4           H1*        A   4  -0.629   0.888  -1.978
   43    H8     A   4           H8         A   4  -3.688  -0.212  -0.034
   44   1H6     A   4          1H6         A   4   0.168  -0.302   4.975
   45   2H6     A   4          2H6         A   4  -1.458  -0.672   4.460
   46    H2     A   4           H2         A   4   2.597   0.158   1.403
   47   1H5*    T   5          1H5*        T   5   1.332  -0.500  -4.351
   48   2H5*    T   5          2H5*        T   5   2.011  -1.411  -5.692
   49    H4*    T   5           H4*        T   5   3.601  -1.475  -3.827
   50    H3*    T   5           H3*        T   5   2.278  -4.022  -4.658
   51   1H2*    T   5          1H2*        T   5   3.903  -4.735  -2.342
   52   2H2*    T   5          2H2*        T   5   2.158  -4.847  -2.567
   53    H1*    T   5           H1*        T   5   3.777  -2.756  -1.241
   54    H3     T   5           H3         T   5   1.537  -3.467   2.675
   55   1H5M    T   5          1H5M        T   5  -2.323  -4.689   0.395
   56   2H5M    T   5          2H5M        T   5  -2.476  -3.071  -0.324
   57   3H5M    T   5          3H5M        T   5  -1.979  -4.461  -1.341
   58    H6     T   5           H6         T   5   0.241  -3.570  -2.012
   59   1H5*    T   6          1H5*        T   6   6.472  -4.444  -3.165
   60   2H5*    T   6          2H5*        T   6   7.458  -5.608  -4.038
   61    H4*    T   6           H4*        T   6   7.719  -6.104  -1.653
   62    H3*    T   6           H3*        T   6   5.874  -8.034  -3.107
   63   1H2*    T   6          1H2*        T   6   6.471  -8.935  -0.390
   64   2H2*    T   6          2H2*        T   6   5.013  -8.851  -1.287
   65    H1*    T   6           H1*        T   6   6.161  -6.836   0.589
   66    H3     T   6           H3         T   6   2.194  -6.759   2.857
   67   1H5M    T   6          1H5M        T   6   0.353  -8.097  -1.572
   68   2H5M    T   6          2H5M        T   6  -0.258  -6.528  -1.042
   69   3H5M    T   6          3H5M        T   6   0.929  -6.623  -2.383
   70    H6     T   6           H6         T   6   3.363  -7.059  -1.822
   71   1H5*    C   7          1H5*        C   7   8.990  -9.569  -0.431
   72   2H5*    C   7          2H5*        C   7   9.800 -11.092  -0.820
   73    H4*    C   7           H4*        C   7   9.185 -10.895   1.608
   74    H3*    C   7           H3*        C   7   8.417 -13.200  -0.013
   75   1H2*    C   7          1H2*        C   7   6.528 -13.678   2.022
   76   2H2*    C   7          2H2*        C   7   6.156 -13.088   0.447
   77    H1*    C   7           H1*        C   7   6.630 -11.485   2.961
   78   1H4     C   7          1H4         C   7   0.634 -10.121   0.422
   79   2H4     C   7          2H4         C   7   0.612  -9.925   2.169
   80    H5     C   7           H5         C   7   2.653 -10.485  -0.669
   81    H6     C   7           H6         C   7   5.119 -11.040  -0.376
   82    H3T    C   7           H3T        C   7   8.710 -14.241   2.017
   83   1H5*    G   8          1H5*        G   8  -3.851 -12.222  12.354
   84   2H5*    G   8          2H5*        G   8  -4.069 -11.773  10.657
   85    H4*    G   8           H4*        G   8  -1.309 -12.665  11.750
   86    H3*    G   8           H3*        G   8  -2.584  -9.980  12.281
   87   1H2*    G   8          1H2*        G   8  -0.244  -9.067  11.242
   88   2H2*    G   8          2H2*        G   8  -1.725  -9.007  10.410
   89    H1*    G   8           H1*        G   8   0.316 -11.031   9.945
   90    H8     G   8           H8         G   8  -2.880  -9.531   8.277
   91    H1     G   8           H1         G   8   2.179 -10.479   4.428
   92   1H2     G   8          1H2         G   8   3.596 -11.612   7.293
   93   2H2     G   8          2H2         G   8   3.835 -11.354   5.568
   94    H5T    G   8           H5T        G   8  -4.456 -13.971  10.908
   95   1H5*    A   9          1H5*        A   9   1.668 -10.238  12.179
   96   2H5*    A   9          2H5*        A   9   2.629  -9.642  13.503
   97    H4*    A   9           H4*        A   9   3.746  -8.867  11.573
   98    H3*    A   9           H3*        A   9   2.615  -6.876  12.859
   99   1H2*    A   9          1H2*        A   9   3.420  -5.502  10.443
  100   2H2*    A   9          2H2*        A   9   1.761  -5.817  10.977
  101    H1*    A   9           H1*        A   9   3.392  -7.623   9.151
  102    H8     A   9           H8         A   9  -0.369  -6.633   9.683
  103   1H6     A   9          1H6         A   9  -0.176  -6.395   3.364
  104   2H6     A   9          2H6         A   9  -1.257  -5.921   4.634
  105    H2     A   9           H2         A   9   3.798  -7.322   4.837
  106   1H5*    A  10          1H5*        A  10   6.622  -6.285  10.667
  107   2H5*    A  10          2H5*        A  10   8.037  -5.379  11.044
  108    H4*    A  10           H4*        A  10   7.315  -4.309   9.066
  109    H3*    A  10           H3*        A  10   6.400  -2.543  11.356
  110   1H2*    A  10          1H2*        A  10   5.771  -1.175   9.015
  111   2H2*    A  10          2H2*        A  10   4.759  -1.800  10.005
  112    H1*    A  10           H1*        A  10   5.831  -3.425   7.715
  113    H8     A  10           H8         A  10   2.687  -3.136   9.855
  114   1H6     A  10          1H6         A  10  -0.217  -3.436   4.184
  115   2H6     A  10          2H6         A  10  -0.605  -3.058   5.845
  116    H2     A  10           H2         A  10   4.044  -3.364   3.550
  117   1H5*    T  11          1H5*        T  11   8.932  -1.544   7.646
  118   2H5*    T  11          2H5*        T  11  10.113  -0.254   7.900
  119    H4*    T  11           H4*        T  11   9.203  -0.337   5.547
  120    H3*    T  11           H3*        T  11   9.109   2.144   7.070
  121   1H2*    T  11          1H2*        T  11   7.350   2.795   4.855
  122   2H2*    T  11          2H2*        T  11   6.797   2.534   6.444
  123    H1*    T  11           H1*        T  11   6.926   0.455   4.206
  124    H3     T  11           H3         T  11   2.432   0.169   4.146
  125   1H5M    T  11          1H5M        T  11   3.188   1.786   9.004
  126   2H5M    T  11          2H5M        T  11   2.158   0.382   8.819
  127   3H5M    T  11          3H5M        T  11   3.834   0.174   9.352
  128    H6     T  11           H6         T  11   5.772   0.844   7.590
  129   1H5*    A  12          1H5*        A  12   8.532   1.704   2.940
  130   2H5*    A  12          2H5*        A  12   9.538   2.613   1.813
  131    H4*    A  12           H4*        A  12   7.591   2.172   0.795
  132    H3*    A  12           H3*        A  12   7.857   5.075   1.624
  133   1H2*    A  12          1H2*        A  12   5.362   5.150   0.216
  134   2H2*    A  12          2H2*        A  12   5.606   5.565   1.818
  135    H1*    A  12           H1*        A  12   4.744   2.879   0.779
  136    H8     A  12           H8         A  12   5.174   3.911   4.344
  137   1H6     A  12          1H6         A  12  -1.225   3.681   4.343
  138   2H6     A  12          2H6         A  12  -0.050   3.997   5.519
  139    H2     A  12           H2         A  12   0.179   3.452   0.320
  140   1H5*    G  13          1H5*        G  13   5.805   4.755  -2.273
  141   2H5*    G  13          2H5*        G  13   6.411   5.884  -3.481
  142    H4*    G  13           H4*        G  13   4.000   5.869  -3.506
  143    H3*    G  13           H3*        G  13   5.258   8.434  -2.547
  144   1H2*    G  13          1H2*        G  13   2.486   8.985  -2.322
  145   2H2*    G  13          2H2*        G  13   3.624   8.775  -1.036
  146    H1*    G  13           H1*        G  13   1.804   6.610  -1.950
  147    H8     G  13           H8         G  13   4.088   7.450   0.970
  148    H1     G  13           H1         G  13  -2.141   6.885   2.430
  149   1H2     G  13          1H2         G  13  -2.534   6.562  -0.909
  150   2H2     G  13          2H2         G  13  -3.304   6.834   0.629
  151   1H5*    G  14          1H5*        G  14   1.420   8.706  -4.804
  152   2H5*    G  14          2H5*        G  14   1.231  10.091  -5.825
  153    H4*    G  14           H4*        G  14  -0.808   9.771  -4.519
  154    H3*    G  14           H3*        G  14   0.803  12.252  -3.693
  155   1H2*    G  14          1H2*        G  14  -1.960  12.082  -2.613
  156   2H2*    G  14          2H2*        G  14  -0.447  12.537  -1.877
  157    H1*    G  14           H1*        G  14  -1.793   9.898  -2.005
  158    H8     G  14           H8         G  14   1.741  10.419  -0.606
  159    H1     G  14           H1         G  14  -2.872  10.251   3.891
  160   1H2     G  14          1H2         G  14  -4.996  10.376   1.179
  161   2H2     G  14          2H2         G  14  -4.846  10.267   2.931
  162    H3T    G  14           H3T        G  14  -0.427  12.151  -5.687
  163   1H5*    C  15          1H5*      NPC  15  -9.523 -10.758   2.835
  164   2H5*    C  15          2H5*      NPC  15 -10.975  -9.821   3.130
  165    H4*    C  15           H4*      NPC  15  -9.857 -10.056   5.233
  166    H3*    C  15           H3*      NPC  15 -10.211  -7.412   4.312
  167   1H2*    C  15          1H2*      NPC  15  -7.893  -6.610   5.433
  168   2H2*    C  15          2H2*      NPC  15  -8.001  -7.024   3.730
  169    H1*    C  15           H1*      NPC  15  -7.121  -8.667   6.103
  170    H3     C  15           H3       NPC  15  -2.873  -8.984   5.037
  171   1H4     C  15          1H4       NPC  15  -2.301  -8.689   1.578
  172   2H4     C  15          2H4       NPC  15  -1.460  -9.095   3.046
  173    H5     C  15           H5       NPC  15  -4.575  -8.681   1.257
  174    H6     C  15           H6       NPC  15  -6.842  -8.640   2.399
  175    H5T    C  15           H5T      NPC  15  -9.824  -8.003   2.402
  176   1H5*    T  16          1H5*        T  16  -8.928  -7.835   8.932
  177   2H5*    T  16          2H5*        T  16 -10.046  -6.759   9.770
  178    H4*    T  16           H4*        T  16  -7.972  -7.076  11.016
  179    H3*    T  16           H3*        T  16  -8.749  -4.372  10.491
  180   1H2*    T  16          1H2*        T  16  -6.041  -3.696  10.631
  181   2H2*    T  16          2H2*        T  16  -6.992  -3.809   9.174
  182    H1*    T  16           H1*        T  16  -5.153  -5.801  10.499
  183    H3     T  16           H3         T  16  -2.142  -5.887   7.184
  184   1H5M    T  16          1H5M        T  16  -6.098  -5.668   4.147
  185   2H5M    T  16          2H5M        T  16  -6.956  -4.378   4.965
  186   3H5M    T  16          3H5M        T  16  -5.442  -4.048   4.176
  187    H6     T  16           H6         T  16  -6.939  -5.054   7.372
  188   1H5*    T  17          1H5*        T  17  -5.038  -2.672  12.218
  189   2H5*    T  17          2H5*        T  17  -4.693  -4.403  12.393
  190    H4*    T  17           H4*        T  17  -3.437  -3.891  14.526
  191    H3*    T  17           H3*        T  17  -4.634  -1.508  14.862
  192   1H2*    T  17          1H2*        T  17  -3.032   0.113  13.434
  193   2H2*    T  17          2H2*        T  17  -4.306  -0.758  12.555
  194    H1*    T  17           H1*        T  17  -1.314  -1.459  12.715
  195    H3     T  17           H3         T  17  -0.152  -2.771   8.621
  196   1H5M    T  17          1H5M        T  17  -4.757  -0.770   7.602
  197   2H5M    T  17          2H5M        T  17  -4.702  -2.509   7.141
  198   3H5M    T  17          3H5M        T  17  -5.572  -1.969   8.593
  199    H6     T  17           H6         T  17  -4.377  -1.417  10.524
  200   1H5*    G  18          1H5*        G  18   0.095  -1.030  15.632
  201   2H5*    G  18          2H5*        G  18   0.415   0.349  16.727
  202    H4*    G  18           H4*        G  18   2.138   0.204  14.872
  203    H3*    G  18           H3*        G  18   0.631   2.695  15.082
  204   1H2*    G  18          1H2*        G  18   2.855   2.261  13.026
  205   2H2*    G  18          2H2*        G  18   1.462   3.290  12.728
  206    H1*    G  18           H1*        G  18   1.591   0.726  11.636
  207    H8     G  18           H8         G  18  -1.154   2.299  13.783
  208    H1     G  18           H1         G  18  -2.622   1.695   7.545
  209   1H2     G  18          1H2         G  18   0.165   0.591   6.993
  210   2H2     G  18          2H2         G  18  -1.424   0.998   6.472
  211   1H5*    T  19          1H5*        T  19   4.982   2.966  13.653
  212   2H5*    T  19          2H5*        T  19   5.785   4.185  14.615
  213    H4*    T  19           H4*        T  19   6.586   4.460  12.375
  214    H3*    T  19           H3*        T  19   4.910   6.735  13.291
  215   1H2*    T  19          1H2*        T  19   4.814   7.382  10.618
  216   2H2*    T  19          2H2*        T  19   3.586   6.772  11.529
  217    H1*    T  19           H1*        T  19   5.606   5.277   9.847
  218    H3     T  19           H3         T  19   2.501   3.916   6.592
  219   1H5M    T  19          1H5M        T  19  -0.343   5.810  10.608
  220   2H5M    T  19          2H5M        T  19  -1.017   4.388   9.819
  221   3H5M    T  19          3H5M        T  19  -0.054   4.292  11.297
  222    H6     T  19           H6         T  19   2.135   5.130  11.255
