NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
11271 1r7w 6076 cing 1-original 11 MR format nomenclature mapping



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   4.189  17.652 -11.229
    2   2H5*    G   1          2H5*        G   1   5.095  17.422 -12.724
    3    H4*    G   1           H4*        G   1   6.029  16.590  -9.969
    4    H3*    G   1           H3*        G   1   6.770  18.975 -11.679
    5    H2*    G   1           H2*        G   1   9.002  18.845 -10.806
    6   2HO*    G   1          2HO*        G   1   9.499  17.514  -9.078
    7    H1*    G   1           H1*        G   1   9.188  16.132 -11.112
    8    H8     G   1           H8         G   1   7.359  16.583 -14.180
    9    H1     G   1           H1         G   1  12.928  19.709 -14.566
   10   1H2     G   1          1H2         G   1  13.832  19.925 -12.560
   11   2H2     G   1          2H2         G   1  13.061  19.304 -11.117
   12   1H5*    G   2          1H5*        G   2   8.193  20.004  -7.780
   13   2H5*    G   2          2H5*        G   2   7.874  21.725  -7.433
   14    H4*    G   2           H4*        G   2  10.293  20.986  -7.236
   15    H3*    G   2           H3*        G   2   9.562  23.188  -9.183
   16    H2*    G   2           H2*        G   2  11.894  23.481  -9.634
   17   2HO*    G   2          2HO*        G   2  13.447  22.301  -8.421
   18    H1*    G   2           H1*        G   2  12.395  20.808  -9.867
   19    H8     G   2           H8         G   2   9.013  21.012 -11.405
   20    H1     G   2           H1         G   2  13.438  23.770 -15.100
   21   1H2     G   2          1H2         G   2  15.316  24.082 -13.971
   22   2H2     G   2          2H2         G   2  15.485  23.593 -12.299
   23   1H5*    A   3          1H5*        A   3  12.721  24.785  -7.541
   24   2H5*    A   3          2H5*        A   3  12.491  26.491  -7.077
   25    H4*    A   3           H4*        A   3  14.351  25.979  -8.772
   26    H3*    A   3           H3*        A   3  12.155  27.923  -9.506
   27    H2*    A   3           H2*        A   3  13.290  28.369 -11.503
   28   2HO*    A   3          2HO*        A   3  15.504  27.871 -11.775
   29    H1*    A   3           H1*        A   3  14.338  25.694 -11.721
   30    H8     A   3           H8         A   3  10.685  25.321 -11.458
   31   1H6     A   3          1H6         A   3  10.285  27.087 -17.402
   32   2H6     A   3          2H6         A   3   9.421  26.367 -16.059
   33    H2     A   3           H2         A   3  14.414  28.013 -15.925
   34   1H5*    G   4          1H5*        G   4  15.699  30.160 -10.112
   35   2H5*    G   4          2H5*        G   4  15.472  31.741  -9.324
   36    H4*    G   4           H4*        G   4  16.232  32.135 -11.566
   37    H3*    G   4           H3*        G   4  13.231  32.554 -11.459
   38    H2*    G   4           H2*        G   4  13.458  33.470 -13.665
   39   2HO*    G   4          2HO*        G   4  15.562  33.823 -14.537
   40    H1*    G   4           H1*        G   4  15.324  31.498 -14.415
   41    H8     G   4           H8         G   4  12.428  29.926 -12.537
   42    H1     G   4           H1         G   4  11.112  31.253 -18.662
   43   1H2     G   4          1H2         G   4  12.722  32.505 -19.524
   44   2H2     G   4          2H2         G   4  14.112  33.004 -18.593
   45   1H5*    G   5          1H5*        G   5  15.267  36.217 -12.747
   46   2H5*    G   5          2H5*        G   5  14.268  37.632 -12.322
   47    H4*    G   5           H4*        G   5  14.962  37.368 -14.781
   48    H3*    G   5           H3*        G   5  12.011  37.556 -14.130
   49    H2*    G   5           H2*        G   5  11.673  37.767 -16.491
   50   2HO*    G   5          2HO*        G   5  13.511  38.053 -17.879
   51    H1*    G   5           H1*        G   5  13.737  35.914 -17.079
   52    H8     G   5           H8         G   5  11.516  34.346 -14.461
   53    H1     G   5           H1         G   5   8.833  34.293 -20.269
   54   1H2     G   5          1H2         G   5   9.948  35.595 -21.662
   55   2H2     G   5          2H2         G   5  11.376  36.482 -21.166
   56   1H5*    A   6          1H5*        A   6  12.979  40.640 -17.015
   57   2H5*    A   6          2H5*        A   6  12.229  42.138 -16.404
   58    H4*    A   6           H4*        A   6  11.696  41.857 -18.755
   59    H3*    A   6           H3*        A   6   9.324  41.228 -16.976
   60    H2*    A   6           H2*        A   6   8.011  41.116 -18.979
   61   2HO*    A   6          2HO*        A   6  10.375  42.136 -20.237
   62    H1*    A   6           H1*        A   6   9.914  39.665 -20.344
   63    H8     A   6           H8         A   6   9.702  38.518 -16.700
   64   1H6     A   6          1H6         A   6   5.025  34.884 -18.560
   65   2H6     A   6          2H6         A   6   6.102  35.274 -17.236
   66    H2     A   6           H2         A   6   6.152  37.620 -21.943
   67   1H5*    C   7          1H5*        C   7   8.195  44.064 -19.984
   68   2H5*    C   7          2H5*        C   7   6.983  45.189 -19.325
   69    H4*    C   7           H4*        C   7   6.345  43.934 -21.455
   70    H3*    C   7           H3*        C   7   4.580  43.687 -19.000
   71    H2*    C   7           H2*        C   7   3.033  42.481 -20.352
   72   2HO*    C   7          2HO*        C   7   3.395  42.335 -22.637
   73    H1*    C   7           H1*        C   7   4.989  41.047 -21.693
   74   1H4     C   7          1H4         C   7   2.645  37.342 -17.055
   75   2H4     C   7          2H4         C   7   3.908  37.895 -15.978
   76    H5     C   7           H5         C   7   5.465  39.675 -16.563
   77    H6     C   7           H6         C   7   6.129  41.235 -18.313
   78   1H5*    A   8          1H5*        A   8   1.707  44.356 -22.162
   79   2H5*    A   8          2H5*        A   8   0.551  45.510 -21.444
   80    H4*    A   8           H4*        A   8  -0.406  43.277 -22.237
   81    H3*    A   8           H3*        A   8  -0.778  44.154 -19.377
   82    H2*    A   8           H2*        A   8  -2.067  42.212 -18.971
   83   2HO*    A   8          2HO*        A   8  -3.414  42.321 -20.820
   84    H1*    A   8           H1*        A   8  -0.591  40.586 -20.732
   85    H8     A   8           H8         A   8   1.824  42.331 -18.497
   86   1H6     A   8          1H6         A   8   0.712  37.945 -14.301
   87   2H6     A   8          2H6         A   8   1.742  39.293 -14.724
   88    H2     A   8           H2         A   8  -2.308  37.595 -17.578
   89   1H5*    U   9          1H5*        U   9  -4.362  45.123 -17.520
   90   2H5*    U   9          2H5*        U   9  -4.028  46.871 -17.576
   91    H4*    U   9           H4*        U   9  -2.951  46.581 -15.651
   92    H3*    U   9           H3*        U   9  -0.803  46.216 -17.319
   93    H2*    U   9           H2*        U   9  -1.837  43.949 -17.780
   94   2HO*    U   9          2HO*        U   9   0.519  43.599 -16.231
   95    H1*    U   9           H1*        U   9  -1.303  43.631 -14.889
   96    H3     U   9           H3         U   9  -1.943  39.190 -14.909
   97    H5     U   9           H5         U   9  -4.982  40.632 -17.403
   98    H6     U   9           H6         U   9  -4.062  42.822 -17.154
   99   1H5*    C  10          1H5*        C  10  -4.089  46.472 -13.209
  100   2H5*    C  10          2H5*        C  10  -2.942  46.638 -11.863
  101    H4*    C  10           H4*        C  10  -4.309  45.090 -10.919
  102    H3*    C  10           H3*        C  10  -2.049  43.764 -11.848
  103    H2*    C  10           H2*        C  10  -3.159  43.072 -13.865
  104   2HO*    C  10          2HO*        C  10  -2.357  41.188 -12.828
  105    H1*    C  10           H1*        C  10  -5.511  42.429 -12.105
  106   1H4     C  10          1H4         C  10  -8.379  40.850 -17.554
  107   2H4     C  10          2H4         C  10  -7.854  42.335 -18.313
  108    H5     C  10           H5         C  10  -6.407  43.962 -17.186
  109    H6     C  10           H6         C  10  -5.192  44.445 -15.140
  110   1H5*    C  11          1H5*        C  11  -5.475  44.407  -9.412
  111   2H5*    C  11          2H5*        C  11  -6.064  44.188  -7.744
  112    H4*    C  11           H4*        C  11  -7.229  42.939  -9.755
  113    H3*    C  11           H3*        C  11  -7.489  42.427  -7.144
  114    H2*    C  11           H2*        C  11  -5.376  41.290  -6.955
  115   2HO*    C  11          2HO*        C  11  -5.867  39.150  -6.531
  116    H1*    C  11           H1*        C  11  -6.110  39.590  -9.353
  117   1H4     C  11          1H4         C  11   0.349  38.893  -8.185
  118   2H4     C  11          2H4         C  11   0.355  39.048  -9.926
  119    H5     C  11           H5         C  11  -1.648  39.652 -11.220
  120    H6     C  11           H6         C  11  -3.999  40.201 -11.053
  121   1H5*    C  12          1H5*        C  12 -11.921  40.836  -9.575
  122   2H5*    C  12          2H5*        C  12 -12.801  41.422  -8.134
  123    H4*    C  12           H4*        C  12 -12.848  39.047  -8.118
  124    H3*    C  12           H3*        C  12 -11.789  40.340  -5.878
  125    H2*    C  12           H2*        C  12  -9.584  39.916  -6.656
  126   2HO*    C  12          2HO*        C  12  -8.904  37.884  -5.424
  127    H1*    C  12           H1*        C  12 -10.683  37.154  -7.298
  128   1H4     C  12          1H4         C  12  -4.529  36.176  -9.040
  129   2H4     C  12          2H4         C  12  -4.900  36.994 -10.540
  130    H5     C  12           H5         C  12  -7.043  38.131 -10.945
  131    H6     C  12           H6         C  12  -9.197  38.673  -9.968
  132   1H5*    U  13          1H5*        U  13 -16.376  38.342  -6.163
  133   2H5*    U  13          2H5*        U  13 -15.969  36.659  -6.582
  134    H4*    U  13           H4*        U  13 -14.286  39.080  -7.171
  135    H3*    U  13           H3*        U  13 -16.483  38.468  -8.679
  136    H2*    U  13           H2*        U  13 -15.800  36.252  -9.181
  137   2HO*    U  13          2HO*        U  13 -16.039  37.426 -11.162
  138    H1*    U  13           H1*        U  13 -12.941  37.222  -9.599
  139    H3     U  13           H3         U  13 -11.526  33.062 -10.491
  140    H5     U  13           H5         U  13 -14.294  32.503  -7.377