  223   1H5*    C  20          1H5*      NPC  20   8.215   6.776   9.944
  224   2H5*    C  20          2H5*      NPC  20   9.158   8.258  10.033
  225    H4*    C  20           H4*      NPC  20   9.129   7.438   7.711
  226    H3*    C  20           H3*      NPC  20   7.808  10.041   8.292
  227   1H2*    C  20          1H2*      NPC  20   7.517   9.565   5.425
  228   2H2*    C  20          2H2*      NPC  20   6.283   9.845   6.667
  229    H1*    C  20           H1*      NPC  20   7.087   7.202   5.503
  230    H3     C  20           H3       NPC  20   2.800   7.160   4.283
  231   1H4     C  20          1H4       NPC  20   0.638   7.664   6.990
  232   2H4     C  20          2H4       NPC  20   0.614   7.266   5.342
  233    H5     C  20           H5       NPC  20   2.661   7.957   8.419
  234    H6     C  20           H6       NPC  20   5.058   8.240   8.274
  235   1H5*    C  21          1H5*      NPC  21   9.062  10.119   4.177
  236   2H5*    C  21          2H5*      NPC  21  10.240  11.427   4.005
  237    H4*    C  21           H4*      NPC  21   8.959  11.361   2.099
  238    H3*    C  21           H3*      NPC  21   8.652  13.703   3.739
  239   1H2*    C  21          1H2*      NPC  21   6.625  14.040   1.528
  240   2H2*    C  21          2H2*      NPC  21   6.215  13.857   3.272
  241    H1*    C  21           H1*      NPC  21   6.106  11.716   1.153
  242    H3     C  21           H3       NPC  21   1.949  11.350   2.834
  243   1H4     C  21          1H4       NPC  21   1.875  11.318   6.293
  244   2H4     C  21          2H4       NPC  21   0.899  11.067   4.913
  245    H5     C  21           H5       NPC  21   4.136  11.693   6.286
  246    H6     C  21           H6       NPC  21   6.276  11.868   4.717
  247    H3T    C  21           H3T      NPC  21   8.990  14.757   1.919
   
  Start of MODEL          10
 Raw file had  247 H/Q atoms
  Start of MODEL   10
    1   1H5*    C   1          1H5*        C   1  -8.274  12.125   8.734
    2   2H5*    C   1          2H5*        C   1  -9.238  10.878   9.565
    3    H4*    C   1           H4*        C   1  -9.408  10.860   7.022
    4    H3*    C   1           H3*        C   1  -9.368   8.508   8.514
    5   1H2*    C   1          1H2*        C   1  -7.441   7.277   7.016
    6   2H2*    C   1          2H2*        C   1  -7.110   8.077   8.451
    7    H1*    C   1           H1*        C   1  -7.110   8.873   5.530
    8   1H4     C   1          1H4         C   1  -0.891   9.338   7.359
    9   2H4     C   1          2H4         C   1  -1.006   9.823   5.648
   10    H5     C   1           H5         C   1  -2.734   8.920   8.669
   11    H6     C   1           H6         C   1  -5.204   8.798   8.641
   12    H5T    C   1           H5T        C   1  -7.345   9.726   9.882
   13   1H5*    C   2          1H5*        C   2 -10.821   8.622   4.140
   14   2H5*    C   2          2H5*        C   2 -11.825   7.494   3.298
   15    H4*    C   2           H4*        C   2  -9.882   7.571   2.003
   16    H3*    C   2           H3*        C   2  -9.870   5.058   3.606
   17   1H2*    C   2          1H2*        C   2  -7.968   5.131   1.385
   18   2H2*    C   2          2H2*        C   2  -7.713   4.611   3.068
   19    H1*    C   2           H1*        C   2  -7.356   7.287   1.767
   20   1H4     C   2          1H4         C   2  -2.695   6.074   6.208
   21   2H4     C   2          2H4         C   2  -1.866   6.738   4.820
   22    H5     C   2           H5         C   2  -4.988   5.849   6.373
   23    H6     C   2           H6         C   2  -7.109   5.810   5.088
   24   1H5*    T   3          1H5*        T   3  -9.142   5.031  -0.768
   25   2H5*    T   3          2H5*        T   3  -9.808   3.702  -1.635
   26    H4*    T   3           H4*        T   3  -7.536   4.302  -2.476
   27    H3*    T   3           H3*        T   3  -8.139   1.604  -1.546
   28   1H2*    T   3          1H2*        T   3  -5.346   1.366  -1.681
   29   2H2*    T   3          2H2*        T   3  -6.291   1.347  -0.169
   30    H1*    T   3           H1*        T   3  -4.857   3.717  -1.472
   31    H3     T   3           H3         T   3  -1.934   3.711   1.965
   32   1H5M    T   3          1H5M        T   3  -5.368   3.032   5.123
   33   2H5M    T   3          2H5M        T   3  -6.862   3.127   4.213
   34   3H5M    T   3          3H5M        T   3  -5.988   1.600   4.341
   35    H6     T   3           H6         T   3  -6.691   2.746   1.569
   36   1H5*    A   4          1H5*        A   4  -4.598   2.191  -3.776
   37   2H5*    A   4          2H5*        A   4  -4.278   1.333  -5.191
   38    H4*    A   4           H4*        A   4  -2.209   1.722  -4.076
   39    H3*    A   4           H3*        A   4  -3.052  -1.184  -4.042
   40   1H2*    A   4          1H2*        A   4  -0.453  -1.050  -2.721
   41   2H2*    A   4          2H2*        A   4  -2.001  -1.538  -1.997
   42    H1*    A   4           H1*        A   4  -0.702   1.115  -2.015
   43    H8     A   4           H8         A   4  -3.763   0.013  -0.139
   44   1H6     A   4          1H6         A   4  -0.008   0.104   4.980
   45   2H6     A   4          2H6         A   4  -1.618  -0.285   4.460
   46    H2     A   4           H2         A   4   2.519   0.332   1.398
   47   1H5*    T   5          1H5*        T   5   1.377  -0.351  -4.112
   48   2H5*    T   5          2H5*        T   5   2.150  -1.237  -5.498
   49    H4*    T   5           H4*        T   5   3.632  -1.385  -3.561
   50    H3*    T   5           H3*        T   5   2.313  -3.859  -4.554
   51   1H2*    T   5          1H2*        T   5   3.756  -4.715  -2.188
   52   2H2*    T   5          2H2*        T   5   2.005  -4.755  -2.545
   53    H1*    T   5           H1*        T   5   3.684  -2.752  -1.028
   54    H3     T   5           H3         T   5   1.268  -3.268   2.755
   55   1H5M    T   5          1H5M        T   5  -2.557  -4.484   0.250
   56   2H5M    T   5          2H5M        T   5  -2.682  -2.808  -0.210
   57   3H5M    T   5          3H5M        T   5  -2.172  -4.017  -1.418
   58    H6     T   5           H6         T   5   0.148  -3.415  -1.923
   59   1H5*    T   6          1H5*        T   6   6.796  -4.542  -2.968
   60   2H5*    T   6          2H5*        T   6   7.528  -5.624  -4.048
   61    H4*    T   6           H4*        T   6   8.053  -6.410  -1.750
   62    H3*    T   6           H3*        T   6   6.143  -8.038  -3.465
   63   1H2*    T   6          1H2*        T   6   6.315  -9.403  -0.831
   64   2H2*    T   6          2H2*        T   6   4.959  -8.912  -1.725
   65    H1*    T   6           H1*        T   6   6.439  -7.492   0.434
   66    H3     T   6           H3         T   6   2.734  -6.581   2.933
   67   1H5M    T   6          1H5M        T   6   0.041  -7.347  -0.857
   68   2H5M    T   6          2H5M        T   6   0.553  -5.855  -1.580
   69   3H5M    T   6          3H5M        T   6   1.102  -7.443  -2.209
   70    H6     T   6           H6         T   6   3.552  -7.128  -1.843
   71   1H5*    C   7          1H5*        C   7   8.744  -9.697  -0.514
   72   2H5*    C   7          2H5*        C   7   9.677 -11.095  -0.990
   73    H4*    C   7           H4*        C   7   9.188 -11.141   1.392
   74    H3*    C   7           H3*        C   7   8.692 -13.421  -0.180
   75   1H2*    C   7          1H2*        C   7   6.388 -14.079   1.159
   76   2H2*    C   7          2H2*        C   7   6.303 -13.102  -0.248
   77    H1*    C   7           H1*        C   7   6.489 -12.224   2.607
   78   1H4     C   7          1H4         C   7   0.699  -9.844   0.484
   79   2H4     C   7          2H4         C   7   0.787  -9.734   2.233
   80    H5     C   7           H5         C   7   2.647 -10.405  -0.776
   81    H6     C   7           H6         C   7   4.960 -11.290  -0.653
   82    H3T    C   7           H3T        C   7   8.569 -14.458   1.846
   83   1H5*    G   8          1H5*        G   8  -3.605 -12.525  12.538
   84   2H5*    G   8          2H5*        G   8  -3.994 -12.004  10.911
   85    H4*    G   8           H4*        G   8  -1.152 -12.792  11.717
   86    H3*    G   8           H3*        G   8  -2.553 -10.151  12.134
   87   1H2*    G   8          1H2*        G   8  -0.004  -9.395  11.238
   88   2H2*    G   8          2H2*        G   8  -1.481  -9.129  10.447
   89    H1*    G   8           H1*        G   8   0.406 -11.329   9.902
   90    H8     G   8           H8         G   8  -2.695  -9.517   8.285
   91    H1     G   8           H1         G   8   2.250 -10.487   4.322
   92   1H2     G   8          1H2         G   8   3.674 -11.984   7.037
   93   2H2     G   8          2H2         G   8   3.895 -11.546   5.339
   94    H5T    G   8           H5T        G   8  -3.111 -14.011  10.146
   95   1H5*    A   9          1H5*        A   9   1.649 -10.146  12.631
   96   2H5*    A   9          2H5*        A   9   2.375  -9.177  13.977
   97    H4*    A   9           H4*        A   9   3.679  -8.801  12.037
   98    H3*    A   9           H3*        A   9   2.583  -6.691  13.138
   99   1H2*    A   9          1H2*        A   9   3.448  -5.432  10.669
  100   2H2*    A   9          2H2*        A   9   1.759  -5.752  11.153
  101    H1*    A   9           H1*        A   9   3.645  -7.557   9.508
  102    H8     A   9           H8         A   9  -0.196  -6.782   9.757
  103   1H6     A   9          1H6         A   9   0.305  -6.296   3.476
  104   2H6     A   9          2H6         A   9  -0.792  -5.886   4.737
  105    H2     A   9           H2         A   9   4.291  -7.042   5.050
  106   1H5*    A  10          1H5*        A  10   6.359  -6.372  10.676
  107   2H5*    A  10          2H5*        A  10   7.910  -5.596  10.919
  108    H4*    A  10           H4*        A  10   7.158  -4.456   8.962
  109    H3*    A  10           H3*        A  10   6.431  -2.690  11.311
  110   1H2*    A  10          1H2*        A  10   5.748  -1.279   9.016
  111   2H2*    A  10          2H2*        A  10   4.743  -1.855  10.061
  112    H1*    A  10           H1*        A  10   5.697  -3.487   7.676
  113    H8     A  10           H8         A  10   2.635  -3.144   9.986
  114   1H6     A  10          1H6         A  10  -0.485  -3.162   4.385
  115   2H6     A  10          2H6         A  10  -0.817  -2.898   6.074
  116    H2     A  10           H2         A  10   3.731  -3.343   3.607
  117   1H5*    T  11          1H5*        T  11   9.038  -1.754   7.614
  118   2H5*    T  11          2H5*        T  11  10.180  -0.369   7.772
  119    H4*    T  11           H4*        T  11   9.039  -0.606   5.429
  120    H3*    T  11           H3*        T  11   9.008   1.905   7.013
  121   1H2*    T  11          1H2*        T  11   7.212   2.432   4.720
  122   2H2*    T  11          2H2*        T  11   6.746   2.328   6.355
  123    H1*    T  11           H1*        T  11   6.839   0.070   4.260
  124    H3     T  11           H3         T  11   2.327   0.377   4.106
  125   1H5M    T  11          1H5M        T  11   2.192   1.484   8.767
  126   2H5M    T  11          2H5M        T  11   2.768  -0.128   9.132
  127   3H5M    T  11          3H5M        T  11   3.828   1.270   9.327
  128    H6     T  11           H6         T  11   5.684   0.718   7.624
  129   1H5*    A  12          1H5*        A  12   8.280   1.579   2.836
  130   2H5*    A  12          2H5*        A  12   9.391   2.426   1.800
  131    H4*    A  12           H4*        A  12   7.474   2.153   0.633
  132    H3*    A  12           H3*        A  12   7.835   4.980   1.567
  133   1H2*    A  12          1H2*        A  12   5.344   5.221   0.151
  134   2H2*    A  12          2H2*        A  12   5.566   5.586   1.775
  135    H1*    A  12           H1*        A  12   4.621   2.961   0.624
  136    H8     A  12           H8         A  12   5.150   3.836   4.211
  137   1H6     A  12          1H6         A  12  -1.266   4.113   4.280
  138   2H6     A  12          2H6         A  12  -0.049   4.167   5.436
  139    H2     A  12           H2         A  12   0.125   3.720   0.215
  140   1H5*    G  13          1H5*        G  13   5.751   4.940  -2.241
  141   2H5*    G  13          2H5*        G  13   6.376   6.078  -3.352
  142    H4*    G  13           H4*        G  13   3.981   6.083  -3.460
  143    H3*    G  13           H3*        G  13   5.211   8.629  -2.388
  144   1H2*    G  13          1H2*        G  13   2.444   9.154  -2.254
  145   2H2*    G  13          2H2*        G  13   3.505   8.949  -0.929
  146    H1*    G  13           H1*        G  13   1.725   6.802  -1.978
  147    H8     G  13           H8         G  13   4.007   7.482   1.002
  148    H1     G  13           H1         G  13  -2.258   7.006   2.404
  149   1H2     G  13          1H2         G  13  -2.680   6.663  -0.868
  150   2H2     G  13          2H2         G  13  -3.432   6.962   0.673
  151   1H5*    G  14          1H5*        G  14   1.433   8.862  -4.596
  152   2H5*    G  14          2H5*        G  14   1.358  10.055  -5.849
  153    H4*    G  14           H4*        G  14  -0.752  10.196  -4.715
  154    H3*    G  14           H3*        G  14   1.070  12.414  -3.646
  155   1H2*    G  14          1H2*        G  14  -1.768  12.566  -2.914
  156   2H2*    G  14          2H2*        G  14  -0.300  12.935  -1.987
  157    H1*    G  14           H1*        G  14  -1.921  10.475  -2.197
  158    H8     G  14           H8         G  14   1.678  10.802  -0.789
  159    H1     G  14           H1         G  14  -2.904  10.079   3.665
  160   1H2     G  14          1H2         G  14  -4.993  10.364   0.998
  161   2H2     G  14          2H2         G  14  -4.867  10.079   2.726
  162    H3T    G  14           H3T        G  14   0.216  12.672  -5.720
  163   1H5*    C  15          1H5*      NPC  15  -8.747 -10.442   2.574
  164   2H5*    C  15          2H5*      NPC  15 -10.447  -9.929   2.823
  165    H4*    C  15           H4*      NPC  15  -9.727 -10.133   5.021
  166    H3*    C  15           H3*      NPC  15 -10.092  -7.428   4.410
  167   1H2*    C  15          1H2*      NPC  15  -7.871  -6.568   5.634
  168   2H2*    C  15          2H2*      NPC  15  -7.886  -6.915   3.932
  169    H1*    C  15           H1*      NPC  15  -6.893  -8.584   6.196
  170    H3     C  15           H3       NPC  15  -2.690  -8.915   5.086
  171   1H4     C  15          1H4       NPC  15  -2.092  -8.319   1.707
  172   2H4     C  15          2H4       NPC  15  -1.263  -8.787   3.142
  173    H5     C  15           H5       NPC  15  -4.356  -8.248   1.379
  174    H6     C  15           H6       NPC  15  -6.622  -8.319   2.492
  175    H5T    C  15           H5T      NPC  15  -9.770  -7.790   2.477
  176   1H5*    T  16          1H5*        T  16  -8.614  -8.021   8.974
  177   2H5*    T  16          2H5*        T  16  -9.713  -7.027   9.920
  178    H4*    T  16           H4*        T  16  -7.508  -7.231  10.990
  179    H3*    T  16           H3*        T  16  -8.504  -4.549  10.439
  180   1H2*    T  16          1H2*        T  16  -5.814  -3.796  10.739
  181   2H2*    T  16          2H2*        T  16  -6.709  -3.878   9.235
  182    H1*    T  16           H1*        T  16  -4.886  -5.866  10.547
  183    H3     T  16           H3         T  16  -1.835  -5.936   7.238
  184   1H5M    T  16          1H5M        T  16  -5.884  -5.765   4.240
  185   2H5M    T  16          2H5M        T  16  -6.585  -4.349   4.996
  186   3H5M    T  16          3H5M        T  16  -5.047  -4.220   4.129
  187    H6     T  16           H6         T  16  -6.567  -5.070   7.397
  188   1H5*    T  17          1H5*        T  17  -5.107  -2.713  12.484
  189   2H5*    T  17          2H5*        T  17  -4.712  -4.397  12.741
  190    H4*    T  17           H4*        T  17  -3.653  -3.803  14.966
  191    H3*    T  17           H3*        T  17  -4.870  -1.427  15.176
  192   1H2*    T  17          1H2*        T  17  -3.206   0.172  13.746
  193   2H2*    T  17          2H2*        T  17  -4.490  -0.730  12.891
  194    H1*    T  17           H1*        T  17  -1.487  -1.394  13.081
  195    H3     T  17           H3         T  17  -0.373  -2.859   8.999
  196   1H5M    T  17          1H5M        T  17  -5.620  -1.360   8.909
  197   2H5M    T  17          2H5M        T  17  -4.583  -0.458   7.841
  198   3H5M    T  17          3H5M        T  17  -4.878  -2.170   7.520
  199    H6     T  17           H6         T  17  -4.490  -1.298  10.861
  200   1H5*    G  18          1H5*        G  18  -0.188  -0.999  15.700
  201   2H5*    G  18          2H5*        G  18   0.277   0.289  16.792
  202    H4*    G  18           H4*        G  18   1.897   0.184  14.855
  203    H3*    G  18           H3*        G  18   0.350   2.602  15.033
  204   1H2*    G  18          1H2*        G  18   2.615   2.149  13.062
  205   2H2*    G  18          2H2*        G  18   1.300   3.257  12.722
  206    H1*    G  18           H1*        G  18   1.333   0.623  11.678
  207    H8     G  18           H8         G  18  -1.428   2.440  13.720
  208    H1     G  18           H1         G  18  -2.663   1.480   7.376
  209   1H2     G  18          1H2         G  18   0.127   0.365   7.071
  210   2H2     G  18          2H2         G  18  -1.575   0.380   6.600
  211   1H5*    T  19          1H5*        T  19   4.947   2.938  13.804
  212   2H5*    T  19          2H5*        T  19   5.554   4.376  14.646
  213    H4*    T  19           H4*        T  19   6.508   4.259  12.415
  214    H3*    T  19           H3*        T  19   5.026   6.643  13.205
  215   1H2*    T  19          1H2*        T  19   4.718   7.233  10.567
  216   2H2*    T  19          2H2*        T  19   3.516   6.558  11.570
  217    H1*    T  19           H1*        T  19   5.555   5.141   9.810
  218    H3     T  19           H3         T  19   2.423   3.803   6.524
  219   1H5M    T  19          1H5M        T  19  -0.398   5.759  10.506
  220   2H5M    T  19          2H5M        T  19  -1.096   4.351   9.676
  221   3H5M    T  19          3H5M        T  19  -0.163   4.160  11.158
  222    H6     T  19           H6         T  19   2.077   5.018  11.153
  223   1H5*    C  20          1H5*      NPC  20   8.212   6.430   9.754
  224   2H5*    C  20          2H5*      NPC  20   9.301   7.804   9.792
  225    H4*    C  20           H4*      NPC  20   9.068   7.039   7.462
  226    H3*    C  20           H3*      NPC  20   7.926   9.671   8.215
  227   1H2*    C  20          1H2*      NPC  20   7.492   9.338   5.350
  228   2H2*    C  20          2H2*      NPC  20   6.336   9.719   6.636
  229    H1*    C  20           H1*      NPC  20   6.952   7.069   5.434
  230    H3     C  20           H3       NPC  20   2.645   7.246   4.253
  231   1H4     C  20          1H4       NPC  20   0.554   7.740   7.064
  232   2H4     C  20          2H4       NPC  20   0.499   7.400   5.393
  233    H5     C  20           H5       NPC  20   2.611   7.935   8.423
  234    H6     C  20           H6       NPC  20   5.051   8.116   8.262
  235   1H5*    C  21          1H5*      NPC  21   9.047   9.812   4.149
  236   2H5*    C  21          2H5*      NPC  21  10.360  11.009   4.034
  237    H4*    C  21           H4*      NPC  21   9.159  11.056   2.072
  238    H3*    C  21           H3*      NPC  21   8.884  13.397   3.770
  239   1H2*    C  21          1H2*      NPC  21   6.928  13.841   1.515
  240   2H2*    C  21          2H2*      NPC  21   6.473  13.622   3.244
  241    H1*    C  21           H1*      NPC  21   6.382  11.596   0.990
  242    H3     C  21           H3       NPC  21   2.132  11.195   2.491
  243   1H4     C  21          1H4       NPC  21   1.924  11.130   5.941
  244   2H4     C  21          2H4       NPC  21   0.987  10.875   4.517
  245    H5     C  21           H5       NPC  21   4.162  11.440   6.036
  246    H6     C  21           H6       NPC  21   6.372  11.641   4.646
  247    H3T    C  21           H3T      NPC  21   9.274  14.473   1.899
   
  Start of MODEL          11
 Raw file had  247 H/Q atoms
  Start of MODEL   11
    1   1H5*    C   1          1H5*        C   1  -8.472  12.192   8.756
    2   2H5*    C   1          2H5*        C   1  -9.380  10.913   9.554
    3    H4*    C   1           H4*        C   1  -9.543  10.893   7.017
    4    H3*    C   1           H3*        C   1  -9.407   8.553   8.534
    5   1H2*    C   1          1H2*        C   1  -7.484   7.363   7.029
    6   2H2*    C   1          2H2*        C   1  -7.087   8.229   8.445
    7    H1*    C   1           H1*        C   1  -7.104   8.987   5.562
    8   1H4     C   1          1H4         C   1  -0.910  10.094   7.438
    9   2H4     C   1          2H4         C   1  -1.081  10.167   5.668
   10    H5     C   1           H5         C   1  -2.786   9.436   8.736
   11    H6     C   1           H6         C   1  -5.292   9.090   8.688
   12    H5T    C   1           H5T        C   1  -7.418   9.795   9.815
   13   1H5*    C   2          1H5*        C   2 -10.741   8.650   4.161
   14   2H5*    C   2          2H5*        C   2 -11.778   7.592   3.262
   15    H4*    C   2           H4*        C   2  -9.825   7.553   2.009
   16    H3*    C   2           H3*        C   2  -9.736   5.069   3.743
   17   1H2*    C   2          1H2*        C   2  -7.884   5.214   1.399
   18   2H2*    C   2          2H2*        C   2  -7.592   4.689   3.073
   19    H1*    C   2           H1*        C   2  -7.303   7.358   1.788
   20   1H4     C   2          1H4         C   2  -2.667   6.387   6.336
   21   2H4     C   2          2H4         C   2  -1.854   6.896   4.852
   22    H5     C   2           H5         C   2  -4.937   6.028   6.480
   23    H6     C   2           H6         C   2  -7.064   5.907   5.115
   24   1H5*    T   3          1H5*        T   3  -9.122   5.069  -0.689
   25   2H5*    T   3          2H5*        T   3  -9.851   3.686  -1.495
   26    H4*    T   3           H4*        T   3  -7.653   4.348  -2.530
   27    H3*    T   3           H3*        T   3  -8.212   1.629  -1.645
   28   1H2*    T   3          1H2*        T   3  -5.393   1.394  -1.805
   29   2H2*    T   3          2H2*        T   3  -6.319   1.363  -0.300
   30    H1*    T   3           H1*        T   3  -4.850   3.664  -1.564
   31    H3     T   3           H3         T   3  -2.036   3.700   1.979
   32   1H5M    T   3          1H5M        T   3  -5.792   3.308   4.931
   33   2H5M    T   3          2H5M        T   3  -7.097   2.760   3.878
   34   3H5M    T   3          3H5M        T   3  -5.855   1.633   4.411
   35    H6     T   3           H6         T   3  -6.746   2.755   1.445
   36   1H5*    A   4          1H5*        A   4  -4.589   2.202  -3.965
   37   2H5*    A   4          2H5*        A   4  -4.285   1.212  -5.377
   38    H4*    A   4           H4*        A   4  -2.229   1.593  -4.212
   39    H3*    A   4           H3*        A   4  -3.109  -1.294  -4.014
   40   1H2*    A   4          1H2*        A   4  -0.522  -1.064  -2.733
   41   2H2*    A   4          2H2*        A   4  -2.015  -1.613  -1.996
   42    H1*    A   4           H1*        A   4  -0.780   1.103  -2.090
   43    H8     A   4           H8         A   4  -3.834   0.038  -0.178
   44   1H6     A   4          1H6         A   4  -0.046  -0.029   4.899
   45   2H6     A   4          2H6         A   4  -1.724   0.003   4.395
   46    H2     A   4           H2         A   4   2.434   0.343   1.374
   47   1H5*    T   5          1H5*        T   5   1.338  -0.347  -3.997
   48   2H5*    T   5          2H5*        T   5   2.048  -1.161  -5.397
   49    H4*    T   5           H4*        T   5   3.695  -1.234  -3.630
   50    H3*    T   5           H3*        T   5   2.425  -3.748  -4.458
   51   1H2*    T   5          1H2*        T   5   3.954  -4.605  -2.151
   52   2H2*    T   5          2H2*        T   5   2.202  -4.659  -2.415
   53    H1*    T   5           H1*        T   5   3.877  -2.667  -0.969
   54    H3     T   5           H3         T   5   1.605  -3.583   2.810
   55   1H5M    T   5          1H5M        T   5  -2.321  -4.516   0.323
   56   2H5M    T   5          2H5M        T   5  -2.415  -2.796   0.002
   57   3H5M    T   5          3H5M        T   5  -1.975  -3.912  -1.303
   58    H6     T   5           H6         T   5   0.339  -3.264  -1.836
   59   1H5*    T   6          1H5*        T   6   6.570  -4.343  -2.832
   60   2H5*    T   6          2H5*        T   6   7.456  -5.467  -3.850
   61    H4*    T   6           H4*        T   6   7.866  -6.084  -1.484
   62    H3*    T   6           H3*        T   6   6.166  -7.939  -3.112
   63   1H2*    T   6          1H2*        T   6   6.408  -9.130  -0.441
   64   2H2*    T   6          2H2*        T   6   5.034  -8.801  -1.388
   65    H1*    T   6           H1*        T   6   6.315  -7.098   0.726
   66    H3     T   6           H3         T   6   2.429  -6.890   3.005
   67   1H5M    T   6          1H5M        T   6   1.219  -6.701  -2.326
   68   2H5M    T   6          2H5M        T   6   0.338  -7.868  -1.359
   69   3H5M    T   6          3H5M        T   6   0.076  -6.144  -1.086
   70    H6     T   6           H6         T   6   3.542  -6.975  -1.685
   71   1H5*    C   7          1H5*        C   7   8.783  -9.510  -0.018
   72   2H5*    C   7          2H5*        C   7   9.754 -10.878  -0.534
   73    H4*    C   7           H4*        C   7   9.070 -11.139   1.816
   74    H3*    C   7           H3*        C   7   8.574 -13.219  -0.112
   75   1H2*    C   7          1H2*        C   7   6.290 -14.005   1.248
   76   2H2*    C   7          2H2*        C   7   6.250 -13.005  -0.181
   77    H1*    C   7           H1*        C   7   6.263 -12.177   2.731
   78   1H4     C   7          1H4         C   7   0.551  -9.883   0.240
   79   2H4     C   7          2H4         C   7   0.601  -9.908   2.008
   80    H5     C   7           H5         C   7   2.605 -10.416  -0.922
   81    H6     C   7           H6         C   7   4.991 -11.217  -0.637
   82    H3T    C   7           H3T        C   7   8.422 -14.520   1.730
   83   1H5*    G   8          1H5*        G   8  -3.555 -12.413  12.251
   84   2H5*    G   8          2H5*        G   8  -3.807 -11.839  10.610
   85    H4*    G   8           H4*        G   8  -1.052 -12.735  11.627
   86    H3*    G   8           H3*        G   8  -2.412 -10.139  12.154
   87   1H2*    G   8          1H2*        G   8  -0.039  -9.141  11.172
   88   2H2*    G   8          2H2*        G   8  -1.540  -9.057  10.365