  141    H6     U  13           H6         U  13 -14.735  34.875  -7.432
  142   1H5*    C  14          1H5*        C  14 -15.975  40.344 -13.473
  143   2H5*    C  14          2H5*        C  14 -15.457  38.762 -12.837
  144    H4*    C  14           H4*        C  14 -13.715  40.794 -14.267
  145    H3*    C  14           H3*        C  14 -14.825  38.106 -15.104
  146    H2*    C  14           H2*        C  14 -12.844  37.747 -16.422
  147   2HO*    C  14          2HO*        C  14 -12.038  40.369 -15.598
  148    H1*    C  14           H1*        C  14 -11.152  38.421 -14.411
  149   1H4     C  14          1H4         C  14 -12.628  32.229 -13.562
  150   2H4     C  14          2H4         C  14 -13.868  32.698 -12.425
  151    H5     C  14           H5         C  14 -14.489  35.043 -12.009
  152    H6     C  14           H6         C  14 -14.010  37.323 -12.623
  153   1H5*    A  15          1H5*        A  15 -13.662  39.339 -18.926
  154   2H5*    A  15          2H5*        A  15 -15.054  39.037 -20.003
  155    H4*    A  15           H4*        A  15 -12.976  37.871 -20.725
  156    H3*    A  15           H3*        A  15 -15.218  36.051 -19.804
  157    H2*    A  15           H2*        A  15 -13.902  34.228 -20.682
  158   2HO*    A  15          2HO*        A  15 -11.907  34.718 -21.749
  159    H1*    A  15           H1*        A  15 -11.599  35.190 -19.484
  160    H8     A  15           H8         A  15 -14.227  36.007 -16.997
  161   1H6     A  15          1H6         A  15 -14.303  30.040 -15.350
  162   2H6     A  15          2H6         A  15 -14.841  31.651 -14.930
  163    H2     A  15           H2         A  15 -11.915  30.438 -19.128
  164   1H5*    C  16          1H5*        C  16 -14.505  34.687 -23.654
  165   2H5*    C  16          2H5*        C  16 -16.039  34.512 -24.550
  166    H4*    C  16           H4*        C  16 -14.653  32.448 -24.569
  167    H3*    C  16           H3*        C  16 -17.275  32.263 -23.067
  168    H2*    C  16           H2*        C  16 -16.871  29.910 -22.849
  169   2HO*    C  16          2HO*        C  16 -15.061  28.969 -23.933
  170    H1*    C  16           H1*        C  16 -14.189  30.266 -22.214
  171   1H4     C  16          1H4         C  16 -17.015  29.963 -16.526
  172   2H4     C  16          2H4         C  16 -17.843  31.482 -16.792
  173    H5     C  16           H5         C  16 -17.673  32.738 -18.891
  174    H6     C  16           H6         C  16 -16.672  32.761 -21.098
  175   1H5*    G  17          1H5*        G  17 -17.615  29.221 -26.350
  176   2H5*    G  17          2H5*        G  17 -19.358  28.997 -26.648
  177    H4*    G  17           H4*        G  17 -17.947  26.955 -25.901
  178    H3*    G  17           H3*        G  17 -20.488  27.723 -24.444
  179    H2*    G  17           H2*        G  17 -20.252  25.693 -23.189
  180   2HO*    G  17          2HO*        G  17 -18.592  24.196 -23.760
  181    H1*    G  17           H1*        G  17 -17.529  26.037 -22.824
  182    H8     G  17           H8         G  17 -19.229  29.418 -22.499
  183    H1     G  17           H1         G  17 -19.799  25.772 -17.287
  184   1H2     G  17          1H2         G  17 -19.146  23.701 -17.719
  185   2H2     G  17          2H2         G  17 -18.550  23.226 -19.291
  186   1H5*    G  18          1H5*        G  18 -20.958  23.574 -25.399
  187   2H5*    G  18          2H5*        G  18 -22.569  23.391 -26.142
  188    H4*    G  18           H4*        G  18 -22.267  21.749 -24.365
  189    H3*    G  18           H3*        G  18 -24.164  23.981 -23.594
  190    H2*    G  18           H2*        G  18 -24.651  22.745 -21.612
  191   2HO*    G  18          2HO*        G  18 -23.865  20.612 -21.356
  192    H1*    G  18           H1*        G  18 -22.002  22.047 -21.168
  193    H8     G  18           H8         G  18 -22.282  25.653 -22.380
  194    H1     G  18           H1         G  18 -23.457  24.962 -16.126
  195   1H2     G  18          1H2         G  18 -23.632  22.823 -15.604
  196   2H2     G  18          2H2         G  18 -23.442  21.554 -16.796
  197   1H5*    G  19          1H5*        G  19 -26.354  20.551 -22.788
  198   2H5*    G  19          2H5*        G  19 -28.075  20.797 -23.192
  199    H4*    G  19           H4*        G  19 -27.568  20.206 -20.767
  200    H3*    G  19           H3*        G  19 -28.948  22.847 -21.331
  201    H2*    G  19           H2*        G  19 -29.256  23.054 -18.972
  202   2HO*    G  19          2HO*        G  19 -28.935  21.302 -17.596
  203    H1*    G  19           H1*        G  19 -26.708  21.995 -18.395
  204    H8     G  19           H8         G  19 -26.333  24.521 -21.183
  205    H1     G  19           H1         G  19 -27.041  27.252 -15.446
  206   1H2     G  19          1H2         G  19 -27.665  25.753 -13.955
  207   2H2     G  19          2H2         G  19 -27.900  24.069 -14.364
  208   1H5*    U  20          1H5*        U  20 -31.772  23.963 -20.839
  209   2H5*    U  20          2H5*        U  20 -31.593  22.733 -19.562
  210    H4*    U  20           H4*        U  20 -34.204  23.807 -20.668
  211    H3*    U  20           H3*        U  20 -32.772  24.293 -18.051
  212    H2*    U  20           H2*        U  20 -34.884  24.417 -16.945
  213   2HO*    U  20          2HO*        U  20 -35.937  25.745 -18.531
  214    H1*    U  20           H1*        U  20 -36.081  22.397 -18.515
  215    H3     U  20           H3         U  20 -35.364  21.640 -13.836
  216    H5     U  20           H5         U  20 -32.682  19.319 -16.111
  217    H6     U  20           H6         U  20 -33.314  20.621 -18.063
  218   1H5*    G  21          1H5*        G  21 -32.398  27.841 -15.781
  219   2H5*    G  21          2H5*        G  21 -31.520  26.456 -16.491
  220    H4*    G  21           H4*        G  21 -33.338  26.432 -14.062
  221    H3*    G  21           H3*        G  21 -30.366  25.984 -14.415
  222    H2*    G  21           H2*        G  21 -30.422  24.453 -12.595
  223   2HO*    G  21          2HO*        G  21 -31.655  25.584 -11.095
  224    H1*    G  21           H1*        G  21 -32.967  23.434 -13.235
  225    H8     G  21           H8         G  21 -30.679  23.649 -16.266
  226    H1     G  21           H1         G  21 -29.884  18.337 -12.796
  227   1H2     G  21          1H2         G  21 -31.009  18.485 -10.898
  228   2H2     G  21          2H2         G  21 -31.950  19.897 -10.481
  229   1H5*    A  22          1H5*        A  22 -31.044  27.541 -10.213
  230   2H5*    A  22          2H5*        A  22 -29.555  28.349  -9.643
  231    H4*    A  22           H4*        A  22 -30.286  26.518  -8.131
  232    H3*    A  22           H3*        A  22 -27.695  26.056  -9.630
  233    H2*    A  22           H2*        A  22 -27.401  24.047  -8.312
  234   2HO*    A  22          2HO*        A  22 -28.290  24.937  -6.328
  235    H1*    A  22           H1*        A  22 -29.971  23.223  -8.713
  236    H8     A  22           H8         A  22 -28.375  25.095 -11.693
  237   1H6     A  22          1H6         A  22 -26.610  19.524 -13.686
  238   2H6     A  22          2H6         A  22 -26.676  21.229 -14.065
  239    H2     A  22           H2         A  22 -28.477  19.050  -9.645
  240   1H5*    C  23          1H5*        C  23 -23.643  25.092  -7.068
  241   2H5*    C  23          2H5*        C  23 -23.865  26.133  -8.499
  242    H4*    C  23           H4*        C  23 -24.665  23.222  -8.225
  243    H3*    C  23           H3*        C  23 -22.504  24.610  -9.815
  244    H2*    C  23           H2*        C  23 -22.759  22.980 -11.546
  245   2HO*    C  23          2HO*        C  23 -24.104  21.167 -11.235
  246    H1*    C  23           H1*        C  23 -25.483  23.060 -11.539
  247   1H4     C  23          1H4         C  23 -23.668  27.511 -15.745
  248   2H4     C  23          2H4         C  23 -23.661  28.710 -14.472
  249    H5     C  23           H5         C  23 -24.022  28.145 -12.108
  250    H6     C  23           H6         C  23 -24.455  26.348 -10.565
  251   1H5*    C  24          1H5*        C  24 -21.492  20.642 -10.158
  252   2H5*    C  24          2H5*        C  24 -19.766  20.380  -9.792
  253    H4*    C  24           H4*        C  24 -20.367  19.442 -11.980
  254    H3*    C  24           H3*        C  24 -18.610  21.905 -12.116
  255    H2*    C  24           H2*        C  24 -18.417  21.524 -14.475
  256   2HO*    C  24          2HO*        C  24 -19.359  19.626 -15.393
  257    H1*    C  24           H1*        C  24 -21.111  21.018 -14.789
  258   1H4     C  24          1H4         C  24 -20.257  27.269 -15.851
  259   2H4     C  24          2H4         C  24 -20.671  27.590 -14.184
  260    H5     C  24           H5         C  24 -21.031  25.811 -12.526
  261    H6     C  24           H6         C  24 -21.033  23.426 -12.188
  262   1H5*    G  25          1H5*        G  25 -16.575  19.238 -14.484
  263   2H5*    G  25          2H5*        G  25 -14.887  19.103 -13.924
  264    H4*    G  25           H4*        G  25 -14.986  19.516 -16.339
  265    H3*    G  25           H3*        G  25 -13.984  21.881 -14.735
  266    H2*    G  25           H2*        G  25 -13.476  22.954 -16.815
  267   2HO*    G  25          2HO*        G  25 -13.676  21.781 -18.782
  268    H1*    G  25           H1*        G  25 -15.845  22.146 -18.013
  269    H8     G  25           H8         G  25 -16.230  23.186 -14.334
  270    H1     G  25           H1         G  25 -16.584  28.031 -18.500
  271   1H2     G  25          1H2         G  25 -16.027  27.343 -20.523
  272   2H2     G  25          2H2         G  25 -15.586  25.682 -20.855
  273   1H5*    U  26          1H5*        U  26 -11.135  21.049 -17.769
  274   2H5*    U  26          2H5*        U  26  -9.487  21.134 -17.093
  275    H4*    U  26           H4*        U  26  -9.665  22.494 -19.120
  276    H3*    U  26           H3*        U  26  -9.487  24.163 -16.599
  277    H2*    U  26           H2*        U  26  -9.229  26.067 -18.038
  278   2HO*    U  26          2HO*        U  26  -9.044  25.751 -20.311
  279    H1*    U  26           H1*        U  26 -11.250  25.234 -19.750
  280    H3     U  26           H3         U  26 -13.279  28.694 -17.659
  281    H5     U  26           H5         U  26 -12.845  25.810 -14.605
  282    H6     U  26           H6         U  26 -11.606  24.442 -16.163