   89    H1*    G   8           H1*        G   8   0.543 -11.040   9.792
   90    H8     G   8           H8         G   8  -2.713  -9.516   8.225
   91    H1     G   8           H1         G   8   2.135 -10.661   4.182
   92   1H2     G   8          1H2         G   8   3.611 -11.961   7.025
   93   2H2     G   8          2H2         G   8   3.821 -11.567   5.320
   94    H5T    G   8           H5T        G   8  -2.944 -13.831   9.882
   95   1H5*    A   9          1H5*        A   9   1.775 -10.215  12.264
   96   2H5*    A   9          2H5*        A   9   2.673  -9.606  13.642
   97    H4*    A   9           H4*        A   9   3.921  -8.802  11.825
   98    H3*    A   9           H3*        A   9   2.704  -6.841  13.070
   99   1H2*    A   9          1H2*        A   9   3.420  -5.409  10.701
  100   2H2*    A   9          2H2*        A   9   1.765  -5.758  11.182
  101    H1*    A   9           H1*        A   9   3.599  -7.457   9.341
  102    H8     A   9           H8         A   9  -0.266  -6.623   9.769
  103   1H6     A   9          1H6         A   9  -0.030  -6.567   3.480
  104   2H6     A   9          2H6         A   9  -1.026  -5.986   4.767
  105    H2     A   9           H2         A   9   3.974  -7.480   4.942
  106   1H5*    A  10          1H5*        A  10   6.793  -6.347  11.080
  107   2H5*    A  10          2H5*        A  10   8.157  -5.304  11.450
  108    H4*    A  10           H4*        A  10   7.428  -4.596   9.224
  109    H3*    A  10           H3*        A  10   6.570  -2.575  11.294
  110   1H2*    A  10          1H2*        A  10   6.105  -1.501   8.756
  111   2H2*    A  10          2H2*        A  10   5.012  -1.854   9.845
  112    H1*    A  10           H1*        A  10   5.963  -3.813   7.757
  113    H8     A  10           H8         A  10   2.868  -3.089   9.941
  114   1H6     A  10          1H6         A  10  -0.114  -3.346   4.315
  115   2H6     A  10          2H6         A  10  -0.483  -2.912   5.948
  116    H2     A  10           H2         A  10   4.087  -3.563   3.626
  117   1H5*    T  11          1H5*        T  11   9.239  -1.604   7.571
  118   2H5*    T  11          2H5*        T  11  10.207  -0.147   7.783
  119    H4*    T  11           H4*        T  11   9.139  -0.392   5.453
  120    H3*    T  11           H3*        T  11   8.900   2.069   7.037
  121   1H2*    T  11          1H2*        T  11   7.129   2.542   4.788
  122   2H2*    T  11          2H2*        T  11   6.635   2.338   6.408
  123    H1*    T  11           H1*        T  11   6.842   0.206   4.249
  124    H3     T  11           H3         T  11   2.304   0.186   4.098
  125   1H5M    T  11          1H5M        T  11   3.369   1.395   9.152
  126   2H5M    T  11          2H5M        T  11   1.946   0.440   8.745
  127   3H5M    T  11          3H5M        T  11   3.418  -0.372   9.234
  128    H6     T  11           H6         T  11   5.627   0.642   7.577
  129   1H5*    A  12          1H5*        A  12   8.256   1.700   2.906
  130   2H5*    A  12          2H5*        A  12   9.355   2.567   1.853
  131    H4*    A  12           H4*        A  12   7.414   2.209   0.735
  132    H3*    A  12           H3*        A  12   7.827   5.083   1.604
  133   1H2*    A  12          1H2*        A  12   5.337   5.285   0.137
  134   2H2*    A  12          2H2*        A  12   5.576   5.678   1.776
  135    H1*    A  12           H1*        A  12   4.592   3.049   0.712
  136    H8     A  12           H8         A  12   5.071   4.045   4.247
  137   1H6     A  12          1H6         A  12  -1.334   3.883   4.317
  138   2H6     A  12          2H6         A  12  -0.129   4.231   5.457
  139    H2     A  12           H2         A  12   0.060   3.623   0.266
  140   1H5*    G  13          1H5*        G  13   5.744   4.884  -1.986
  141   2H5*    G  13          2H5*        G  13   6.415   5.874  -3.274
  142    H4*    G  13           H4*        G  13   4.041   5.975  -3.464
  143    H3*    G  13           H3*        G  13   5.178   8.530  -2.371
  144   1H2*    G  13          1H2*        G  13   2.382   9.005  -2.412
  145   2H2*    G  13          2H2*        G  13   3.380   8.863  -1.037
  146    H1*    G  13           H1*        G  13   1.698   6.643  -2.066
  147    H8     G  13           H8         G  13   3.913   7.459   0.955
  148    H1     G  13           H1         G  13  -2.325   7.082   2.359
  149   1H2     G  13          1H2         G  13  -2.781   6.749  -0.955
  150   2H2     G  13          2H2         G  13  -3.514   7.045   0.593
  151   1H5*    G  14          1H5*        G  14   1.560   8.762  -4.749
  152   2H5*    G  14          2H5*        G  14   1.483  10.045  -5.939
  153    H4*    G  14           H4*        G  14  -0.676   9.949  -4.778
  154    H3*    G  14           H3*        G  14   1.034  12.329  -4.076
  155   1H2*    G  14          1H2*        G  14  -1.605  12.599  -2.821
  156   2H2*    G  14          2H2*        G  14  -0.015  12.740  -2.112
  157    H1*    G  14           H1*        G  14  -1.817  10.393  -2.313
  158    H8     G  14           H8         G  14   1.682  10.642  -0.796
  159    H1     G  14           H1         G  14  -2.962  10.269   3.627
  160   1H2     G  14          1H2         G  14  -5.084  10.564   0.986
  161   2H2     G  14          2H2         G  14  -4.898  10.313   2.714
  162    H3T    G  14           H3T        G  14  -0.197  12.333  -5.951
  163   1H5*    C  15          1H5*      NPC  15  -9.141 -10.292   2.491
  164   2H5*    C  15          2H5*      NPC  15 -10.694  -9.554   2.850
  165    H4*    C  15           H4*      NPC  15  -9.831 -10.023   4.980
  166    H3*    C  15           H3*      NPC  15 -10.058  -7.264   4.420
  167   1H2*    C  15          1H2*      NPC  15  -7.843  -6.698   5.904
  168   2H2*    C  15          2H2*      NPC  15  -7.795  -6.776   4.134
  169    H1*    C  15           H1*      NPC  15  -6.956  -8.818   6.195
  170    H3     C  15           H3       NPC  15  -2.771  -8.974   4.989
  171   1H4     C  15          1H4       NPC  15  -2.223  -8.354   1.592
  172   2H4     C  15          2H4       NPC  15  -1.387  -8.856   3.016
  173    H5     C  15           H5       NPC  15  -4.517  -8.203   1.321
  174    H6     C  15           H6       NPC  15  -6.757  -8.232   2.513
  175    H5T    C  15           H5T      NPC  15  -9.763  -7.530   2.520
  176   1H5*    T  16          1H5*        T  16  -9.129  -7.849   9.159
  177   2H5*    T  16          2H5*        T  16  -9.962  -6.553  10.011
  178    H4*    T  16           H4*        T  16  -7.660  -7.164  10.903
  179    H3*    T  16           H3*        T  16  -8.549  -4.410  10.611
  180   1H2*    T  16          1H2*        T  16  -5.821  -3.848  10.733
  181   2H2*    T  16          2H2*        T  16  -6.811  -3.828   9.268
  182    H1*    T  16           H1*        T  16  -5.107  -6.005  10.453
  183    H3     T  16           H3         T  16  -1.921  -5.806   7.260
  184   1H5M    T  16          1H5M        T  16  -5.769  -5.331   4.097
  185   2H5M    T  16          2H5M        T  16  -6.612  -4.063   4.992
  186   3H5M    T  16          3H5M        T  16  -5.054  -3.735   4.261
  187    H6     T  16           H6         T  16  -6.649  -4.853   7.354
  188   1H5*    T  17          1H5*        T  17  -4.965  -2.825  12.413
  189   2H5*    T  17          2H5*        T  17  -4.467  -4.532  12.519
  190    H4*    T  17           H4*        T  17  -3.314  -3.942  14.720
  191    H3*    T  17           H3*        T  17  -4.641  -1.642  14.965
  192   1H2*    T  17          1H2*        T  17  -3.003   0.038  13.567
  193   2H2*    T  17          2H2*        T  17  -4.272  -0.881  12.706
  194    H1*    T  17           H1*        T  17  -1.251  -1.476  12.868
  195    H3     T  17           H3         T  17  -0.055  -2.753   8.754
  196   1H5M    T  17          1H5M        T  17  -5.436  -1.780   8.712
  197   2H5M    T  17          2H5M        T  17  -4.572  -0.606   7.756
  198   3H5M    T  17          3H5M        T  17  -4.604  -2.307   7.255
  199    H6     T  17           H6         T  17  -4.307  -1.464  10.661
  200   1H5*    G  18          1H5*        G  18  -0.105  -1.044  15.661
  201   2H5*    G  18          2H5*        G  18   0.381   0.269  16.795
  202    H4*    G  18           H4*        G  18   1.991   0.147  14.866
  203    H3*    G  18           H3*        G  18   0.437   2.595  15.095
  204   1H2*    G  18          1H2*        G  18   2.672   2.155  13.042
  205   2H2*    G  18          2H2*        G  18   1.332   3.242  12.773
  206    H1*    G  18           H1*        G  18   1.399   0.663  11.645
  207    H8     G  18           H8         G  18  -1.348   2.360  13.768
  208    H1     G  18           H1         G  18  -2.758   1.767   7.501
  209   1H2     G  18          1H2         G  18   0.044   0.551   7.038
  210   2H2     G  18          2H2         G  18  -1.519   0.952   6.448
  211   1H5*    T  19          1H5*        T  19   4.767   2.850  13.719
  212   2H5*    T  19          2H5*        T  19   5.566   4.103  14.645
  213    H4*    T  19           H4*        T  19   6.435   4.268  12.433
  214    H3*    T  19           H3*        T  19   4.821   6.588  13.295
  215   1H2*    T  19          1H2*        T  19   4.675   7.214  10.581
  216   2H2*    T  19          2H2*        T  19   3.454   6.608  11.525
  217    H1*    T  19           H1*        T  19   5.499   5.095   9.846
  218    H3     T  19           H3         T  19   2.387   3.829   6.547
  219   1H5M    T  19          1H5M        T  19  -0.389   5.871  10.536
  220   2H5M    T  19          2H5M        T  19  -1.158   4.429   9.841
  221   3H5M    T  19          3H5M        T  19  -0.151   4.343  11.292
  222    H6     T  19           H6         T  19   2.030   5.030  11.226
  223   1H5*    C  20          1H5*      NPC  20   8.206   6.446   9.867
  224   2H5*    C  20          2H5*      NPC  20   9.050   8.004   9.897
  225    H4*    C  20           H4*      NPC  20   8.984   7.018   7.596
  226    H3*    C  20           H3*      NPC  20   7.835   9.688   8.244
  227   1H2*    C  20          1H2*      NPC  20   7.460   9.249   5.378
  228   2H2*    C  20          2H2*      NPC  20   6.260   9.637   6.649
  229    H1*    C  20           H1*      NPC  20   6.899   6.960   5.500
  230    H3     C  20           H3       NPC  20   2.600   7.198   4.275
  231   1H4     C  20          1H4       NPC  20   0.462   7.827   6.974
  232   2H4     C  20          2H4       NPC  20   0.454   7.459   5.315
  233    H5     C  20           H5       NPC  20   2.546   7.970   8.432
  234    H6     C  20           H6       NPC  20   4.956   8.107   8.279
  235   1H5*    C  21          1H5*      NPC  21   8.974   9.651   4.136
  236   2H5*    C  21          2H5*      NPC  21  10.345  10.756   3.978
  237    H4*    C  21           H4*      NPC  21   9.159  10.939   2.031
  238    H3*    C  21           H3*      NPC  21   8.820  13.247   3.747
  239   1H2*    C  21          1H2*      NPC  21   6.952  13.659   1.399
  240   2H2*    C  21          2H2*      NPC  21   6.416  13.518   3.113
  241    H1*    C  21           H1*      NPC  21   6.366  11.384   0.968
  242    H3     C  21           H3       NPC  21   2.113  11.029   2.445
  243   1H4     C  21          1H4       NPC  21   1.930  11.060   5.917
  244   2H4     C  21          2H4       NPC  21   0.947  10.821   4.520
  245    H5     C  21           H5       NPC  21   4.131  11.403   6.004
  246    H6     C  21           H6       NPC  21   6.356  11.536   4.568
  247    H3T    C  21           H3T      NPC  21   9.244  14.370   1.951
   
  Start of MODEL          12
 Raw file had  247 H/Q atoms
  Start of MODEL   12
    1   1H5*    C   1          1H5*        C   1  -8.676  12.321   8.471
    2   2H5*    C   1          2H5*        C   1  -9.518  11.022   9.305
    3    H4*    C   1           H4*        C   1  -9.337  10.858   6.732
    4    H3*    C   1           H3*        C   1  -9.361   8.631   8.431
    5   1H2*    C   1          1H2*        C   1  -7.282   7.379   7.215
    6   2H2*    C   1          2H2*        C   1  -7.018   8.371   8.613
    7    H1*    C   1           H1*        C   1  -6.908   8.967   5.674
    8   1H4     C   1          1H4         C   1  -0.661  10.083   7.454
    9   2H4     C   1          2H4         C   1  -0.956  10.113   5.713
   10    H5     C   1           H5         C   1  -2.568   9.300   8.822
   11    H6     C   1           H6         C   1  -5.078   9.011   8.813
   12    H5T    C   1           H5T        C   1  -7.479  10.209   9.900
   13   1H5*    C   2          1H5*        C   2 -10.572   8.502   4.018
   14   2H5*    C   2          2H5*        C   2 -11.587   7.356   3.206
   15    H4*    C   2           H4*        C   2  -9.631   7.216   1.971
   16    H3*    C   2           H3*        C   2  -9.516   4.932   3.959
   17   1H2*    C   2          1H2*        C   2  -7.666   4.868   1.618
   18   2H2*    C   2          2H2*        C   2  -7.363   4.496   3.325
   19    H1*    C   2           H1*        C   2  -7.112   7.014   1.769
   20   1H4     C   2          1H4         C   2  -2.489   6.587   6.410
   21   2H4     C   2          2H4         C   2  -1.651   6.991   4.904
   22    H5     C   2           H5         C   2  -4.704   6.074   6.544
   23    H6     C   2           H6         C   2  -6.832   5.898   5.258
   24   1H5*    T   3          1H5*        T   3  -8.903   4.860  -0.365
   25   2H5*    T   3          2H5*        T   3  -9.687   3.559  -1.259
   26    H4*    T   3           H4*        T   3  -7.508   4.228  -2.311
   27    H3*    T   3           H3*        T   3  -8.126   1.494  -1.615
   28   1H2*    T   3          1H2*        T   3  -5.346   1.121  -1.640
   29   2H2*    T   3          2H2*        T   3  -6.278   1.119  -0.155
   30    H1*    T   3           H1*        T   3  -4.698   3.364  -1.415
   31    H3     T   3           H3         T   3  -1.873   3.601   2.037
   32   1H5M    T   3          1H5M        T   3  -5.616   3.164   5.061
   33   2H5M    T   3          2H5M        T   3  -6.853   2.412   4.052
   34   3H5M    T   3          3H5M        T   3  -5.509   1.458   4.661
   35    H6     T   3           H6         T   3  -6.549   2.457   1.663
   36   1H5*    A   4          1H5*        A   4  -4.447   2.301  -3.529
   37   2H5*    A   4          2H5*        A   4  -4.148   1.663  -5.133
   38    H4*    A   4           H4*        A   4  -2.045   1.745  -4.135
   39    H3*    A   4           H3*        A   4  -3.064  -1.096  -3.977
   40   1H2*    A   4          1H2*        A   4  -0.384  -1.067  -2.840
   41   2H2*    A   4          2H2*        A   4  -1.876  -1.526  -2.025
   42    H1*    A   4           H1*        A   4  -0.479   1.100  -2.112
   43    H8     A   4           H8         A   4  -3.534  -0.063  -0.130
   44   1H6     A   4          1H6         A   4   0.278   0.039   4.893
   45   2H6     A   4          2H6         A   4  -1.376  -0.241   4.415
   46    H2     A   4           H2         A   4   2.725   0.451   1.369
   47   1H5*    T   5          1H5*        T   5   1.271  -0.436  -4.390
   48   2H5*    T   5          2H5*        T   5   2.000  -1.348  -5.700
   49    H4*    T   5           H4*        T   5   3.556  -1.330  -3.812
   50    H3*    T   5           H3*        T   5   2.303  -3.911  -4.582
   51   1H2*    T   5          1H2*        T   5   3.926  -4.553  -2.276
   52   2H2*    T   5          2H2*        T   5   2.173  -4.727  -2.510
   53    H1*    T   5           H1*        T   5   3.723  -2.557  -1.193
   54    H3     T   5           H3         T   5   1.499  -3.308   2.691
   55   1H5M    T   5          1H5M        T   5  -2.063  -4.960  -0.586
   56   2H5M    T   5          2H5M        T   5  -2.601  -3.721   0.527
   57   3H5M    T   5          3H5M        T   5  -2.300  -3.310  -1.163
   58    H6     T   5           H6         T   5   0.218  -3.422  -1.963
   59   1H5*    T   6          1H5*        T   6   6.381  -4.266  -3.028
   60   2H5*    T   6          2H5*        T   6   7.483  -5.284  -3.950
   61    H4*    T   6           H4*        T   6   7.678  -5.897  -1.588
   62    H3*    T   6           H3*        T   6   6.524  -7.904  -3.439
   63   1H2*    T   6          1H2*        T   6   6.027  -9.176  -0.934
   64   2H2*    T   6          2H2*        T   6   4.840  -8.572  -2.047
   65    H1*    T   6           H1*        T   6   6.059  -7.201   0.353
   66    H3     T   6           H3         T   6   2.263  -6.749   2.709
   67   1H5M    T   6          1H5M        T   6   0.912  -6.806  -2.609
   68   2H5M    T   6          2H5M        T   6  -0.043  -7.765  -1.495
   69   3H5M    T   6          3H5M        T   6  -0.135  -6.012  -1.410
   70    H6     T   6           H6         T   6   3.234  -6.974  -2.018
   71   1H5*    C   7          1H5*        C   7   8.697  -9.418   0.368
   72   2H5*    C   7          2H5*        C   7   9.796 -10.730  -0.100
   73    H4*    C   7           H4*        C   7   8.786 -11.299   2.030
   74    H3*    C   7           H3*        C   7   8.349 -13.053  -0.262
   75   1H2*    C   7          1H2*        C   7   6.141 -14.048   1.170
   76   2H2*    C   7          2H2*        C   7   6.022 -12.965  -0.208
   77    H1*    C   7           H1*        C   7   6.091 -12.264   2.736
   78   1H4     C   7          1H4         C   7   0.340  -9.995   0.290
   79   2H4     C   7          2H4         C   7   0.415  -9.946   2.057
   80    H5     C   7           H5         C   7   2.495 -10.316  -0.879
   81    H6     C   7           H6         C   7   4.843 -11.138  -0.593
   82    H3T    C   7           H3T        C   7   8.390 -14.630   1.288
   83   1H5*    G   8          1H5*        G   8  -3.355 -12.436  12.873
   84   2H5*    G   8          2H5*        G   8  -4.033 -11.845  11.369
   85    H4*    G   8           H4*        G   8  -1.103 -12.717  11.729
   86    H3*    G   8           H3*        G   8  -2.381 -10.060  12.333
   87   1H2*    G   8          1H2*        G   8   0.005  -9.265  11.109
   88   2H2*    G   8          2H2*        G   8  -1.571  -9.095  10.453
   89    H1*    G   8           H1*        G   8   0.235 -11.333   9.837
   90    H8     G   8           H8         G   8  -2.839  -9.475   8.329
   91    H1     G   8           H1         G   8   1.927 -10.834   4.245
   92   1H2     G   8          1H2         G   8   3.339 -12.313   7.045
   93   2H2     G   8          2H2         G   8   3.541 -11.899   5.342
   94    H5T    G   8           H5T        G   8  -3.396 -13.840  10.444
   95   1H5*    A   9          1H5*        A   9   1.909 -10.239  12.253
   96   2H5*    A   9          2H5*        A   9   2.780  -9.394  13.532
   97    H4*    A   9           H4*        A   9   3.906  -8.787  11.551
   98    H3*    A   9           H3*        A   9   2.638  -6.839  12.820
   99   1H2*    A   9          1H2*        A   9   3.466  -5.452  10.402
  100   2H2*    A   9          2H2*        A   9   1.784  -5.784  10.906
  101    H1*    A   9           H1*        A   9   3.532  -7.591   9.096
  102    H8     A   9           H8         A   9  -0.282  -6.755   9.595
  103   1H6     A   9          1H6         A   9  -0.172  -6.416   3.297
  104   2H6     A   9          2H6         A   9  -1.172  -5.933   4.627
  105    H2     A   9           H2         A   9   3.862  -7.281   4.630
  106   1H5*    A  10          1H5*        A  10   6.633  -6.194  10.898
  107   2H5*    A  10          2H5*        A  10   8.009  -5.203  11.302
  108    H4*    A  10           H4*        A  10   7.274  -4.325   9.178
  109    H3*    A  10           H3*        A  10   6.488  -2.471  11.405
  110   1H2*    A  10          1H2*        A  10   5.747  -1.156   9.067
  111   2H2*    A  10          2H2*        A  10   4.739  -1.764  10.112
  112    H1*    A  10           H1*        A  10   5.799  -3.422   7.793
  113    H8     A  10           H8         A  10   2.602  -3.053   9.920
  114   1H6     A  10          1H6         A  10  -0.261  -3.300   4.238
  115   2H6     A  10          2H6         A  10  -0.656  -2.894   5.874
  116    H2     A  10           H2         A  10   3.971  -3.363   3.611
  117   1H5*    T  11          1H5*        T  11   9.412  -1.370   7.820
  118   2H5*    T  11          2H5*        T  11  10.386   0.060   8.016
  119    H4*    T  11           H4*        T  11   9.431  -0.270   5.644
  120    H3*    T  11           H3*        T  11   9.161   2.279   7.054
  121   1H2*    T  11          1H2*        T  11   7.375   2.669   4.803
  122   2H2*    T  11          2H2*        T  11   6.890   2.528   6.408
  123    H1*    T  11           H1*        T  11   7.136   0.286   4.338
  124    H3     T  11           H3         T  11   2.611   0.316   4.073
  125   1H5M    T  11          1H5M        T  11   3.979   1.206   9.306
  126   2H5M    T  11          2H5M        T  11   2.322   1.372   8.702
  127   3H5M    T  11          3H5M        T  11   2.972  -0.210   9.042
  128    H6     T  11           H6         T  11   5.859   0.863   7.627
  129   1H5*    A  12          1H5*        A  12   8.320   1.785   2.904
  130   2H5*    A  12          2H5*        A  12   9.446   2.539   1.812
  131    H4*    A  12           H4*        A  12   7.552   2.290   0.668
  132    H3*    A  12           H3*        A  12   7.959   5.178   1.593
  133   1H2*    A  12          1H2*        A  12   5.514   5.435   0.118
  134   2H2*    A  12          2H2*        A  12   5.726   5.769   1.775
  135    H1*    A  12           H1*        A  12   4.707   3.205   0.629
  136    H8     A  12           H8         A  12   5.224   4.081   4.213
  137   1H6     A  12          1H6         A  12  -1.190   3.865   4.343
  138   2H6     A  12          2H6         A  12  -0.001   4.231   5.469
  139    H2     A  12           H2         A  12   0.163   3.651   0.274
  140   1H5*    G  13          1H5*        G  13   5.837   4.895  -2.030
  141   2H5*    G  13          2H5*        G  13   6.438   5.760  -3.441
  142    H4*    G  13           H4*        G  13   4.110   5.904  -3.527
  143    H3*    G  13           H3*        G  13   5.272   8.519  -2.647
  144   1H2*    G  13          1H2*        G  13   2.488   9.032  -2.438
  145   2H2*    G  13          2H2*        G  13   3.611   8.906  -1.146
  146    H1*    G  13           H1*        G  13   1.833   6.652  -2.041
  147    H8     G  13           H8         G  13   4.091   7.613   0.926
  148    H1     G  13           H1         G  13  -2.101   6.907   2.388
  149   1H2     G  13          1H2         G  13  -2.581   6.509  -0.907
  150   2H2     G  13          2H2         G  13  -3.306   6.807   0.633
  151   1H5*    G  14          1H5*        G  14   1.287   8.587  -4.804
  152   2H5*    G  14          2H5*        G  14   1.136   9.896  -5.970
  153    H4*    G  14           H4*        G  14  -0.954   9.694  -4.733
  154    H3*    G  14           H3*        G  14   0.663  12.174  -4.263
  155   1H2*    G  14          1H2*        G  14  -1.658  12.484  -2.540
  156   2H2*    G  14          2H2*        G  14   0.032  12.386  -2.077
  157    H1*    G  14           H1*        G  14  -2.004  10.221  -2.239
  158    H8     G  14           H8         G  14   1.548  10.421  -0.828
  159    H1     G  14           H1         G  14  -2.919  10.105   3.745
  160   1H2     G  14          1H2         G  14  -5.160  10.447   1.105
  161   2H2     G  14          2H2         G  14  -4.939  10.215   2.838
  162    H3T    G  14           H3T        G  14  -0.896  12.066  -5.862
  163   1H5*    C  15          1H5*      NPC  15  -9.434 -10.467   2.629
  164   2H5*    C  15          2H5*      NPC  15 -10.875  -9.501   2.916
  165    H4*    C  15           H4*      NPC  15 -10.026 -10.073   5.084
  166    H3*    C  15           H3*      NPC  15 -10.236  -7.343   4.473
  167   1H2*    C  15          1H2*      NPC  15  -7.980  -6.687   5.792
  168   2H2*    C  15          2H2*      NPC  15  -7.985  -6.935   4.039
  169    H1*    C  15           H1*      NPC  15  -7.152  -8.803   6.267
  170    H3     C  15           H3       NPC  15  -2.940  -8.974   5.147
  171   1H4     C  15          1H4       NPC  15  -2.332  -8.508   1.743
  172   2H4     C  15          2H4       NPC  15  -1.533  -8.946   3.199
  173    H5     C  15           H5       NPC  15  -4.635  -8.465   1.414
  174    H6     C  15           H6       NPC  15  -6.880  -8.476   2.544
  175    H5T    C  15           H5T      NPC  15  -9.541  -7.639   2.582
  176   1H5*    T  16          1H5*        T  16  -8.657  -8.022   8.905
  177   2H5*    T  16          2H5*        T  16  -9.821  -7.160   9.896
  178    H4*    T  16           H4*        T  16  -7.684  -7.350  11.031
  179    H3*    T  16           H3*        T  16  -8.719  -4.694  10.775
  180   1H2*    T  16          1H2*        T  16  -6.129  -3.748  10.754
  181   2H2*    T  16          2H2*        T  16  -7.117  -3.944   9.328
  182    H1*    T  16           H1*        T  16  -5.077  -5.800  10.610
  183    H3     T  16           H3         T  16  -2.042  -5.859   7.302
  184   1H5M    T  16          1H5M        T  16  -5.336  -5.030   3.981
  185   2H5M    T  16          2H5M        T  16  -6.857  -5.013   4.883
  186   3H5M    T  16          3H5M        T  16  -5.875  -3.567   4.786
  187    H6     T  16           H6         T  16  -6.785  -4.974   7.441
  188   1H5*    T  17          1H5*        T  17  -4.972  -3.138  12.339
  189   2H5*    T  17          2H5*        T  17  -4.509  -4.808  12.764
  190    H4*    T  17           H4*        T  17  -3.278  -3.948  14.730
  191    H3*    T  17           H3*        T  17  -4.808  -1.764  14.966
  192   1H2*    T  17          1H2*        T  17  -3.375   0.020  13.464
  193   2H2*    T  17          2H2*        T  17  -4.571  -1.041  12.668
  194    H1*    T  17           H1*        T  17  -1.494  -1.394  12.771
  195    H3     T  17           H3         T  17  -0.266  -2.714   8.700
  196   1H5M    T  17          1H5M        T  17  -5.629  -1.967   8.449
  197   2H5M    T  17          2H5M        T  17  -4.882  -0.512   7.810
  198   3H5M    T  17          3H5M        T  17  -4.661  -2.056   6.992
  199    H6     T  17           H6         T  17  -4.548  -1.425  10.545
  200   1H5*    G  18          1H5*        G  18  -0.375  -0.931  15.835
  201   2H5*    G  18          2H5*        G  18   0.057   0.438  16.896
  202    H4*    G  18           H4*        G  18   1.697   0.195  14.995