  283   1H5*    G  27          1H5*        G  27  -6.365  25.253 -19.182
  284   2H5*    G  27          2H5*        G  27  -4.888  25.773 -18.328
  285    H4*    G  27           H4*        G  27  -6.068  27.378 -20.012
  286    H3*    G  27           H3*        G  27  -4.464  27.927 -17.720
  287    H2*    G  27           H2*        G  27  -6.068  29.012 -16.458
  288   2HO*    G  27          2HO*        G  27  -4.877  30.808 -17.259
  289    H1*    G  27           H1*        G  27  -7.751  29.790 -18.838
  290    H8     G  27           H8         G  27  -8.705  27.124 -16.279
  291    H1     G  27           H1         G  27 -11.338  32.839 -15.145
  292   1H2     G  27          1H2         G  27 -10.450  34.375 -16.470
  293   2H2     G  27          2H2         G  27  -9.214  33.985 -17.645
  294   1H5*    G  28          1H5*        G  28  -5.170  32.071 -19.500
  295   2H5*    G  28          2H5*        G  28  -5.205  30.951 -20.887
  296    H4*    G  28           H4*        G  28  -5.343  32.913 -22.032
  297    H3*    G  28           H3*        G  28  -2.385  32.533 -21.559
  298    H2*    G  28           H2*        G  28  -1.898  34.675 -22.488
  299   2HO*    G  28          2HO*        G  28  -3.553  35.902 -23.477
  300    H1*    G  28           H1*        G  28  -3.818  36.005 -21.123
  301    H8     G  28           H8         G  28  -3.068  33.457 -18.548
  302    H1     G  28           H1         G  28   1.818  37.511 -19.328
  303   1H2     G  28          1H2         G  28   1.553  38.682 -21.187
  304   2H2     G  28          2H2         G  28   0.172  38.463 -22.235
  305   1H5*    U  29          1H5*        U  29  -1.869  34.185 -25.109
  306   2H5*    U  29          2H5*        U  29  -1.311  32.918 -26.236
  307    H4*    U  29           H4*        U  29   0.158  34.792 -26.485
  308    H3*    U  29           H3*        U  29   1.450  32.673 -24.745
  309    H2*    U  29           H2*        U  29   3.451  33.976 -24.820
  310   2HO*    U  29          2HO*        U  29   3.567  35.820 -26.175
  311    H1*    U  29           H1*        U  29   2.127  36.361 -24.402
  312    H3     U  29           H3         U  29   4.420  35.461 -20.573
  313    H5     U  29           H5         U  29   0.962  33.076 -20.318
  314    H6     U  29           H6         U  29   0.435  33.709 -22.596
  315   1H5*    C  30          1H5*        C  30   4.148  33.519 -28.166
  316   2H5*    C  30          2H5*        C  30   5.111  32.050 -28.480
  317    H4*    C  30           H4*        C  30   6.415  34.190 -28.003
  318    H3*    C  30           H3*        C  30   6.857  31.796 -26.199
  319    H2*    C  30           H2*        C  30   8.683  33.023 -25.237
  320   2HO*    C  30          2HO*        C  30   9.364  34.993 -26.177
  321    H1*    C  30           H1*        C  30   7.240  35.422 -25.193
  322   1H4     C  30          1H4         C  30   6.696  32.857 -19.359
  323   2H4     C  30          2H4         C  30   5.315  31.926 -19.891
  324    H5     C  30           H5         C  30   4.567  31.867 -22.227
  325    H6     C  30           H6         C  30   5.009  32.693 -24.453
  326   1H5*    C  31          1H5*        C  31  10.690  32.789 -27.851
  327   2H5*    C  31          2H5*        C  31  11.725  31.335 -27.913
  328    H4*    C  31           H4*        C  31  12.527  33.322 -26.484
  329    H3*    C  31           H3*        C  31  12.249  30.581 -25.227
  330    H2*    C  31           H2*        C  31  13.314  31.498 -23.291
  331   2HO*    C  31          2HO*        C  31  14.295  33.549 -23.370
  332    H1*    C  31           H1*        C  31  11.926  33.941 -23.500
  333   1H4     C  31          1H4         C  31   9.039  30.406 -19.004
  334   2H4     C  31          2H4         C  31   7.943  29.788 -20.219
  335    H5     C  31           H5         C  31   8.191  30.270 -22.615
  336    H6     C  31           H6         C  31   9.544  31.419 -24.262
  337   1H5*    U  32          1H5*        U  32  16.188  31.523 -24.287
  338   2H5*    U  32          2H5*        U  32  17.225  30.161 -24.793
  339    H4*    U  32           H4*        U  32  17.682  30.753 -22.472
  340    H3*    U  32           H3*        U  32  16.128  28.163 -22.715
  341    H2*    U  32           H2*        U  32  16.469  27.875 -20.366
  342   2HO*    U  32          2HO*        U  32  17.872  29.319 -19.234
  343    H1*    U  32           H1*        U  32  16.018  30.579 -19.801
  344    H3     U  32           H3         U  32  12.612  28.176 -17.918
  345    H5     U  32           H5         U  32  11.560  28.563 -21.980
  346    H6     U  32           H6         U  32  13.747  29.504 -22.387
  347   1H5*    C  33          1H5*        C  33  20.137  27.385 -20.747
  348   2H5*    C  33          2H5*        C  33  20.504  25.647 -20.933
  349    H4*    C  33           H4*        C  33  20.384  26.704 -18.540
  350    H3*    C  33           H3*        C  33  18.901  24.156 -19.233
  351    H2*    C  33           H2*        C  33  18.331  24.000 -16.925
  352   2HO*    C  33          2HO*        C  33  19.393  25.317 -15.376
  353    H1*    C  33           H1*        C  33  18.050  26.791 -16.621
  354   1H4     C  33          1H4         C  33  12.283  24.013 -16.671
  355   2H4     C  33          2H4         C  33  12.158  24.373 -18.374
  356    H5     C  33           H5         C  33  13.977  25.291 -19.670
  357    H6     C  33           H6         C  33  16.302  26.039 -19.597
  358   1H5*    C  34          1H5*        C  34  21.224  23.267 -15.783
  359   2H5*    C  34          2H5*        C  34  21.667  21.539 -15.781
  360    H4*    C  34           H4*        C  34  20.186  22.507 -13.854
  361    H3*    C  34           H3*        C  34  19.494  19.962 -15.342
  362    H2*    C  34           H2*        C  34  17.634  19.678 -13.879
  363   2HO*    C  34          2HO*        C  34  18.949  20.298 -11.962
  364    H1*    C  34           H1*        C  34  17.072  22.436 -13.707
  365   1H4     C  34          1H4         C  34  12.781  19.710 -17.614
  366   2H4     C  34          2H4         C  34  13.771  20.172 -18.982
  367    H5     C  34           H5         C  34  16.018  21.163 -18.729
  368    H6     C  34           H6         C  34  17.662  21.892 -17.134
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   7.727  14.967 -18.726
    2   2H5*    G   1          2H5*        G   1   8.953  15.655 -19.791
    3    H4*    G   1           H4*        G   1   9.504  13.847 -17.427
    4    H3*    G   1           H3*        G   1   9.766  16.847 -17.729
    5    H2*    G   1           H2*        G   1  11.661  16.775 -16.268
    6   2HO*    G   1          2HO*        G   1  12.186  14.862 -15.151
    7    H1*    G   1           H1*        G   1  12.739  14.511 -17.424
    8    H8     G   1           H8         G   1  11.858  16.012 -20.566
    9    H1     G   1           H1         G   1  16.087  19.755 -17.568
   10   1H2     G   1          1H2         G   1  16.252  19.191 -15.440
   11   2H2     G   1          2H2         G   1  15.308  17.892 -14.744
   12   1H5*    G   2          1H5*        G   2  10.073  16.057 -13.593
   13   2H5*    G   2          2H5*        G   2   9.152  17.249 -12.635
   14    H4*    G   2           H4*        G   2  11.633  16.956 -12.062
   15    H3*    G   2           H3*        G   2  10.489  19.671 -12.752
   16    H2*    G   2           H2*        G   2  12.615  20.656 -12.337
   17   2HO*    G   2          2HO*        G   2  14.299  19.425 -11.390
   18    H1*    G   2           H1*        G   2  14.058  18.672 -13.587
   19    H8     G   2           H8         G   2  11.129  19.081 -15.862
   20    H1     G   2           H1         G   2  15.100  24.078 -16.206
   21   1H2     G   2          1H2         G   2  16.537  24.054 -14.534
   22   2H2     G   2          2H2         G   2  16.540  22.788 -13.323
   23   1H5*    A   3          1H5*        A   3  12.555  20.770  -9.442
   24   2H5*    A   3          2H5*        A   3  11.586  21.901  -8.458
   25    H4*    A   3           H4*        A   3  13.790  22.786  -9.452
   26    H3*    A   3           H3*        A   3  11.177  24.199 -10.026
   27    H2*    A   3           H2*        A   3  12.359  25.853 -11.170
   28   2HO*    A   3          2HO*        A   3  14.683  24.800  -9.857
   29    H1*    A   3           H1*        A   3  14.321  24.047 -12.195
   30    H8     A   3           H8         A   3  10.849  22.792 -12.923
   31   1H6     A   3          1H6         A   3  10.974  26.645 -17.808
   32   2H6     A   3          2H6         A   3  10.099  25.329 -17.051
   33    H2     A   3           H2         A   3  14.478  27.552 -15.165
   34   1H5*    G   4          1H5*        G   4  13.735  27.476  -7.989
   35   2H5*    G   4          2H5*        G   4  12.463  28.551  -7.351
   36    H4*    G   4           H4*        G   4  14.182  29.558  -8.983
   37    H3*    G   4           H3*        G   4  11.235  29.789  -9.656
   38    H2*    G   4           H2*        G   4  11.926  31.315 -11.374
   39   2HO*    G   4          2HO*        G   4  14.066  32.080 -11.449
   40    H1*    G   4           H1*        G   4  14.177  29.743 -12.026
   41    H8     G   4           H8         G   4  11.293  27.379 -11.705
   42    H1     G   4           H1         G   4  11.017  30.852 -17.074
   43   1H2     G   4          1H2         G   4  12.467  32.525 -16.979
   44   2H2     G   4          2H2         G   4  13.506  32.772 -15.596
   45   1H5*    G   5          1H5*        G   5  13.062  33.822  -9.278
   46   2H5*    G   5          2H5*        G   5  11.774  34.977  -8.847
   47    H4*    G   5           H4*        G   5  13.198  35.404 -10.988
   48    H3*    G   5           H3*        G   5  10.171  35.421 -11.127
   49    H2*    G   5           H2*        G   5  10.428  36.243 -13.359
   50   2HO*    G   5          2HO*        G   5  12.443  36.983 -14.100
   51    H1*    G   5           H1*        G   5  12.678  34.600 -13.852
   52    H8     G   5           H8         G   5  10.221  32.209 -12.437
   53    H1     G   5           H1         G   5   8.439  34.123 -18.272
   54   1H2     G   5          1H2         G   5   9.610  35.878 -18.923
   55   2H2     G   5          2H2         G   5  10.843  36.603 -17.911
   56   1H5*    A   6          1H5*        A   6  11.467  39.249 -12.774
   57   2H5*    A   6          2H5*        A   6  10.484  40.466 -11.919
   58    H4*    A   6           H4*        A   6  10.429  40.900 -14.308
   59    H3*    A   6           H3*        A   6   7.831  39.707 -13.299
   60    H2*    A   6           H2*        A   6   6.915  40.098 -15.471
   61   2HO*    A   6          2HO*        A   6   8.136  41.304 -17.019
   62    H1*    A   6           H1*        A   6   9.230  39.307 -16.800
   63    H8     A   6           H8         A   6   8.505  36.925 -13.921
   64   1H6     A   6          1H6         A   6   4.660  33.989 -17.793
   65   2H6     A   6          2H6         A   6   5.461  33.927 -16.240
   66    H2     A   6           H2         A   6   5.956  37.839 -19.721
   67   1H5*    C   7          1H5*        C   7   7.039  43.592 -15.376
   68   2H5*    C   7          2H5*        C   7   5.552  44.281 -14.673
   69    H4*    C   7           H4*        C   7   5.593  43.904 -17.211
   70    H3*    C   7           H3*        C   7   3.377  42.745 -15.498
   71    H2*    C   7           H2*        C   7   2.352  41.880 -17.442
   72   2HO*    C   7          2HO*        C   7   2.974  42.600 -19.517
   73    H1*    C   7           H1*        C   7   4.738  41.269 -18.769
   74   1H4     C   7          1H4         C   7   2.501  35.743 -16.460
   75   2H4     C   7          2H4         C   7   3.167  36.109 -14.886
   76    H5     C   7           H5         C   7   4.223  38.243 -14.359
   77    H6     C   7           H6         C   7   4.855  40.402 -15.245
   78   1H5*    A   8          1H5*        A   8   1.457  45.147 -18.964
   79   2H5*    A   8          2H5*        A   8  -0.160  45.561 -18.329
   80    H4*    A   8           H4*        A   8   0.058  44.118 -20.504
   81    H3*    A   8           H3*        A   8  -1.788  43.411 -18.225
   82    H2*    A   8           H2*        A   8  -2.579  41.566 -19.528
   83   2HO*    A   8          2HO*        A   8  -1.875  41.301 -21.692
   84    H1*    A   8           H1*        A   8  -0.094  40.749 -20.290
   85    H8     A   8           H8         A   8   0.257  42.097 -16.818
   86   1H6     A   8          1H6         A   8  -1.657  36.564 -14.801
   87   2H6     A   8          2H6         A   8  -0.948  38.091 -14.329
   88    H2     A   8           H2         A   8  -2.345  36.783 -19.228
   89   1H5*    U   9          1H5*        U   9  -3.965  43.701 -22.031
   90   2H5*    U   9          2H5*        U   9  -5.740  43.653 -21.857
   91    H4*    U   9           H4*        U   9  -4.156  41.604 -22.828
   92    H3*    U   9           H3*        U   9  -6.964  41.833 -22.004
   93    H2*    U   9           H2*        U   9  -6.882  39.967 -20.596
   94   2HO*    U   9          2HO*        U   9  -7.528  38.861 -22.524
   95    H1*    U   9           H1*        U   9  -4.211  39.106 -21.649
   96    H3     U   9           H3         U   9  -5.237  36.277 -18.023
   97    H5     U   9           H5         U   9  -3.712  39.902 -16.525
   98    H6     U   9           H6         U   9  -3.948  40.828 -18.717
   99   1H5*    C  10          1H5*        C  10 -10.649  39.918 -24.422
  100   2H5*    C  10          2H5*        C  10 -10.177  41.626 -24.533
  101    H4*    C  10           H4*        C  10 -11.760  41.433 -22.750
  102    H3*    C  10           H3*        C  10  -9.399  42.650 -22.238
  103    H2*    C  10           H2*        C  10  -8.307  40.626 -21.584
  104   2HO*    C  10          2HO*        C  10  -8.203  42.297 -19.869
  105    H1*    C  10           H1*        C  10 -10.651  39.991 -19.849
  106   1H4     C  10          1H4         C  10  -7.776  34.111 -20.839
  107   2H4     C  10          2H4         C  10  -7.026  34.641 -19.352
  108    H5     C  10           H5         C  10  -7.355  36.891 -18.426
  109    H6     C  10           H6         C  10  -8.445  39.020 -18.762
  110   1H5*    C  11          1H5*        C  11 -10.807  45.331 -17.625
  111   2H5*    C  11          2H5*        C  11  -9.058  44.981 -17.651
  112    H4*    C  11           H4*        C  11 -10.023  44.781 -15.395
  113    H3*    C  11           H3*        C  11  -8.563  42.582 -16.669
  114    H2*    C  11           H2*        C  11  -9.644  40.780 -15.738
  115   2HO*    C  11          2HO*        C  11 -10.037  42.369 -13.421
  116    H1*    C  11           H1*        C  11 -12.073  41.810 -14.835
  117   1H4     C  11          1H4         C  11 -13.780  39.926 -20.893
  118   2H4     C  11          2H4         C  11 -13.027  38.439 -20.364
  119    H5     C  11           H5         C  11 -11.761  38.261 -18.278
  120    H6     C  11           H6         C  11 -11.008  39.440 -16.321
  121   1H5*    C  12          1H5*        C  12  -6.074  40.404 -15.516
  122   2H5*    C  12          2H5*        C  12  -7.474  41.208 -14.774
  123    H4*    C  12           H4*        C  12  -6.201  41.817 -12.853
  124    H3*    C  12           H3*        C  12  -3.880  41.902 -14.305
  125    H2*    C  12           H2*        C  12  -3.844  39.524 -14.667
  126   2HO*    C  12          2HO*        C  12  -2.334  38.713 -12.940
  127    H1*    C  12           H1*        C  12  -4.492  39.235 -11.727
  128   1H4     C  12          1H4         C  12  -4.404  33.109 -13.706
  129   2H4     C  12          2H4         C  12  -6.026  33.336 -14.321
  130    H5     C  12           H5         C  12  -7.131  35.520 -14.374
  131    H6     C  12           H6         C  12  -6.900  37.865 -13.842
  132   1H5*    U  13          1H5*        U  13  -6.251  43.682  -9.542
  133   2H5*    U  13          2H5*        U  13  -5.192  42.281  -9.847
  134    H4*    U  13           H4*        U  13  -7.598  42.485 -11.572
  135    H3*    U  13           H3*        U  13  -8.115  42.698  -8.738
  136    H2*    U  13           H2*        U  13  -7.491  40.391  -8.438
  137   2HO*    U  13          2HO*        U  13  -9.865  40.671  -8.082
  138    H1*    U  13           H1*        U  13  -8.650  40.115 -11.227
  139    H3     U  13           H3         U  13  -8.174  35.764 -12.082
  140    H5     U  13           H5         U  13  -5.660  36.278  -8.771
  141    H6     U  13           H6         U  13  -6.175  38.653  -8.816
  142   1H5*    C  14          1H5*        C  14 -13.841  43.359 -11.063
  143   2H5*    C  14          2H5*        C  14 -13.253  42.056  -9.998
  144    H4*    C  14           H4*        C  14 -12.393  42.409 -12.883
  145    H3*    C  14           H3*        C  14 -14.664  40.751 -11.762
  146    H2*    C  14           H2*        C  14 -13.974  38.850 -12.911
  147   2HO*    C  14          2HO*        C  14 -14.117  39.665 -14.985
  148    H1*    C  14           H1*        C  14 -11.238  39.752 -13.407
  149   1H4     C  14          1H4         C  14 -11.255  34.201 -10.006
  150   2H4     C  14          2H4         C  14 -10.309  35.121  -8.863
  151    H5     C  14           H5         C  14  -9.972  37.597  -9.067
  152    H6     C  14           H6         C  14 -10.546  39.499 -10.386
  153   1H5*    A  15          1H5*        A  15 -15.787  40.924 -16.485
  154   2H5*    A  15          2H5*        A  15 -17.184  39.812 -16.511
  155    H4*    A  15           H4*        A  15 -14.460  39.281 -17.213
  156    H3*    A  15           H3*        A  15 -16.807  37.385 -16.931
  157    H2*    A  15           H2*        A  15 -15.220  35.652 -17.455
  158   2HO*    A  15          2HO*        A  15 -13.182  36.170 -18.335
  159    H1*    A  15           H1*        A  15 -13.121  37.034 -16.036
  160    H8     A  15           H8         A  15 -16.090  36.788 -13.821
  161   1H6     A  15          1H6         A  15 -14.277  31.029 -12.443
  162   2H6     A  15          2H6         A  15 -15.369  32.329 -12.015
  163    H2     A  15           H2         A  15 -11.855  32.512 -15.917
  164   1H5*    C  16          1H5*        C  16 -15.845  36.639 -21.619
  165   2H5*    C  16          2H5*        C  16 -17.560  36.572 -22.105
  166    H4*    C  16           H4*        C  16 -16.362  34.630 -22.966
  167    H3*    C  16           H3*        C  16 -18.201  33.936 -20.657
  168    H2*    C  16           H2*        C  16 -17.687  31.645 -21.050
  169   2HO*    C  16          2HO*        C  16 -16.458  32.565 -23.470
  170    H1*    C  16           H1*        C  16 -14.988  32.153 -21.621
  171   1H4     C  16          1H4         C  16 -15.509  30.077 -15.577
  172   2H4     C  16          2H4         C  16 -15.161  31.715 -15.079
  173    H5     C  16           H5         C  16 -15.013  33.574 -16.651
  174    H6     C  16           H6         C  16 -15.250  34.226 -18.976
  175   1H5*    G  17          1H5*        G  17 -18.983  31.431 -24.094
  176   2H5*    G  17          2H5*        G  17 -20.654  30.813 -24.095
  177    H4*    G  17           H4*        G  17 -18.617  29.151 -24.005
  178    H3*    G  17           H3*        G  17 -21.072  28.934 -22.253
  179    H2*    G  17           H2*        G  17 -20.170  26.921 -21.308
  180   2HO*    G  17          2HO*        G  17 -18.181  26.078 -22.155
  181    H1*    G  17           H1*        G  17 -17.667  27.951 -20.950
  182    H8     G  17           H8         G  17 -19.500  31.012 -20.175
  183    H1     G  17           H1         G  17 -20.672  26.556 -15.745
  184   1H2     G  17          1H2         G  17 -20.003  24.567 -16.450
  185   2H2     G  17          2H2         G  17 -19.267  24.337 -18.020
  186   1H5*    G  18          1H5*        G  18 -20.366  25.033 -23.507
  187   2H5*    G  18          2H5*        G  18 -21.800  24.473 -24.408
  188    H4*    G  18           H4*        G  18 -21.043  22.794 -22.779
  189    H3*    G  18           H3*        G  18 -23.682  24.131 -22.166
  190    H2*    G  18           H2*        G  18 -23.943  22.736 -20.264
  191   2HO*    G  18          2HO*        G  18 -22.491  20.961 -19.931
  192    H1*    G  18           H1*        G  18 -21.279  22.856 -19.493
  193    H8     G  18           H8         G  18 -22.202  26.337 -20.521
  194    H1     G  18           H1         G  18 -24.609  24.744 -14.813
  195   1H2     G  18          1H2         G  18 -24.404  22.572 -14.474
  196   2H2     G  18          2H2         G  18 -23.673  21.509 -15.657
  197   1H5*    G  19          1H5*        G  19 -27.741  22.471 -23.327
  198   2H5*    G  19          2H5*        G  19 -27.699  24.141 -22.699