  203    H3*    G  18           H3*        G  18   0.170   2.691  15.060
  204   1H2*    G  18          1H2*        G  18   2.467   2.118  13.100
  205   2H2*    G  18          2H2*        G  18   1.138   3.189  12.718
  206    H1*    G  18           H1*        G  18   1.216   0.527  11.761
  207    H8     G  18           H8         G  18  -1.603   2.333  13.706
  208    H1     G  18           H1         G  18  -2.585   1.684   7.339
  209   1H2     G  18          1H2         G  18   0.310   0.539   7.105
  210   2H2     G  18          2H2         G  18  -1.271   0.793   6.436
  211   1H5*    T  19          1H5*        T  19   4.524   2.864  13.714
  212   2H5*    T  19          2H5*        T  19   5.332   4.053  14.723
  213    H4*    T  19           H4*        T  19   6.301   4.234  12.581
  214    H3*    T  19           H3*        T  19   4.838   6.655  13.365
  215   1H2*    T  19          1H2*        T  19   4.661   7.279  10.687
  216   2H2*    T  19          2H2*        T  19   3.432   6.616  11.617
  217    H1*    T  19           H1*        T  19   5.515   5.135   9.950
  218    H3     T  19           H3         T  19   2.503   3.916   6.560
  219   1H5M    T  19          1H5M        T  19  -0.366   5.744  10.711
  220   2H5M    T  19          2H5M        T  19  -1.173   4.458   9.780
  221   3H5M    T  19          3H5M        T  19  -0.201   4.121  11.218
  222    H6     T  19           H6         T  19   2.002   5.011  11.246
  223   1H5*    C  20          1H5*      NPC  20   8.535   6.577   9.884
  224   2H5*    C  20          2H5*      NPC  20   9.180   8.239   9.957
  225    H4*    C  20           H4*      NPC  20   9.182   7.270   7.613
  226    H3*    C  20           H3*      NPC  20   7.852   9.840   8.364
  227   1H2*    C  20          1H2*      NPC  20   7.523   9.421   5.469
  228   2H2*    C  20          2H2*      NPC  20   6.318   9.760   6.734
  229    H1*    C  20           H1*      NPC  20   7.130   7.092   5.538
  230    H3     C  20           H3       NPC  20   2.837   7.161   4.248
  231   1H4     C  20          1H4       NPC  20   0.650   7.700   6.945
  232   2H4     C  20          2H4       NPC  20   0.658   7.335   5.288
  233    H5     C  20           H5       NPC  20   2.661   7.902   8.399
  234    H6     C  20           H6       NPC  20   5.073   8.104   8.322
  235   1H5*    C  21          1H5*      NPC  21   8.873  10.035   4.197
  236   2H5*    C  21          2H5*      NPC  21  10.245  11.129   4.157
  237    H4*    C  21           H4*      NPC  21   9.331  11.391   2.189
  238    H3*    C  21           H3*      NPC  21   8.658  13.632   3.829
  239   1H2*    C  21          1H2*      NPC  21   6.792  13.992   1.477
  240   2H2*    C  21          2H2*      NPC  21   6.240  13.658   3.150
  241    H1*    C  21           H1*      NPC  21   6.416  11.692   0.859
  242    H3     C  21           H3       NPC  21   2.160  10.896   2.247
  243   1H4     C  21          1H4       NPC  21   1.928  10.682   5.669
  244   2H4     C  21          2H4       NPC  21   1.005  10.500   4.231
  245    H5     C  21           H5       NPC  21   4.073  11.265   5.831
  246    H6     C  21           H6       NPC  21   6.321  11.592   4.517
  247    H3T    C  21           H3T      NPC  21   8.988  14.776   1.962
   
  Start of MODEL          13
 Raw file had  247 H/Q atoms
  Start of MODEL   13
    1   1H5*    C   1          1H5*        C   1  -8.736  12.565   8.149
    2   2H5*    C   1          2H5*        C   1 -10.155  11.596   8.372
    3    H4*    C   1           H4*        C   1  -9.241  11.020   6.222
    4    H3*    C   1           H3*        C   1  -9.546   8.898   8.151
    5   1H2*    C   1          1H2*        C   1  -7.442   7.582   6.995
    6   2H2*    C   1          2H2*        C   1  -7.202   8.516   8.440
    7    H1*    C   1           H1*        C   1  -6.982   9.226   5.548
    8   1H4     C   1          1H4         C   1  -0.732   9.721   7.558
    9   2H4     C   1          2H4         C   1  -0.893   9.985   5.815
   10    H5     C   1           H5         C   1  -2.701   9.106   8.788
   11    H6     C   1           H6         C   1  -5.223   8.983   8.701
   12    H5T    C   1           H5T        C   1  -8.920  10.166   9.618
   13   1H5*    C   2          1H5*        C   2 -10.676   8.810   3.902
   14   2H5*    C   2          2H5*        C   2 -11.745   7.759   3.035
   15    H4*    C   2           H4*        C   2  -9.766   7.628   1.771
   16    H3*    C   2           H3*        C   2  -9.656   5.281   3.686
   17   1H2*    C   2          1H2*        C   2  -7.889   5.247   1.291
   18   2H2*    C   2          2H2*        C   2  -7.599   4.789   2.983
   19    H1*    C   2           H1*        C   2  -7.201   7.412   1.600
   20   1H4     C   2          1H4         C   2  -2.765   6.303   6.333
   21   2H4     C   2          2H4         C   2  -1.853   6.773   4.905
   22    H5     C   2           H5         C   2  -5.012   6.022   6.367
   23    H6     C   2           H6         C   2  -7.138   6.109   5.015
   24   1H5*    T   3          1H5*        T   3  -9.140   4.897  -0.635
   25   2H5*    T   3          2H5*        T   3  -9.891   3.526  -1.381
   26    H4*    T   3           H4*        T   3  -7.675   4.134  -2.403
   27    H3*    T   3           H3*        T   3  -8.284   1.415  -1.600
   28   1H2*    T   3          1H2*        T   3  -5.525   1.056  -1.599
   29   2H2*    T   3          2H2*        T   3  -6.453   1.175  -0.105
   30    H1*    T   3           H1*        T   3  -4.872   3.331  -1.507
   31    H3     T   3           H3         T   3  -2.066   3.470   2.066
   32   1H5M    T   3          1H5M        T   3  -5.902   3.602   4.944
   33   2H5M    T   3          2H5M        T   3  -7.199   2.921   3.967
   34   3H5M    T   3          3H5M        T   3  -5.934   1.888   4.673
   35    H6     T   3           H6         T   3  -6.813   2.735   1.530
   36   1H5*    A   4          1H5*        A   4  -4.587   2.268  -3.528
   37   2H5*    A   4          2H5*        A   4  -4.262   1.547  -5.081
   38    H4*    A   4           H4*        A   4  -2.159   1.655  -4.006
   39    H3*    A   4           H3*        A   4  -3.243  -1.206  -4.006
   40   1H2*    A   4          1H2*        A   4  -0.616  -1.222  -2.768
   41   2H2*    A   4          2H2*        A   4  -2.133  -1.707  -2.027
   42    H1*    A   4           H1*        A   4  -0.695   0.927  -1.979
   43    H8     A   4           H8         A   4  -3.788  -0.192  -0.063
   44   1H6     A   4          1H6         A   4   0.091  -0.096   4.947
   45   2H6     A   4          2H6         A   4  -1.529  -0.598   4.509
   46    H2     A   4           H2         A   4   2.491   0.285   1.417
   47   1H5*    T   5          1H5*        T   5   1.034  -0.482  -4.188
   48   2H5*    T   5          2H5*        T   5   1.787  -1.210  -5.614
   49    H4*    T   5           H4*        T   5   3.365  -1.369  -3.766
   50    H3*    T   5           H3*        T   5   2.118  -3.912  -4.635
   51   1H2*    T   5          1H2*        T   5   3.779  -4.663  -2.392
   52   2H2*    T   5          2H2*        T   5   2.000  -4.819  -2.608
   53    H1*    T   5           H1*        T   5   3.590  -2.704  -1.229
   54    H3     T   5           H3         T   5   1.374  -3.412   2.671
   55   1H5M    T   5          1H5M        T   5  -2.751  -3.478   0.255
   56   2H5M    T   5          2H5M        T   5  -2.267  -3.815  -1.393
   57   3H5M    T   5          3H5M        T   5  -2.288  -5.107  -0.182
   58    H6     T   5           H6         T   5   0.068  -3.570  -1.987
   59   1H5*    T   6          1H5*        T   6   6.347  -4.345  -3.254
   60   2H5*    T   6          2H5*        T   6   7.320  -5.461  -4.187
   61    H4*    T   6           H4*        T   6   7.632  -5.894  -1.786
   62    H3*    T   6           H3*        T   6   6.393  -8.031  -3.438
   63   1H2*    T   6          1H2*        T   6   6.307  -9.104  -0.765
   64   2H2*    T   6          2H2*        T   6   4.982  -8.752  -1.853
   65    H1*    T   6           H1*        T   6   6.181  -7.040   0.339
   66    H3     T   6           H3         T   6   2.401  -6.878   2.763
   67   1H5M    T   6          1H5M        T   6   0.208  -8.081  -1.560
   68   2H5M    T   6          2H5M        T   6  -0.240  -6.454  -1.099
   69   3H5M    T   6          3H5M        T   6   0.857  -6.686  -2.456
   70    H6     T   6           H6         T   6   3.302  -7.061  -1.991
   71   1H5*    C   7          1H5*        C   7   9.069  -9.346   0.160
   72   2H5*    C   7          2H5*        C   7  10.042 -10.742  -0.270
   73    H4*    C   7           H4*        C   7   9.034 -11.037   2.009
   74    H3*    C   7           H3*        C   7   8.208 -12.890  -0.225
   75   1H2*    C   7          1H2*        C   7   6.834 -13.777   2.200
   76   2H2*    C   7          2H2*        C   7   6.180 -13.346   0.633
   77    H1*    C   7           H1*        C   7   6.559 -11.632   3.075
   78   1H4     C   7          1H4         C   7   0.606 -10.309   0.376
   79   2H4     C   7          2H4         C   7   0.637 -10.152   2.142
   80    H5     C   7           H5         C   7   2.793 -10.474  -0.699
   81    H6     C   7           H6         C   7   5.225 -11.087  -0.328
   82    H3T    C   7           H3T        C   7   9.108 -14.382   1.107
   83   1H5*    G   8          1H5*        G   8  -3.799 -12.294  12.690
   84   2H5*    G   8          2H5*        G   8  -4.156 -11.412  11.215
   85    H4*    G   8           H4*        G   8  -1.413 -12.696  11.841
   86    H3*    G   8           H3*        G   8  -2.402  -9.954  12.418
   87   1H2*    G   8          1H2*        G   8  -0.028  -9.274  11.164
   88   2H2*    G   8          2H2*        G   8  -1.584  -9.070  10.486
   89    H1*    G   8           H1*        G   8   0.192 -11.368   9.937
   90    H8     G   8           H8         G   8  -2.808  -9.467   8.310
   91    H1     G   8           H1         G   8   2.095 -10.816   4.397
   92   1H2     G   8          1H2         G   8   3.388 -12.285   7.238
   93   2H2     G   8          2H2         G   8   3.681 -11.851   5.543
   94    H5T    G   8           H5T        G   8  -4.905 -13.474  11.032
   95   1H5*    A   9          1H5*        A   9   1.903 -10.328  12.168
   96   2H5*    A   9          2H5*        A   9   2.803  -9.607  13.502
   97    H4*    A   9           H4*        A   9   3.972  -8.855  11.607
   98    H3*    A   9           H3*        A   9   2.644  -6.939  12.877
   99   1H2*    A   9          1H2*        A   9   3.570  -5.481  10.529
  100   2H2*    A   9          2H2*        A   9   1.883  -5.806  10.945
  101    H1*    A   9           H1*        A   9   3.689  -7.611   9.154
  102    H8     A   9           H8         A   9  -0.170  -6.791   9.605
  103   1H6     A   9          1H6         A   9  -0.034  -6.470   3.370
  104   2H6     A   9          2H6         A   9  -0.990  -5.920   4.698
  105    H2     A   9           H2         A   9   4.061  -7.277   4.717
  106   1H5*    A  10          1H5*        A  10   6.379  -6.124  10.796
  107   2H5*    A  10          2H5*        A  10   7.827  -5.259  11.276
  108    H4*    A  10           H4*        A  10   7.275  -4.315   9.064
  109    H3*    A  10           H3*        A  10   6.500  -2.412  11.239
  110   1H2*    A  10          1H2*        A  10   5.749  -1.113   8.900
  111   2H2*    A  10          2H2*        A  10   4.749  -1.704   9.968
  112    H1*    A  10           H1*        A  10   5.811  -3.341   7.623
  113    H8     A  10           H8         A  10   2.682  -3.114   9.837
  114   1H6     A  10          1H6         A  10  -0.367  -3.446   4.237
  115   2H6     A  10          2H6         A  10  -0.712  -2.990   5.884
  116    H2     A  10           H2         A  10   3.866  -3.371   3.501
  117   1H5*    T  11          1H5*        T  11   9.251  -1.448   7.695
  118   2H5*    T  11          2H5*        T  11  10.383  -0.099   7.706
  119    H4*    T  11           H4*        T  11   9.128  -0.360   5.477
  120    H3*    T  11           H3*        T  11   9.068   2.201   6.940
  121   1H2*    T  11          1H2*        T  11   7.283   2.640   4.695
  122   2H2*    T  11          2H2*        T  11   6.805   2.542   6.308
  123    H1*    T  11           H1*        T  11   6.943   0.209   4.317
  124    H3     T  11           H3         T  11   2.428   0.190   4.130
  125   1H5M    T  11          1H5M        T  11   3.768   0.478   9.341
  126   2H5M    T  11          2H5M        T  11   3.010   2.027   8.924
  127   3H5M    T  11          3H5M        T  11   2.126   0.507   8.798
  128    H6     T  11           H6         T  11   5.698   1.016   7.640
  129   1H5*    A  12          1H5*        A  12   8.144   1.591   2.964
  130   2H5*    A  12          2H5*        A  12   9.250   2.185   1.746
  131    H4*    A  12           H4*        A  12   7.320   2.068   0.696
  132    H3*    A  12           H3*        A  12   7.777   4.947   1.670
  133   1H2*    A  12          1H2*        A  12   5.305   5.247   0.254
  134   2H2*    A  12          2H2*        A  12   5.570   5.555   1.910
  135    H1*    A  12           H1*        A  12   4.568   2.980   0.735