  199    H4*    G  19           H4*        G  19 -27.512  21.531 -21.184
  200    H3*    G  19           H3*        G  19 -29.190  24.039 -20.889
  201    H2*    G  19           H2*        G  19 -29.482  23.481 -18.590
  202   2HO*    G  19          2HO*        G  19 -29.032  21.441 -17.816
  203    H1*    G  19           H1*        G  19 -26.847  22.585 -18.275
  204    H8     G  19           H8         G  19 -26.312  25.736 -20.116
  205    H1     G  19           H1         G  19 -28.425  26.893 -14.188
  206   1H2     G  19          1H2         G  19 -29.189  25.040 -13.271
  207   2H2     G  19          2H2         G  19 -29.190  23.510 -14.118
  208   1H5*    U  20          1H5*        U  20 -33.897  23.682 -22.149
  209   2H5*    U  20          2H5*        U  20 -32.972  25.137 -21.693
  210    H4*    U  20           H4*        U  20 -34.981  25.170 -20.417
  211    H3*    U  20           H3*        U  20 -32.673  24.166 -18.739
  212    H2*    U  20           H2*        U  20 -34.137  23.981 -16.885
  213   2HO*    U  20          2HO*        U  20 -35.140  26.043 -17.102
  214    H1*    U  20           H1*        U  20 -36.405  23.278 -18.405
  215    H3     U  20           H3         U  20 -36.070  19.562 -15.894
  216    H5     U  20           H5         U  20 -32.482  19.546 -18.092
  217    H6     U  20           H6         U  20 -33.099  21.706 -19.002
  218   1H5*    G  21          1H5*        G  21 -33.626  27.531 -14.614
  219   2H5*    G  21          2H5*        G  21 -31.959  26.970 -14.918
  220    H4*    G  21           H4*        G  21 -34.158  25.683 -13.432
  221    H3*    G  21           H3*        G  21 -31.155  25.382 -13.507
  222    H2*    G  21           H2*        G  21 -31.368  23.310 -12.356
  223   2HO*    G  21          2HO*        G  21 -33.388  22.708 -11.429
  224    H1*    G  21           H1*        G  21 -33.690  22.542 -13.713
  225    H8     G  21           H8         G  21 -31.240  23.885 -16.236
  226    H1     G  21           H1         G  21 -29.963  17.888 -14.430
  227   1H2     G  21          1H2         G  21 -31.203  17.331 -12.686
  228   2H2     G  21          2H2         G  21 -32.342  18.440 -11.958
  229   1H5*    A  22          1H5*        A  22 -32.610  24.737  -9.594
  230   2H5*    A  22          2H5*        A  22 -31.549  25.390  -8.315
  231    H4*    A  22           H4*        A  22 -32.086  23.003  -7.948
  232    H3*    A  22           H3*        A  22 -29.211  23.678  -8.602
  233    H2*    A  22           H2*        A  22 -28.602  21.399  -8.373
  234   2HO*    A  22          2HO*        A  22 -31.234  21.058  -7.287
  235    H1*    A  22           H1*        A  22 -30.827  20.403  -9.657
  236    H8     A  22           H8         A  22 -29.223  23.598 -11.151
  237   1H6     A  22          1H6         A  22 -26.098  19.731 -14.816
  238   2H6     A  22          2H6         A  22 -26.437  21.409 -14.456
  239    H2     A  22           H2         A  22 -28.439  17.305 -11.870
  240   1H5*    C  23          1H5*        C  23 -25.865  24.311  -5.819
  241   2H5*    C  23          2H5*        C  23 -25.800  25.394  -7.236
  242    H4*    C  23           H4*        C  23 -25.699  22.389  -7.124
  243    H3*    C  23           H3*        C  23 -24.061  24.542  -8.461
  244    H2*    C  23           H2*        C  23 -23.487  23.031 -10.215
  245   2HO*    C  23          2HO*        C  23 -24.836  21.048  -8.653
  246    H1*    C  23           H1*        C  23 -25.982  22.105 -10.601
  247   1H4     C  23          1H4         C  23 -25.464  27.330 -14.257
  248   2H4     C  23          2H4         C  23 -26.087  28.312 -12.949
  249    H5     C  23           H5         C  23 -26.524  27.414 -10.700
  250    H6     C  23           H6         C  23 -26.452  25.432  -9.333
  251   1H5*    C  24          1H5*        C  24 -21.767  20.920  -8.704
  252   2H5*    C  24          2H5*        C  24 -20.058  21.302  -8.365
  253    H4*    C  24           H4*        C  24 -20.479  20.115 -10.552
  254    H3*    C  24           H3*        C  24 -19.225  22.869 -10.649
  255    H2*    C  24           H2*        C  24 -18.918  22.548 -13.007
  256   2HO*    C  24          2HO*        C  24 -19.878  19.886 -12.575
  257    H1*    C  24           H1*        C  24 -21.450  21.526 -13.388
  258   1H4     C  24          1H4         C  24 -21.804  27.845 -14.385
  259   2H4     C  24          2H4         C  24 -22.357  28.045 -12.742
  260    H5     C  24           H5         C  24 -22.427  26.204 -11.121
  261    H6     C  24           H6         C  24 -21.959  23.869 -10.798
  262   1H5*    G  25          1H5*        G  25 -16.378  20.248 -12.682
  263   2H5*    G  25          2H5*        G  25 -14.725  20.865 -12.402
  264    H4*    G  25           H4*        G  25 -15.619  20.660 -14.844
  265    H3*    G  25           H3*        G  25 -14.325  23.195 -13.805
  266    H2*    G  25           H2*        G  25 -14.445  24.054 -16.042
  267   2HO*    G  25          2HO*        G  25 -15.359  21.428 -16.743
  268    H1*    G  25           H1*        G  25 -17.038  23.212 -16.409
  269    H8     G  25           H8         G  25 -17.133  24.270 -12.857
  270    H1     G  25           H1         G  25 -16.500  29.277 -16.776
  271   1H2     G  25          1H2         G  25 -15.972  28.597 -18.815
  272   2H2     G  25          2H2         G  25 -15.774  26.903 -19.206
  273   1H5*    U  26          1H5*        U  26 -12.366  23.055 -17.191
  274   2H5*    U  26          2H5*        U  26 -10.605  23.119 -16.907
  275    H4*    U  26           H4*        U  26 -11.531  24.912 -18.440
  276    H3*    U  26           H3*        U  26 -10.125  25.767 -15.897
  277    H2*    U  26           H2*        U  26 -10.323  28.027 -16.630
  278   2HO*    U  26          2HO*        U  26 -11.066  28.482 -18.764
  279    H1*    U  26           H1*        U  26 -12.908  27.697 -17.620
  280    H3     U  26           H3         U  26 -12.619  30.513 -13.910
  281    H5     U  26           H5         U  26 -13.647  26.677 -12.505
  282    H6     U  26           H6         U  26 -13.147  25.804 -14.707
  283   1H5*    G  27          1H5*        G  27  -8.503  27.874 -19.152
  284   2H5*    G  27          2H5*        G  27  -6.731  28.040 -19.034
  285    H4*    G  27           H4*        G  27  -8.231  30.176 -19.297
  286    H3*    G  27           H3*        G  27  -5.699  29.828 -17.929
  287    H2*    G  27           H2*        G  27  -6.533  30.543 -15.865
  288   2HO*    G  27          2HO*        G  27  -5.364  32.424 -16.603
  289    H1*    G  27           H1*        G  27  -8.771  32.042 -17.278
  290    H8     G  27           H8         G  27  -8.771  29.227 -14.613
  291    H1     G  27           H1         G  27 -11.240  34.796 -12.632
  292   1H2     G  27          1H2         G  27 -10.976  36.351 -14.172
  293   2H2     G  27          2H2         G  27 -10.182  36.029 -15.700
  294   1H5*    G  28          1H5*        G  28  -3.814  29.817 -22.274
  295   2H5*    G  28          2H5*        G  28  -2.860  30.591 -20.988
  296    H4*    G  28           H4*        G  28  -3.894  31.787 -23.567
  297    H3*    G  28           H3*        G  28  -1.161  31.366 -22.363
  298    H2*    G  28           H2*        G  28  -0.361  33.464 -23.156
  299   2HO*    G  28          2HO*        G  28  -2.851  33.660 -24.562
  300    H1*    G  28           H1*        G  28  -2.500  34.913 -22.429
  301    H8     G  28           H8         G  28  -2.187  32.059 -19.902
  302    H1     G  28           H1         G  28   1.767  36.935 -18.726
  303   1H2     G  28          1H2         G  28   1.773  38.368 -20.407
  304   2H2     G  28          2H2         G  28   0.794  38.126 -21.840
  305   1H5*    U  29          1H5*        U  29  -0.091  33.143 -25.886
  306   2H5*    U  29          2H5*        U  29   0.985  32.032 -26.771
  307    H4*    U  29           H4*        U  29   2.023  34.232 -26.591
  308    H3*    U  29           H3*        U  29   3.297  32.145 -24.804
  309    H2*    U  29           H2*        U  29   4.961  33.747 -24.226
  310   2HO*    U  29          2HO*        U  29   5.130  35.711 -25.333
  311    H1*    U  29           H1*        U  29   3.185  35.824 -23.928
  312    H3     U  29           H3         U  29   4.598  34.784 -19.731
  313    H5     U  29           H5         U  29   1.664  31.891 -20.618
  314    H6     U  29           H6         U  29   1.614  32.729 -22.884
  315   1H5*    C  30          1H5*        C  30   6.401  34.081 -27.317
  316   2H5*    C  30          2H5*        C  30   7.759  32.941 -27.524
  317    H4*    C  30           H4*        C  30   8.295  35.212 -26.468
  318    H3*    C  30           H3*        C  30   8.981  32.668 -24.976
  319    H2*    C  30           H2*        C  30  10.096  34.029 -23.354
  320   2HO*    C  30          2HO*        C  30  10.395  36.273 -23.741
  321    H1*    C  30           H1*        C  30   8.102  35.978 -23.339
  322   1H4     C  30          1H4         C  30   6.796  32.088 -18.429
  323   2H4     C  30          2H4         C  30   5.906  31.032 -19.498
  324    H5     C  30           H5         C  30   5.828  31.354 -21.925
  325    H6     C  30           H6         C  30   6.585  32.738 -23.743
  326   1H5*    C  31          1H5*        C  31  12.663  34.946 -25.314
  327   2H5*    C  31          2H5*        C  31  14.054  33.835 -25.191
  328    H4*    C  31           H4*        C  31  13.706  35.663 -23.360
  329    H3*    C  31           H3*        C  31  14.180  32.757 -22.661
  330    H2*    C  31           H2*        C  31  14.265  33.423 -20.365
  331   2HO*    C  31          2HO*        C  31  14.271  35.688 -19.842
  332    H1*    C  31           H1*        C  31  12.169  35.282 -20.651
  333   1H4     C  31          1H4         C  31   9.698  29.917 -18.107
  334   2H4     C  31          2H4         C  31   9.241  29.408 -19.715
  335    H5     C  31           H5         C  31   9.910  30.612 -21.739
  336    H6     C  31           H6         C  31  11.132  32.513 -22.582
  337   1H5*    U  32          1H5*        U  32  17.093  34.543 -20.319
  338   2H5*    U  32          2H5*        U  32  18.654  33.757 -20.677
  339    H4*    U  32           H4*        U  32  18.200  33.747 -18.270
  340    H3*    U  32           H3*        U  32  17.997  31.032 -19.589
  341    H2*    U  32           H2*        U  32  17.679  30.069 -17.431
  342   2HO*    U  32          2HO*        U  32  18.014  31.320 -15.547
  343    H1*    U  32           H1*        U  32  16.034  32.138 -16.527
  344    H3     U  32           H3         U  32  13.552  28.294 -16.832
  345    H5     U  32           H5         U  32  13.503  29.967 -20.692
  346    H6     U  32           H6         U  32  15.172  31.550 -19.952
  347   1H5*    C  33          1H5*        C  33  20.667  30.522 -16.339
  348   2H5*    C  33          2H5*        C  33  22.130  29.678 -16.913
  349    H4*    C  33           H4*        C  33  21.169  28.643 -14.877
  350    H3*    C  33           H3*        C  33  21.039  26.989 -17.406
  351    H2*    C  33           H2*        C  33  20.130  25.199 -16.148
  352   2HO*    C  33          2HO*        C  33  20.198  25.231 -13.860
  353    H1*    C  33           H1*        C  33  18.626  26.827 -14.454
  354   1H4     C  33          1H4         C  33  14.177  24.970 -18.588
  355   2H4     C  33          2H4         C  33  15.281  25.084 -19.940
  356    H5     C  33           H5         C  33  17.609  25.814 -19.696
  357    H6     C  33           H6         C  33  19.270  26.587 -18.120
  358   1H5*    C  34          1H5*        C  34  22.882  24.803 -14.077
  359   2H5*    C  34          2H5*        C  34  23.983  23.536 -14.678
  360    H4*    C  34           H4*        C  34  21.953  22.866 -13.161
  361    H3*    C  34           H3*        C  34  22.518  21.457 -15.781
  362    H2*    C  34           H2*        C  34  20.793  19.915 -15.187
  363   2HO*    C  34          2HO*        C  34  19.949  19.848 -13.103
  364    H1*    C  34           H1*        C  34  19.121  21.921 -14.156
  365   1H4     C  34          1H4         C  34  17.103  20.656 -20.091
  366   2H4     C  34          2H4         C  34  18.236  21.828 -20.729
  367    H5     C  34           H5         C  34  19.909  22.967 -19.322
  368    H6     C  34           H6         C  34  20.748  23.200 -17.087
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   2.010  15.486 -14.578
    2   2H5*    G   1          2H5*        G   1   3.378  15.488 -15.691
    3    H4*    G   1           H4*        G   1   3.469  14.559 -12.812
    4    H3*    G   1           H3*        G   1   4.398  17.140 -14.094
    5    H2*    G   1           H2*        G   1   6.189  17.215 -12.502
    6   2HO*    G   1          2HO*        G   1   6.242  15.840 -10.745
    7    H1*    G   1           H1*        G   1   6.838  14.569 -12.815
    8    H8     G   1           H8         G   1   6.174  15.035 -16.313
    9    H1     G   1           H1         G   1  10.969  18.885 -14.556
   10   1H2     G   1          1H2         G   1  11.059  19.047 -12.352
   11   2H2     G   1          2H2         G   1   9.933  18.208 -11.309
   12   1H5*    G   2          1H5*        G   2   4.471  18.037  -9.936
   13   2H5*    G   2          2H5*        G   2   3.690  19.621  -9.676
   14    H4*    G   2           H4*        G   2   6.005  19.395  -8.697
   15    H3*    G   2           H3*        G   2   5.543  21.518 -10.808
   16    H2*    G   2           H2*        G   2   7.769  22.298 -10.393
   17   2HO*    G   2          2HO*        G   2   8.997  21.382  -8.686
   18    H1*    G   2           H1*        G   2   8.855  19.786 -10.396
   19    H8     G   2           H8         G   2   6.283  19.460 -13.062
   20    H1     G   2           H1         G   2  11.127  23.214 -14.895
   21   1H2     G   2          1H2         G   2  12.372  23.777 -13.153
   22   2H2     G   2          2H2         G   2  12.013  23.216 -11.536
   23   1H5*    A   3          1H5*        A   3   7.485  23.614  -8.130
   24   2H5*    A   3          2H5*        A   3   6.789  25.232  -7.851
   25    H4*    A   3           H4*        A   3   9.232  24.999  -8.788
   26    H3*    A   3           H3*        A   3   7.170  26.832 -10.022
   27    H2*    A   3           H2*        A   3   8.745  27.497 -11.600
   28   2HO*    A   3          2HO*        A   3  11.046  27.229 -11.166
   29    H1*    A   3           H1*        A   3  10.286  25.015 -11.375
   30    H8     A   3           H8         A   3   7.097  23.998 -12.785
   31   1H6     A   3          1H6         A   3   8.759  26.488 -18.226
   32   2H6     A   3          2H6         A   3   7.622  25.425 -17.423
   33    H2     A   3           H2         A   3  11.572  27.981 -15.082
   34   1H5*    G   4          1H5*        G   4  10.751  29.198  -8.751
   35   2H5*    G   4          2H5*        G   4  10.147  30.755  -8.123
   36    H4*    G   4           H4*        G   4  11.986  31.092  -9.712
   37    H3*    G   4           H3*        G   4   9.297  31.915 -10.837
   38    H2*    G   4           H2*        G   4  10.528  32.895 -12.652
   39   2HO*    G   4          2HO*        G   4  12.809  32.994 -12.563
   40    H1*    G   4           H1*        G   4  12.241  30.703 -12.845
   41    H8     G   4           H8         G   4   8.742  29.401 -12.243
   42    H1     G   4           H1         G   4   9.736  31.302 -18.275
   43   1H2     G   4          1H2         G   4  11.643  32.420 -18.418
   44   2H2     G   4          2H2         G   4  12.670  32.684 -17.029
   45   1H5*    G   5          1H5*        G   5  11.987  35.180 -10.989
   46   2H5*    G   5          2H5*        G   5  11.156  36.733 -10.713
   47    H4*    G   5           H4*        G   5  12.550  36.604 -12.820
   48    H3*    G   5           H3*        G   5   9.578  37.072 -13.176
   49    H2*    G   5           H2*        G   5  10.070  37.499 -15.477
   50   2HO*    G   5          2HO*        G   5  12.276  37.702 -16.151
   51    H1*    G   5           H1*        G   5  12.060  35.483 -15.564
   52    H8     G   5           H8         G   5   9.176  33.699 -14.058
   53    H1     G   5           H1         G   5   8.064  35.019 -20.206
   54   1H2     G   5          1H2         G   5   9.525  36.475 -20.984
   55   2H2     G   5          2H2         G   5  10.791  37.154 -19.983
   56   1H5*    A   6          1H5*        A   6  11.425  40.265 -15.299
   57   2H5*    A   6          2H5*        A   6  10.671  41.764 -14.695
   58    H4*    A   6           H4*        A   6  10.657  41.799 -17.109
   59    H3*    A   6           H3*        A   6   7.912  41.163 -15.991
   60    H2*    A   6           H2*        A   6   7.070  41.303 -18.213
   61   2HO*    A   6          2HO*        A   6   8.348  42.133 -19.892
   62    H1*    A   6           H1*        A   6   9.243  39.999 -19.340
   63    H8     A   6           H8         A   6   8.069  38.327 -16.096
   64   1H6     A   6          1H6         A   6   4.068  35.230 -19.689
   65   2H6     A   6          2H6         A   6   4.738  35.377 -18.082
   66    H2     A   6           H2         A   6   6.103  38.401 -22.176
   67   1H5*    C   7          1H5*        C   7   7.637  44.571 -18.805
   68   2H5*    C   7          2H5*        C   7   6.208  45.538 -18.362
   69    H4*    C   7           H4*        C   7   6.294  44.536 -20.741
   70    H3*    C   7           H3*        C   7   3.936  43.935 -18.947
   71    H2*    C   7           H2*        C   7   2.888  43.008 -20.946
   72   2HO*    C   7          2HO*        C   7   4.014  43.130 -22.946
   73    H1*    C   7           H1*        C   7   5.160  41.612 -21.605
   74   1H4     C   7          1H4         C   7   1.643  37.607 -18.123
   75   2H4     C   7          2H4         C   7   2.295  38.282 -16.647
   76    H5     C   7           H5         C   7   3.768  40.212 -16.604
   77    H6     C   7           H6         C   7   4.933  41.854 -17.984
   78   1H5*    A   8          1H5*        A   8   0.546  44.329 -18.419
   79   2H5*    A   8          2H5*        A   8   2.053  43.779 -19.185
   80    H4*    A   8           H4*        A   8   0.552  44.119 -21.385
   81    H3*    A   8           H3*        A   8  -1.438  43.671 -19.198
   82    H2*    A   8           H2*        A   8  -2.563  41.957 -20.433
   83   2HO*    A   8          2HO*        A   8  -1.917  41.520 -22.610
   84    H1*    A   8           H1*        A   8  -0.371  40.634 -21.210
   85    H8     A   8           H8         A   8   0.450  42.295 -17.937
   86   1H6     A   8          1H6         A   8  -2.099  37.364 -15.201
   87   2H6     A   8          2H6         A   8  -1.155  38.812 -14.943
   88    H2     A   8           H2         A   8  -3.006  37.200 -19.597
   89   1H5*    U   9          1H5*        U   9  -3.366  43.191 -23.336
   90   2H5*    U   9          2H5*        U   9  -4.639  44.428 -23.201
   91    H4*    U   9           H4*        U   9  -5.586  42.356 -24.064
   92    H3*    U   9           H3*        U   9  -6.366  42.991 -21.217
   93    H2*    U   9           H2*        U   9  -7.782  41.093 -21.325
   94   2HO*    U   9          2HO*        U   9  -8.633  41.658 -23.433
   95    H1*    U   9           H1*        U   9  -6.089  39.549 -22.930
   96    H3     U   9           H3         U   9  -6.195  36.928 -19.275
   97    H5     U   9           H5         U   9  -4.197  40.379 -17.953
   98    H6     U   9           H6         U   9  -4.639  41.386 -20.109
   99   1H5*    C  10          1H5*        C  10  -9.197  42.494 -21.418
  100   2H5*    C  10          2H5*        C  10 -10.471  43.666 -21.010
  101    H4*    C  10           H4*        C  10 -10.247  43.347 -18.753
  102    H3*    C  10           H3*        C  10  -7.365  43.081 -19.202
  103    H2*    C  10           H2*        C  10  -7.400  40.747 -18.951
  104   2HO*    C  10          2HO*        C  10  -7.322  40.064 -16.806
  105    H1*    C  10           H1*        C  10  -9.976  41.003 -17.373
  106   1H4     C  10          1H4         C  10 -10.557  34.759 -18.336
  107   2H4     C  10          2H4         C  10  -9.412  34.794 -19.658
  108    H5     C  10           H5         C  10  -8.341  36.865 -20.428
  109    H6     C  10           H6         C  10  -8.179  39.239 -20.083
  110   1H5*    C  11          1H5*        C  11  -4.483  43.547 -16.954
  111   2H5*    C  11          2H5*        C  11  -6.090  42.787 -16.897
  112    H4*    C  11           H4*        C  11  -5.126  44.826 -14.888
  113    H3*    C  11           H3*        C  11  -4.173  42.150 -14.948
  114    H2*    C  11           H2*        C  11  -6.309  41.221 -14.398