  136    H8     A  12           H8         A  12   5.017   3.908   4.320
  137   1H6     A  12          1H6         A  12  -1.367   3.845   4.375
  138   2H6     A  12          2H6         A  12  -0.158   4.142   5.498
  139    H2     A  12           H2         A  12  -0.003   3.733   0.308
  140   1H5*    G  13          1H5*        G  13   5.773   4.787  -1.808
  141   2H5*    G  13          2H5*        G  13   6.359   5.639  -3.258
  142    H4*    G  13           H4*        G  13   4.038   5.826  -3.293
  143    H3*    G  13           H3*        G  13   5.303   8.396  -2.475
  144   1H2*    G  13          1H2*        G  13   2.572   9.053  -2.233
  145   2H2*    G  13          2H2*        G  13   3.709   8.831  -0.947
  146    H1*    G  13           H1*        G  13   1.796   6.711  -1.832
  147    H8     G  13           H8         G  13   4.088   7.537   1.156
  148    H1     G  13           H1         G  13  -2.174   6.946   2.479
  149   1H2     G  13          1H2         G  13  -2.554   6.614  -0.810
  150   2H2     G  13          2H2         G  13  -3.327   6.929   0.713
  151   1H5*    G  14          1H5*        G  14   1.347   8.602  -4.588
  152   2H5*    G  14          2H5*        G  14   1.289   9.842  -5.843
  153    H4*    G  14           H4*        G  14  -0.752  10.045  -4.544
  154    H3*    G  14           H3*        G  14   1.254  12.225  -4.081
  155   1H2*    G  14          1H2*        G  14  -1.024  12.871  -2.390
  156   2H2*    G  14          2H2*        G  14   0.635  12.585  -1.897
  157    H1*    G  14           H1*        G  14  -1.643  10.675  -2.059
  158    H8     G  14           H8         G  14   1.928  10.628  -0.581
  159    H1     G  14           H1         G  14  -2.777  10.147   3.775
  160   1H2     G  14          1H2         G  14  -4.821  10.492   1.075
  161   2H2     G  14          2H2         G  14  -4.686  10.378   2.825
  162    H3T    G  14           H3T        G  14  -0.287  12.329  -5.709
  163   1H5*    C  15          1H5*      NPC  15  -9.288 -10.473   2.500
  164   2H5*    C  15          2H5*      NPC  15 -10.831  -9.706   2.899
  165    H4*    C  15           H4*      NPC  15  -9.952 -10.193   5.020
  166    H3*    C  15           H3*      NPC  15 -10.182  -7.470   4.475
  167   1H2*    C  15          1H2*      NPC  15  -7.864  -6.774   5.659
  168   2H2*    C  15          2H2*      NPC  15  -7.922  -7.117   3.929
  169    H1*    C  15           H1*      NPC  15  -7.056  -8.902   6.183
  170    H3     C  15           H3       NPC  15  -2.833  -9.121   5.063
  171   1H4     C  15          1H4       NPC  15  -2.235  -8.846   1.640
  172   2H4     C  15          2H4       NPC  15  -1.404  -9.179   3.107
  173    H5     C  15           H5       NPC  15  -4.543  -8.836   1.310
  174    H6     C  15           H6       NPC  15  -6.804  -8.707   2.472
  175    H5T    C  15           H5T      NPC  15  -9.779  -7.680   2.642
  176   1H5*    T  16          1H5*        T  16  -8.956  -8.108   9.108
  177   2H5*    T  16          2H5*        T  16  -9.946  -7.014  10.069
  178    H4*    T  16           H4*        T  16  -7.644  -7.350  11.000
  179    H3*    T  16           H3*        T  16  -8.639  -4.666  10.683
  180   1H2*    T  16          1H2*        T  16  -5.950  -3.942  10.708
  181   2H2*    T  16          2H2*        T  16  -6.964  -4.029   9.265
  182    H1*    T  16           H1*        T  16  -5.112  -6.084  10.507
  183    H3     T  16           H3         T  16  -1.936  -5.910   7.296
  184   1H5M    T  16          1H5M        T  16  -5.636  -3.524   4.740
  185   2H5M    T  16          2H5M        T  16  -5.057  -4.970   3.941
  186   3H5M    T  16          3H5M        T  16  -6.618  -4.998   4.724
  187    H6     T  16           H6         T  16  -6.687  -5.056   7.328
  188   1H5*    T  17          1H5*        T  17  -4.986  -3.013  12.394
  189   2H5*    T  17          2H5*        T  17  -4.491  -4.724  12.639
  190    H4*    T  17           H4*        T  17  -3.305  -4.020  14.715
  191    H3*    T  17           H3*        T  17  -4.659  -1.766  15.052
  192   1H2*    T  17          1H2*        T  17  -3.188  -0.019  13.560
  193   2H2*    T  17          2H2*        T  17  -4.427  -1.003  12.734
  194    H1*    T  17           H1*        T  17  -1.376  -1.494  12.854
  195    H3     T  17           H3         T  17  -0.215  -2.720   8.708
  196   1H5M    T  17          1H5M        T  17  -5.555  -2.139   8.559
  197   2H5M    T  17          2H5M        T  17  -4.939  -0.576   8.102
  198   3H5M    T  17          3H5M        T  17  -4.594  -1.968   7.084
  199    H6     T  17           H6         T  17  -4.472  -1.537  10.653
  200   1H5*    G  18          1H5*        G  18  -0.096  -1.144  15.501
  201   2H5*    G  18          2H5*        G  18   0.441   0.102  16.694
  202    H4*    G  18           H4*        G  18   1.989   0.096  14.728
  203    H3*    G  18           H3*        G  18   0.385   2.515  15.088
  204   1H2*    G  18          1H2*        G  18   2.599   2.254  12.956
  205   2H2*    G  18          2H2*        G  18   1.229   3.285  12.748
  206    H1*    G  18           H1*        G  18   1.348   0.723  11.541
  207    H8     G  18           H8         G  18  -1.455   2.315  13.775
  208    H1     G  18           H1         G  18  -2.757   1.775   7.457
  209   1H2     G  18          1H2         G  18   0.094   0.740   7.003
  210   2H2     G  18          2H2         G  18  -1.509   1.039   6.429
  211   1H5*    T  19          1H5*        T  19   4.855   2.960  13.660
  212   2H5*    T  19          2H5*        T  19   5.537   4.272  14.599
  213    H4*    T  19           H4*        T  19   6.426   4.393  12.394
  214    H3*    T  19           H3*        T  19   4.912   6.733  13.295
  215   1H2*    T  19          1H2*        T  19   4.721   7.416  10.647
  216   2H2*    T  19          2H2*        T  19   3.474   6.766  11.551
  217    H1*    T  19           H1*        T  19   5.504   5.301   9.814
  218    H3     T  19           H3         T  19   2.363   4.007   6.557
  219   1H5M    T  19          1H5M        T  19  -0.404   5.875  10.721
  220   2H5M    T  19          2H5M        T  19  -1.198   4.568   9.795
  221   3H5M    T  19          3H5M        T  19  -0.210   4.234  11.216
  222    H6     T  19           H6         T  19   2.016   5.172  11.231
  223   1H5*    C  20          1H5*      NPC  20   8.360   6.703   9.901
  224   2H5*    C  20          2H5*      NPC  20   9.188   8.260   9.906
  225    H4*    C  20           H4*      NPC  20   9.151   7.282   7.640
  226    H3*    C  20           H3*      NPC  20   7.988   9.953   8.245
  227   1H2*    C  20          1H2*      NPC  20   7.612   9.478   5.381
  228   2H2*    C  20          2H2*      NPC  20   6.418   9.864   6.661
  229    H1*    C  20           H1*      NPC  20   7.045   7.168   5.544
  230    H3     C  20           H3       NPC  20   2.729   7.258   4.346
  231   1H4     C  20          1H4       NPC  20   0.667   7.833   7.139
  232   2H4     C  20          2H4       NPC  20   0.570   7.475   5.481
  233    H5     C  20           H5       NPC  20   2.640   8.132   8.465
  234    H6     C  20           H6       NPC  20   5.102   8.318   8.310
  235   1H5*    C  21          1H5*      NPC  21   9.152   9.875   4.078
  236   2H5*    C  21          2H5*      NPC  21  10.491  11.019   3.887
  237    H4*    C  21           H4*      NPC  21   9.162  11.253   1.966
  238    H3*    C  21           H3*      NPC  21   8.964  13.478   3.828
  239   1H2*    C  21          1H2*      NPC  21   7.101  14.001   1.482
  240   2H2*    C  21          2H2*      NPC  21   6.549  13.835   3.184
  241    H1*    C  21           H1*      NPC  21   6.404  11.732   1.031
  242    H3     C  21           H3       NPC  21   2.159  11.448   2.594
  243   1H4     C  21          1H4       NPC  21   2.007  11.415   6.021
  244   2H4     C  21          2H4       NPC  21   1.026  11.101   4.633
  245    H5     C  21           H5       NPC  21   4.250  11.659   6.092
  246    H6     C  21           H6       NPC  21   6.464  11.830   4.638
  247    H3T    C  21           H3T      NPC  21   9.397  14.661   2.127
   
  Start of MODEL          14
 Raw file had  247 H/Q atoms
  Start of MODEL   14
    1   1H5*    C   1          1H5*        C   1  -8.803  13.034   7.875
    2   2H5*    C   1          2H5*        C   1  -9.799  11.854   8.691
    3    H4*    C   1           H4*        C   1  -9.417  11.410   6.202
    4    H3*    C   1           H3*        C   1  -9.545   9.390   8.175
    5   1H2*    C   1          1H2*        C   1  -7.517   7.940   6.934
    6   2H2*    C   1          2H2*        C   1  -7.219   8.938   8.333
    7    H1*    C   1           H1*        C   1  -7.060   9.450   5.376
    8   1H4     C   1          1H4         C   1  -0.847   9.997   7.420
    9   2H4     C   1          2H4         C   1  -0.947  10.263   5.687
   10    H5     C   1           H5         C   1  -2.796   9.603   8.673
   11    H6     C   1           H6         C   1  -5.308   9.546   8.562
   12    H5T    C   1           H5T        C   1  -7.829  10.876   9.378
   13   1H5*    C   2          1H5*        C   2 -10.737   8.905   3.891
   14   2H5*    C   2          2H5*        C   2 -11.715   7.764   3.087
   15    H4*    C   2           H4*        C   2  -9.727   7.724   1.839
   16    H3*    C   2           H3*        C   2  -9.756   5.314   3.717
   17   1H2*    C   2          1H2*        C   2  -7.783   5.246   1.438
   18   2H2*    C   2          2H2*        C   2  -7.574   4.916   3.210
   19    H1*    C   2           H1*        C   2  -7.236   7.434   1.672
   20   1H4     C   2          1H4         C   2  -2.755   6.714   6.451
   21   2H4     C   2          2H4         C   2  -1.864   7.018   4.925
   22    H5     C   2           H5         C   2  -5.058   6.442   6.498
   23    H6     C   2           H6         C   2  -7.127   6.325   5.105
   24   1H5*    T   3          1H5*        T   3  -8.961   5.100  -0.717
   25   2H5*    T   3          2H5*        T   3  -9.807   3.810  -1.441
   26    H4*    T   3           H4*        T   3  -7.677   4.266  -2.623
   27    H3*    T   3           H3*        T   3  -8.293   1.589  -1.830
   28   1H2*    T   3          1H2*        T   3  -5.597   1.152  -1.806
   29   2H2*    T   3          2H2*        T   3  -6.509   1.218  -0.301
   30    H1*    T   3           H1*        T   3  -4.775   3.343  -1.651
   31    H3     T   3           H3         T   3  -2.163   3.566   1.972
   32   1H5M    T   3          1H5M        T   3  -6.175   3.542   4.712
   33   2H5M    T   3          2H5M        T   3  -7.302   2.664   3.677
   34   3H5M    T   3          3H5M        T   3  -5.997   1.795   4.534
   35    H6     T   3           H6         T   3  -6.844   2.742   1.341
   36   1H5*    A   4          1H5*        A   4  -4.567   2.223  -3.715
   37   2H5*    A   4          2H5*        A   4  -4.212   1.501  -5.295
   38    H4*    A   4           H4*        A   4  -2.154   1.591  -4.152
   39    H3*    A   4           H3*        A   4  -3.244  -1.235  -4.005
   40   1H2*    A   4          1H2*        A   4  -0.579  -1.141  -2.780
   41   2H2*    A   4          2H2*        A   4  -2.102  -1.672  -2.039
   42    H1*    A   4           H1*        A   4  -0.710   1.005  -2.054
   43    H8     A   4           H8         A   4  -3.878  -0.151  -0.192
   44   1H6     A   4          1H6         A   4  -0.239  -0.225   4.955
   45   2H6     A   4          2H6         A   4  -1.842  -0.556   4.366
   46    H2     A   4           H2         A   4   2.339   0.297   1.459
   47   1H5*    T   5          1H5*        T   5   1.138  -0.584  -4.260
   48   2H5*    T   5          2H5*        T   5   1.895  -1.464  -5.599
   49    H4*    T   5           H4*        T   5   3.438  -1.492  -3.701
   50    H3*    T   5           H3*        T   5   2.096  -4.048  -4.465
   51   1H2*    T   5          1H2*        T   5   3.725  -4.717  -2.176
   52   2H2*    T   5          2H2*        T   5   1.967  -4.855  -2.408
   53    H1*    T   5           H1*        T   5   3.622  -2.723  -1.107
   54    H3     T   5           H3         T   5   1.373  -3.516   2.835
   55   1H5M    T   5          1H5M        T   5  -2.669  -4.087   0.720
   56   2H5M    T   5          2H5M        T   5  -2.503  -3.161  -0.767
   57   3H5M    T   5          3H5M        T   5  -2.143  -4.892  -0.759
   58    H6     T   5           H6         T   5   0.068  -3.488  -1.866
   59   1H5*    T   6          1H5*        T   6   6.377  -4.617  -3.273
   60   2H5*    T   6          2H5*        T   6   7.273  -5.680  -4.392
   61    H4*    T   6           H4*        T   6   7.796  -6.337  -2.097
   62    H3*    T   6           H3*        T   6   6.251  -8.260  -3.720
   63   1H2*    T   6          1H2*        T   6   6.301  -9.500  -1.131
   64   2H2*    T   6          2H2*        T   6   4.885  -8.994  -2.068
   65    H1*    T   6           H1*        T   6   6.424  -7.565   0.124
   66    H3     T   6           H3         T   6   2.799  -7.095   2.847
   67   1H5M    T   6          1H5M        T   6   0.302  -8.077  -1.379