  115   2HO*    C  11          2HO*        C  11  -4.925  40.705 -12.623
  116    H1*    C  11           H1*        C  11  -6.757  43.655 -12.637
  117   1H4     C  11          1H4         C  11 -12.590  41.226 -11.971
  118   2H4     C  11          2H4         C  11 -12.696  40.874 -13.679
  119    H5     C  11           H5         C  11 -10.846  41.266 -15.234
  120    H6     C  11           H6         C  11  -8.582  42.080 -15.430
  121   1H5*    C  12          1H5*        C  12  -4.014  42.251 -11.079
  122   2H5*    C  12          2H5*        C  12  -2.433  42.430 -10.270
  123    H4*    C  12           H4*        C  12  -3.825  40.414  -9.635
  124    H3*    C  12           H3*        C  12  -0.941  40.381 -10.273
  125    H2*    C  12           H2*        C  12  -1.139  38.436 -11.558
  126   2HO*    C  12          2HO*        C  12  -1.236  36.553 -10.401
  127    H1*    C  12           H1*        C  12  -3.900  37.899 -10.411
  128   1H4     C  12          1H4         C  12  -3.204  34.572 -16.061
  129   2H4     C  12          2H4         C  12  -4.755  35.327 -16.348
  130    H5     C  12           H5         C  12  -5.701  37.025 -14.861
  131    H6     C  12           H6         C  12  -5.340  38.312 -12.856
  132   1H5*    U  13          1H5*        U  13  -4.589  41.985  -6.129
  133   2H5*    U  13          2H5*        U  13  -3.904  40.350  -6.012
  134    H4*    U  13           H4*        U  13  -6.169  41.311  -7.783
  135    H3*    U  13           H3*        U  13  -6.211  39.861  -5.289
  136    H2*    U  13           H2*        U  13  -5.696  37.819  -6.421
  137   2HO*    U  13          2HO*        U  13  -7.953  37.726  -5.669
  138    H1*    U  13           H1*        U  13  -7.194  39.103  -8.724
  139    H3     U  13           H3         U  13  -6.972  35.945 -11.852
  140    H5     U  13           H5         U  13  -3.983  34.713  -9.189
  141    H6     U  13           H6         U  13  -4.409  36.708  -7.867
  142   1H5*    C  14          1H5*        C  14 -11.039  40.999  -6.983
  143   2H5*    C  14          2H5*        C  14 -12.163  39.628  -6.785
  144    H4*    C  14           H4*        C  14 -10.709  40.509  -9.143
  145    H3*    C  14           H3*        C  14 -12.959  38.555  -8.624
  146    H2*    C  14           H2*        C  14 -12.321  37.144 -10.338
  147   2HO*    C  14          2HO*        C  14 -11.427  38.056 -12.292
  148    H1*    C  14           H1*        C  14  -9.692  38.396 -10.798
  149   1H4     C  14          1H4         C  14  -9.108  31.938 -10.054
  150   2H4     C  14          2H4         C  14  -7.997  32.392  -8.786
  151    H5     C  14           H5         C  14  -7.727  34.746  -8.003
  152    H6     C  14           H6         C  14  -8.532  36.966  -8.326
  153   1H5*    A  15          1H5*        A  15 -14.434  40.256 -12.887
  154   2H5*    A  15          2H5*        A  15 -15.860  39.209 -13.096
  155    H4*    A  15           H4*        A  15 -13.202  38.889 -14.160
  156    H3*    A  15           H3*        A  15 -15.616  37.063 -14.302
  157    H2*    A  15           H2*        A  15 -14.165  35.554 -15.500
  158   2HO*    A  15          2HO*        A  15 -12.103  36.305 -16.226
  159    H1*    A  15           H1*        A  15 -11.924  36.307 -13.866
  160    H8     A  15           H8         A  15 -14.758  35.503 -11.624
  161   1H6     A  15          1H6         A  15 -13.326  29.515 -12.403
  162   2H6     A  15          2H6         A  15 -14.293  30.640 -11.473
  163    H2     A  15           H2         A  15 -11.011  31.960 -15.352
  164   1H5*    C  16          1H5*        C  16 -14.402  37.656 -18.549
  165   2H5*    C  16          2H5*        C  16 -15.861  37.435 -19.554
  166    H4*    C  16           H4*        C  16 -13.921  35.889 -20.074
  167    H3*    C  16           H3*        C  16 -16.545  34.645 -19.210
  168    H2*    C  16           H2*        C  16 -15.589  32.521 -19.766
  169   2HO*    C  16          2HO*        C  16 -13.556  32.415 -20.804
  170    H1*    C  16           H1*        C  16 -13.158  33.123 -18.579
  171   1H4     C  16          1H4         C  16 -16.353  30.101 -13.995
  172   2H4     C  16          2H4         C  16 -17.481  31.425 -13.827
  173    H5     C  16           H5         C  16 -17.428  33.412 -15.267
  174    H6     C  16           H6         C  16 -16.248  34.485 -17.101
  175   1H5*    G  17          1H5*        G  17 -15.781  32.678 -23.035
  176   2H5*    G  17          2H5*        G  17 -17.379  32.214 -23.675
  177    H4*    G  17           H4*        G  17 -15.635  30.363 -23.052
  178    H3*    G  17           H3*        G  17 -18.509  30.258 -22.106
  179    H2*    G  17           H2*        G  17 -18.029  28.082 -21.233
  180   2HO*    G  17          2HO*        G  17 -16.049  27.051 -21.736
  181    H1*    G  17           H1*        G  17 -15.511  28.828 -20.280
  182    H8     G  17           H8         G  17 -17.682  31.684 -19.300
  183    H1     G  17           H1         G  17 -18.900  26.468 -15.811
  184   1H2     G  17          1H2         G  17 -17.972  24.684 -16.738
  185   2H2     G  17          2H2         G  17 -17.041  24.786 -18.214
  186   1H5*    G  18          1H5*        G  18 -17.789  26.425 -23.778
  187   2H5*    G  18          2H5*        G  18 -19.071  26.152 -24.988
  188    H4*    G  18           H4*        G  18 -18.872  24.209 -23.534
  189    H3*    G  18           H3*        G  18 -21.346  25.860 -22.964
  190    H2*    G  18           H2*        G  18 -22.031  24.172 -21.437
  191   2HO*    G  18          2HO*        G  18 -20.987  22.141 -21.396
  192    H1*    G  18           H1*        G  18 -19.433  23.695 -20.482
  193    H8     G  18           H8         G  18 -20.112  27.424 -20.728
  194    H1     G  18           H1         G  18 -22.563  24.725 -15.462
  195   1H2     G  18          1H2         G  18 -22.433  22.523 -15.595
  196   2H2     G  18          2H2         G  18 -21.746  21.714 -16.986
  197   1H5*    G  19          1H5*        G  19 -25.678  23.854 -24.133
  198   2H5*    G  19          2H5*        G  19 -25.115  25.239 -23.157
  199    H4*    G  19           H4*        G  19 -25.431  22.385 -22.159
  200    H3*    G  19           H3*        G  19 -27.115  24.865 -21.689
  201    H2*    G  19           H2*        G  19 -27.662  23.975 -19.547
  202   2HO*    G  19          2HO*        G  19 -27.434  21.839 -19.070
  203    H1*    G  19           H1*        G  19 -25.076  22.936 -19.123
  204    H8     G  19           H8         G  19 -24.571  26.437 -20.355
  205    H1     G  19           H1         G  19 -26.622  26.282 -14.299
  206   1H2     G  19          1H2         G  19 -27.306  24.251 -13.773
  207   2H2     G  19          2H2         G  19 -27.267  22.927 -14.915
  208   1H5*    U  20          1H5*        U  20 -30.293  25.134 -20.352
  209   2H5*    U  20          2H5*        U  20 -30.029  24.013 -18.996
  210    H4*    U  20           H4*        U  20 -32.506  24.606 -20.546
  211    H3*    U  20           H3*        U  20 -31.868  23.839 -17.699
  212    H2*    U  20           H2*        U  20 -34.096  23.059 -17.425
  213   2HO*    U  20          2HO*        U  20 -35.230  24.773 -18.384
  214    H1*    U  20           H1*        U  20 -34.312  22.047 -20.047
  215    H3     U  20           H3         U  20 -34.441  19.077 -16.274
  216    H5     U  20           H5         U  20 -30.887  18.530 -18.459
  217    H6     U  20           H6         U  20 -31.377  20.594 -19.655
  218   1H5*    G  21          1H5*        G  21 -30.350  26.450 -15.193
  219   2H5*    G  21          2H5*        G  21 -30.757  25.443 -16.608
  220    H4*    G  21           H4*        G  21 -32.412  24.933 -14.219
  221    H3*    G  21           H3*        G  21 -29.442  24.430 -14.154
  222    H2*    G  21           H2*        G  21 -29.799  22.302 -13.159
  223   2HO*    G  21          2HO*        G  21 -31.833  21.734 -12.314
  224    H1*    G  21           H1*        G  21 -32.034  21.670 -14.666
  225    H8     G  21           H8         G  21 -29.374  23.329 -16.825
  226    H1     G  21           H1         G  21 -28.495  17.051 -16.004
  227   1H2     G  21          1H2         G  21 -29.890  16.273 -14.473
  228   2H2     G  21          2H2         G  21 -31.034  17.303 -13.647
  229   1H5*    A  22          1H5*        A  22 -31.005  23.573 -10.245
  230   2H5*    A  22          2H5*        A  22 -29.850  24.040  -8.964
  231    H4*    A  22           H4*        A  22 -30.500  21.652  -8.823
  232    H3*    A  22           H3*        A  22 -27.620  22.234  -9.556
  233    H2*    A  22           H2*        A  22 -27.170  19.874  -9.505
  234   2HO*    A  22          2HO*        A  22 -28.470  19.347  -7.668
  235    H1*    A  22           H1*        A  22 -29.426  19.194 -10.877
  236    H8     A  22           H8         A  22 -27.710  22.486 -11.984
  237   1H6     A  22          1H6         A  22 -24.692  18.994 -16.085
  238   2H6     A  22          2H6         A  22 -24.988  20.627 -15.531
  239    H2     A  22           H2         A  22 -27.113  16.304 -13.448
  240   1H5*    C  23          1H5*        C  23 -24.117  22.274  -6.884
  241   2H5*    C  23          2H5*        C  23 -24.012  23.569  -8.106
  242    H4*    C  23           H4*        C  23 -24.198  20.588  -8.502
  243    H3*    C  23           H3*        C  23 -22.344  22.764  -9.465
  244    H2*    C  23           H2*        C  23 -21.948  21.565 -11.492
  245   2HO*    C  23          2HO*        C  23 -22.786  19.464 -11.775
  246    H1*    C  23           H1*        C  23 -24.532  21.025 -11.992
  247   1H4     C  23          1H4         C  23 -23.387  26.843 -14.435
  248   2H4     C  23          2H4         C  23 -24.078  27.560 -12.997
  249    H5     C  23           H5         C  23 -24.751  26.235 -11.036
  250    H6     C  23           H6         C  23 -24.865  24.011 -10.117
  251   1H5*    C  24          1H5*        C  24 -20.357  19.278 -10.471
  252   2H5*    C  24          2H5*        C  24 -18.646  19.353  -9.974
  253    H4*    C  24           H4*        C  24 -18.981  18.823 -12.399
  254    H3*    C  24           H3*        C  24 -17.564  21.409 -11.718
  255    H2*    C  24           H2*        C  24 -17.158  21.726 -14.054
  256   2HO*    C  24          2HO*        C  24 -17.656  20.069 -15.547