   68   2H5M    T   6          2H5M        T   6   0.007  -6.404  -0.970
   69   3H5M    T   6          3H5M        T   6   1.018  -6.823  -2.328
   70    H6     T   6           H6         T   6   3.408  -7.214  -2.003
   71   1H5*    C   7          1H5*        C   7   8.697  -9.439  -0.322
   72   2H5*    C   7          2H5*        C   7   9.948 -10.702  -0.645
   73    H4*    C   7           H4*        C   7   9.151 -11.027   1.632
   74    H3*    C   7           H3*        C   7   8.425 -13.066  -0.420
   75   1H2*    C   7          1H2*        C   7   6.773 -13.978   1.709
   76   2H2*    C   7          2H2*        C   7   6.234 -13.281   0.198
   77    H1*    C   7           H1*        C   7   6.681 -11.890   2.854
   78   1H4     C   7          1H4         C   7   0.601 -10.435   0.572
   79   2H4     C   7          2H4         C   7   0.693 -10.237   2.322
   80    H5     C   7           H5         C   7   2.698 -10.530  -0.637
   81    H6     C   7           H6         C   7   5.121 -11.179  -0.413
   82    H3T    C   7           H3T        C   7   9.293 -14.384   0.982
   83   1H5*    G   8          1H5*        G   8  -3.661 -11.941  12.785
   84   2H5*    G   8          2H5*        G   8  -3.997 -11.314  11.168
   85    H4*    G   8           H4*        G   8  -1.342 -12.672  11.936
   86    H3*    G   8           H3*        G   8  -2.177  -9.857  12.485
   87   1H2*    G   8          1H2*        G   8   0.159  -9.223  11.263
   88   2H2*    G   8          2H2*        G   8  -1.418  -9.037  10.568
   89    H1*    G   8           H1*        G   8   0.408 -11.303  10.083
   90    H8     G   8           H8         G   8  -2.594  -9.495   8.440
   91    H1     G   8           H1         G   8   2.329 -10.679   4.483
   92   1H2     G   8          1H2         G   8   3.751 -11.989   7.270
   93   2H2     G   8          2H2         G   8   3.945 -11.703   5.544
   94    H5T    G   8           H5T        G   8  -4.762 -13.443  11.523
   95   1H5*    A   9          1H5*        A   9   1.964 -10.327  12.214
   96   2H5*    A   9          2H5*        A   9   2.923  -9.797  13.507
   97    H4*    A   9           H4*        A   9   4.100  -8.955  11.709
   98    H3*    A   9           H3*        A   9   2.938  -6.996  13.078
   99   1H2*    A   9          1H2*        A   9   3.522  -5.459  10.765
  100   2H2*    A   9          2H2*        A   9   1.866  -5.914  11.220
  101    H1*    A   9           H1*        A   9   3.794  -7.480   9.352
  102    H8     A   9           H8         A   9  -0.069  -6.793   9.690
  103   1H6     A   9          1H6         A   9   0.358  -6.546   3.437
  104   2H6     A   9          2H6         A   9  -0.724  -6.019   4.691
  105    H2     A   9           H2         A   9   4.335  -7.310   4.923
  106   1H5*    A  10          1H5*        A  10   6.795  -6.347  10.905
  107   2H5*    A  10          2H5*        A  10   8.162  -5.341  11.215
  108    H4*    A  10           H4*        A  10   7.333  -4.503   9.116
  109    H3*    A  10           H3*        A  10   6.506  -2.618  11.335
  110   1H2*    A  10          1H2*        A  10   5.888  -1.380   8.903
  111   2H2*    A  10          2H2*        A  10   4.865  -1.893  10.002
  112    H1*    A  10           H1*        A  10   5.796  -3.662   7.776
  113    H8     A  10           H8         A  10   2.742  -3.167  10.033
  114   1H6     A  10          1H6         A  10  -0.336  -3.423   4.411
  115   2H6     A  10          2H6         A  10  -0.713  -3.026   6.064
  116    H2     A  10           H2         A  10   3.866  -3.424   3.680
  117   1H5*    T  11          1H5*        T  11   8.454  -1.773   7.532
  118   2H5*    T  11          2H5*        T  11   9.895  -0.704   7.601
  119    H4*    T  11           H4*        T  11   8.820  -0.508   5.382
  120    H3*    T  11           H3*        T  11   8.717   1.915   7.016
  121   1H2*    T  11          1H2*        T  11   6.993   2.576   4.824
  122   2H2*    T  11          2H2*        T  11   6.451   2.370   6.428
  123    H1*    T  11           H1*        T  11   6.523   0.321   4.164
  124    H3     T  11           H3         T  11   2.038   0.178   4.176
  125   1H5M    T  11          1H5M        T  11   1.794   0.573   8.855
  126   2H5M    T  11          2H5M        T  11   3.183  -0.429   9.250
  127   3H5M    T  11          3H5M        T  11   3.336   1.339   9.246
  128    H6     T  11           H6         T  11   5.403   0.688   7.583
  129   1H5*    A  12          1H5*        A  12   8.147   1.729   2.855
  130   2H5*    A  12          2H5*        A  12   9.195   2.554   1.790
  131    H4*    A  12           H4*        A  12   7.242   2.259   0.731
  132    H3*    A  12           H3*        A  12   7.678   5.111   1.584
  133   1H2*    A  12          1H2*        A  12   5.156   5.335   0.250
  134   2H2*    A  12          2H2*        A  12   5.439   5.741   1.862
  135    H1*    A  12           H1*        A  12   4.412   3.093   0.759
  136    H8     A  12           H8         A  12   4.876   4.142   4.368
  137   1H6     A  12          1H6         A  12  -1.558   3.906   4.351
  138   2H6     A  12          2H6         A  12  -0.350   4.193   5.502
  139    H2     A  12           H2         A  12  -0.071   3.633   0.291
  140   1H5*    G  13          1H5*        G  13   5.479   4.955  -1.857
  141   2H5*    G  13          2H5*        G  13   6.137   5.712  -3.333
  142    H4*    G  13           H4*        G  13   3.811   6.054  -3.414
  143    H3*    G  13           H3*        G  13   5.249   8.553  -2.702
  144   1H2*    G  13          1H2*        G  13   2.692   9.411  -2.215
  145   2H2*    G  13          2H2*        G  13   3.845   9.026  -0.979
  146    H1*    G  13           H1*        G  13   1.666   7.150  -1.926
  147    H8     G  13           H8         G  13   4.043   7.724   1.075
  148    H1     G  13           H1         G  13  -2.234   7.180   2.437
  149   1H2     G  13          1H2         G  13  -2.527   7.005  -0.956
  150   2H2     G  13          2H2         G  13  -3.382   7.174   0.568
  151   1H5*    G  14          1H5*        G  14   1.217   8.678  -4.712
  152   2H5*    G  14          2H5*        G  14   1.028   9.865  -5.999
  153    H4*    G  14           H4*        G  14  -1.003   9.906  -4.665
  154    H3*    G  14           H3*        G  14   0.601  12.342  -4.791
  155   1H2*    G  14          1H2*        G  14  -0.488  13.100  -2.304
  156   2H2*    G  14          2H2*        G  14   1.104  12.264  -2.459
  157    H1*    G  14           H1*        G  14  -1.568  11.090  -2.085
  158    H8     G  14           H8         G  14   1.999  11.010  -0.668
  159    H1     G  14           H1         G  14  -2.716  10.258   3.600
  160   1H2     G  14          1H2         G  14  -4.733  10.301   0.877
  161   2H2     G  14          2H2         G  14  -4.657  10.368   2.610
  162    H3T    G  14           H3T        G  14  -1.637  12.111  -5.395
  163   1H5*    C  15          1H5*      NPC  15  -9.124 -10.319   2.271
  164   2H5*    C  15          2H5*      NPC  15 -10.516  -9.381   2.730
  165    H4*    C  15           H4*      NPC  15  -9.683 -10.135   4.753
  166    H3*    C  15           H3*      NPC  15  -9.838  -7.341   4.308
  167   1H2*    C  15          1H2*      NPC  15  -7.610  -6.852   5.796
  168   2H2*    C  15          2H2*      NPC  15  -7.558  -6.953   4.007
  169    H1*    C  15           H1*      NPC  15  -6.822  -9.004   6.105
  170    H3     C  15           H3       NPC  15  -2.584  -9.138   5.090
  171   1H4     C  15          1H4       NPC  15  -1.932  -8.612   1.676
  172   2H4     C  15          2H4       NPC  15  -1.132  -8.979   3.164
  173    H5     C  15           H5       NPC  15  -4.170  -8.409   1.319
  174    H6     C  15           H6       NPC  15  -6.445  -8.405   2.461
  175    H5T    C  15           H5T      NPC  15  -9.334  -7.503   2.403
  176   1H5*    T  16          1H5*        T  16  -8.715  -8.137   9.008
  177   2H5*    T  16          2H5*        T  16  -9.743  -6.986   9.906
  178    H4*    T  16           H4*        T  16  -7.438  -7.301  10.932
  179    H3*    T  16           H3*        T  16  -8.481  -4.670  10.402
  180   1H2*    T  16          1H2*        T  16  -5.796  -3.951  10.654
  181   2H2*    T  16          2H2*        T  16  -6.712  -3.969   9.155
  182    H1*    T  16           H1*        T  16  -4.902  -6.033  10.449
  183    H3     T  16           H3         T  16  -1.760  -6.026   7.228
  184   1H5M    T  16          1H5M        T  16  -5.432  -3.604   4.653
  185   2H5M    T  16          2H5M        T  16  -4.917  -5.105   3.855
  186   3H5M    T  16          3H5M        T  16  -6.476  -5.045   4.720
  187    H6     T  16           H6         T  16  -6.446  -5.020   7.288
  188   1H5*    T  17          1H5*        T  17  -5.077  -2.833  12.383
  189   2H5*    T  17          2H5*        T  17  -4.686  -4.556  12.633
  190    H4*    T  17           H4*        T  17  -3.523  -3.951  14.794
  191    H3*    T  17           H3*        T  17  -4.750  -1.597  15.065
  192   1H2*    T  17          1H2*        T  17  -3.154   0.021  13.633
  193   2H2*    T  17          2H2*        T  17  -4.453  -0.852  12.812
  194    H1*    T  17           H1*        T  17  -1.412  -1.496  12.945
  195    H3     T  17           H3         T  17  -0.234  -2.812   8.826
  196   1H5M    T  17          1H5M        T  17  -5.537  -2.323   8.470
  197   2H5M    T  17          2H5M        T  17  -5.113  -0.639   8.378
  198   3H5M    T  17          3H5M        T  17  -4.559  -1.705   7.125
  199    H6     T  17           H6         T  17  -4.505  -1.393  10.703
  200   1H5*    G  18          1H5*        G  18  -0.053  -1.111  15.691
  201   2H5*    G  18          2H5*        G  18   0.393   0.232  16.828
  202    H4*    G  18           H4*        G  18   1.987   0.115  14.850
  203    H3*    G  18           H3*        G  18   0.438   2.569  15.146
  204   1H2*    G  18          1H2*        G  18   2.600   2.161  13.001
  205   2H2*    G  18          2H2*        G  18   1.241   3.230  12.793
  206    H1*    G  18           H1*        G  18   1.260   0.668  11.666
  207    H8     G  18           H8         G  18  -1.383   2.338  13.824
  208    H1     G  18           H1         G  18  -2.910   1.658   7.660
  209   1H2     G  18          1H2         G  18  -0.188   0.458   7.105
  210   2H2     G  18          2H2         G  18  -1.765   0.760   6.587
  211   1H5*    T  19          1H5*        T  19   4.614   2.840  13.638
  212   2H5*    T  19          2H5*        T  19   5.468   4.094  14.580
  213    H4*    T  19           H4*        T  19   6.250   4.243  12.370
  214    H3*    T  19           H3*        T  19   4.757   6.619  13.310
  215   1H2*    T  19          1H2*        T  19   4.564   7.261  10.586
  216   2H2*    T  19          2H2*        T  19   3.351   6.641  11.518
  217    H1*    T  19           H1*        T  19   5.301   5.113   9.852
  218    H3     T  19           H3         T  19   2.182   3.877   6.564
  219   1H5M    T  19          1H5M        T  19  -0.604   5.870  10.548
  220   2H5M    T  19          2H5M        T  19  -1.359   4.446   9.829
  221   3H5M    T  19          3H5M        T  19  -0.354   4.350  11.345
  222    H6     T  19           H6         T  19   1.842   5.041  11.244
  223   1H5*    C  20          1H5*      NPC  20   8.045   6.270   9.837
  224   2H5*    C  20          2H5*      NPC  20   9.060   7.672   9.983
  225    H4*    C  20           H4*      NPC  20   9.012   6.874   7.635
  226    H3*    C  20           H3*      NPC  20   8.086   9.615   8.289
  227   1H2*    C  20          1H2*      NPC  20   7.574   9.287   5.492
  228   2H2*    C  20          2H2*      NPC  20   6.405   9.736   6.757
  229    H1*    C  20           H1*      NPC  20   6.878   7.019   5.515
  230    H3     C  20           H3       NPC  20   2.652   7.375   4.304
  231   1H4     C  20          1H4       NPC  20   0.576   7.977   7.074
  232   2H4     C  20          2H4       NPC  20   0.465   7.589   5.439
  233    H5     C  20           H5       NPC  20   2.547   8.092   8.464
  234    H6     C  20           H6       NPC  20   5.049   8.204   8.312
  235   1H5*    C  21          1H5*      NPC  21   9.123   9.742   4.176
  236   2H5*    C  21          2H5*      NPC  21  10.528  10.801   4.010
  237    H4*    C  21           H4*      NPC  21   9.241  11.296   2.170
  238    H3*    C  21           H3*      NPC  21   8.981  13.389   4.209
  239   1H2*    C  21          1H2*      NPC  21   7.217  14.061   1.826
  240   2H2*    C  21          2H2*      NPC  21   6.641  13.771   3.507
  241    H1*    C  21           H1*      NPC  21   6.514  11.859   1.187
  242    H3     C  21           H3       NPC  21   2.222  11.713   2.643
  243   1H4     C  21          1H4       NPC  21   1.993  11.323   6.036
  244   2H4     C  21          2H4       NPC  21   1.037  11.270   4.601
  245    H5     C  21           H5       NPC  21   4.307  11.412   6.198
  246    H6     C  21           H6       NPC  21   6.471  11.704   4.787
  247    H3T    C  21           H3T      NPC  21   9.494  14.673   2.586
   
   
  No H/Q in entry =         247


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