  257    H1*    C  24           H1*        C  24 -19.702  20.970 -14.815
  258   1H4     C  24          1H4         C  24 -19.671  27.357 -14.142
  259   2H4     C  24          2H4         C  24 -20.469  27.148 -12.602
  260    H5     C  24           H5         C  24 -20.834  24.949 -11.569
  261    H6     C  24           H6         C  24 -20.471  22.586 -11.829
  262   1H5*    G  25          1H5*        G  25 -14.993  19.400 -14.396
  263   2H5*    G  25          2H5*        G  25 -13.278  19.699 -14.002
  264    H4*    G  25           H4*        G  25 -14.157  20.418 -16.331
  265    H3*    G  25           H3*        G  25 -12.656  22.323 -14.517
  266    H2*    G  25           H2*        G  25 -12.749  23.964 -16.240
  267   2HO*    G  25          2HO*        G  25 -13.465  23.405 -18.342
  268    H1*    G  25           H1*        G  25 -15.361  23.384 -16.966
  269    H8     G  25           H8         G  25 -15.369  23.294 -13.224
  270    H1     G  25           H1         G  25 -15.059  29.256 -15.501
  271   1H2     G  25          1H2         G  25 -14.584  29.242 -17.655
  272   2H2     G  25          2H2         G  25 -14.360  27.753 -18.548
  273   1H5*    U  26          1H5*        U  26 -10.851  22.595 -18.366
  274   2H5*    U  26          2H5*        U  26  -9.118  22.990 -18.215
  275    H4*    U  26           H4*        U  26 -10.710  24.659 -19.440
  276    H3*    U  26           H3*        U  26  -8.771  25.510 -17.281
  277    H2*    U  26           H2*        U  26  -9.427  27.775 -17.639
  278   2HO*    U  26          2HO*        U  26 -10.711  28.337 -19.444
  279    H1*    U  26           H1*        U  26 -12.121  27.175 -17.987
  280    H3     U  26           H3         U  26 -11.991  29.549 -14.132
  281    H5     U  26           H5         U  26 -10.559  25.746 -13.045
  282    H6     U  26           H6         U  26 -10.567  25.144 -15.390
  283   1H5*    G  27          1H5*        G  27  -8.415  28.415 -20.239
  284   2H5*    G  27          2H5*        G  27  -6.692  28.567 -20.662
  285    H4*    G  27           H4*        G  27  -7.870  30.732 -20.080
  286    H3*    G  27           H3*        G  27  -5.249  29.930 -19.290
  287    H2*    G  27           H2*        G  27  -5.738  29.890 -16.989
  288   2HO*    G  27          2HO*        G  27  -4.395  31.727 -17.131
  289    H1*    G  27           H1*        G  27  -7.874  32.006 -17.400
  290    H8     G  27           H8         G  27  -7.666  28.460 -15.801
  291    H1     G  27           H1         G  27  -9.822  33.086 -11.938
  292   1H2     G  27          1H2         G  27  -9.757  35.042 -12.961
  293   2H2     G  27          2H2         G  27  -9.179  35.215 -14.605
  294   1H5*    G  28          1H5*        G  28  -4.504  30.654 -23.234
  295   2H5*    G  28          2H5*        G  28  -2.812  30.773 -22.698
  296    H4*    G  28           H4*        G  28  -4.286  32.454 -24.531
  297    H3*    G  28           H3*        G  28  -1.416  32.181 -23.670
  298    H2*    G  28           H2*        G  28  -0.862  34.389 -24.354
  299   2HO*    G  28          2HO*        G  28  -2.392  35.643 -25.549
  300    H1*    G  28           H1*        G  28  -3.061  35.616 -23.366
  301    H8     G  28           H8         G  28  -2.585  32.972 -20.788
  302    H1     G  28           H1         G  28   1.859  37.555 -20.374
  303   1H2     G  28          1H2         G  28   1.829  38.830 -22.179
  304   2H2     G  28          2H2         G  28   0.708  38.551 -23.494
  305   1H5*    U  29          1H5*        U  29  -0.632  34.063 -27.199
  306   2H5*    U  29          2H5*        U  29   0.211  32.898 -28.254
  307    H4*    U  29           H4*        U  29   1.518  34.890 -28.272
  308    H3*    U  29           H3*        U  29   2.704  32.861 -26.364
  309    H2*    U  29           H2*        U  29   4.518  34.348 -25.963
  310   2HO*    U  29          2HO*        U  29   4.746  36.256 -27.200
  311    H1*    U  29           H1*        U  29   2.958  36.572 -25.709
  312    H3     U  29           H3         U  29   4.289  35.581 -21.490
  313    H5     U  29           H5         U  29   1.176  32.853 -22.260
  314    H6     U  29           H6         U  29   1.153  33.634 -24.548
  315   1H5*    C  30          1H5*        C  30   6.006  34.273 -29.000
  316   2H5*    C  30          2H5*        C  30   7.150  32.911 -29.140
  317    H4*    C  30           H4*        C  30   8.105  35.077 -28.215
  318    H3*    C  30           H3*        C  30   8.236  32.598 -26.477
  319    H2*    C  30           H2*        C  30   9.619  33.867 -24.978
  320   2HO*    C  30          2HO*        C  30  10.268  36.006 -25.583
  321    H1*    C  30           H1*        C  30   8.003  36.123 -25.147
  322   1H4     C  30          1H4         C  30   5.952  32.899 -20.028
  323   2H4     C  30          2H4         C  30   4.988  31.855 -21.046
  324    H5     C  30           H5         C  30   5.048  31.962 -23.492
  325    H6     C  30           H6         C  30   6.042  33.077 -25.383
  326   1H5*    C  31          1H5*        C  31  12.226  33.948 -26.768
  327   2H5*    C  31          2H5*        C  31  13.361  32.573 -26.673
  328    H4*    C  31           H4*        C  31  13.568  34.355 -24.856
  329    H3*    C  31           H3*        C  31  13.012  31.496 -24.025
  330    H2*    C  31           H2*        C  31  13.389  32.219 -21.768
  331   2HO*    C  31          2HO*        C  31  14.168  34.350 -21.371
  332    H1*    C  31           H1*        C  31  11.975  34.611 -22.150
  333   1H4     C  31          1H4         C  31   7.940  30.506 -19.368
  334   2H4     C  31          2H4         C  31   7.463  29.907 -20.940
  335    H5     C  31           H5         C  31   8.558  30.609 -23.028
  336    H6     C  31           H6         C  31  10.292  32.010 -23.964
  337   1H5*    U  32          1H5*        U  32  16.373  32.276 -21.785
  338   2H5*    U  32          2H5*        U  32  17.545  30.949 -22.015
  339    H4*    U  32           H4*        U  32  17.085  31.342 -19.633
  340    H3*    U  32           H3*        U  32  15.905  28.751 -20.670
  341    H2*    U  32           H2*        U  32  15.405  28.219 -18.388
  342   2HO*    U  32          2HO*        U  32  16.959  30.544 -17.756
  343    H1*    U  32           H1*        U  32  14.555  30.815 -17.809
  344    H3     U  32           H3         U  32  10.991  27.912 -17.621
  345    H5     U  32           H5         U  32  11.328  29.036 -21.666
  346    H6     U  32           H6         U  32  13.424  30.109 -21.125
  347   1H5*    C  33          1H5*        C  33  18.841  28.071 -17.404
  348   2H5*    C  33          2H5*        C  33  19.411  26.381 -17.415
  349    H4*    C  33           H4*        C  33  18.201  27.378 -15.296
  350    H3*    C  33           H3*        C  33  17.459  24.683 -16.459
  351    H2*    C  33           H2*        C  33  16.033  24.410 -14.557
  352   2HO*    C  33          2HO*        C  33  17.417  26.680 -13.484
  353    H1*    C  33           H1*        C  33  15.311  27.151 -14.513
  354   1H4     C  33          1H4         C  33  10.476  23.599 -16.826
  355   2H4     C  33          2H4         C  33  10.971  24.061 -18.436
  356    H5     C  33           H5         C  33  13.008  25.299 -18.896
  357    H6     C  33           H6         C  33  14.977  26.330 -17.895
  358   1H5*    C  34          1H5*        C  34  18.243  23.794 -12.502
  359   2H5*    C  34          2H5*        C  34  19.161  22.271 -12.365
  360    H4*    C  34           H4*        C  34  16.962  22.337 -11.105
  361    H3*    C  34           H3*        C  34  17.247  20.251 -13.283
  362    H2*    C  34           H2*        C  34  15.174  19.347 -12.507
  363   2HO*    C  34          2HO*        C  34  14.286  20.053 -10.511
  364    H1*    C  34           H1*        C  34  14.087  21.899 -11.960
  365   1H4     C  34          1H4         C  34  11.533  19.642 -17.388
  366   2H4     C  34          2H4         C  34  12.727  20.544 -18.295
  367    H5     C  34           H5         C  34  14.598  21.729 -17.223
  368    H6     C  34           H6         C  34  15.625  22.266 -15.107
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   4.239  15.252 -14.243
    2   2H5*    G   1          2H5*        G   1   5.411  15.438 -15.549
    3    H4*    G   1           H4*        G   1   6.000  14.253 -12.827
    4    H3*    G   1           H3*        G   1   6.601  16.991 -13.969
    5    H2*    G   1           H2*        G   1   8.620  17.020 -12.681
    6   2HO*    G   1          2HO*        G   1   7.737  16.012 -10.773
    7    H1*    G   1           H1*        G   1   9.302  14.432 -13.310
    8    H8     G   1           H8         G   1   8.173  15.156 -16.634
    9    H1     G   1           H1         G   1  13.023  19.067 -15.191
   10   1H2     G   1          1H2         G   1  13.399  19.057 -13.013
   11   2H2     G   1          2H2         G   1  12.447  18.095 -11.906
   12   1H5*    G   2          1H5*        G   2   7.188  17.487  -9.750
   13   2H5*    G   2          2H5*        G   2   6.422  19.014  -9.234
   14    H4*    G   2           H4*        G   2   8.854  18.754  -8.601
   15    H3*    G   2           H3*        G   2   8.051  21.073 -10.376
   16    H2*    G   2           H2*        G   2  10.298  21.880 -10.229
   17   2HO*    G   2          2HO*        G   2  11.797  20.819  -8.837
   18    H1*    G   2           H1*        G   2  11.429  19.426 -10.644
   19    H8     G   2           H8         G   2   8.457  19.315 -12.906
   20    H1     G   2           H1         G   2  12.979  23.271 -15.088
   21   1H2     G   2          1H2         G   2  14.491  23.667 -13.521
   22   2H2     G   2          2H2         G   2  14.390  22.941 -11.931
   23   1H5*    A   3          1H5*        A   3  10.356  22.964  -7.810
   24   2H5*    A   3          2H5*        A   3   9.669  24.519  -7.271
   25    H4*    A   3           H4*        A   3  11.934  24.529  -8.552
   26    H3*    A   3           H3*        A   3   9.619  26.267  -9.420
   27    H2*    A   3           H2*        A   3  10.955  27.153 -11.103
   28   2HO*    A   3          2HO*        A   3  13.146  26.312  -9.463
   29    H1*    A   3           H1*        A   3  12.589  24.753 -11.333
   30    H8     A   3           H8         A   3   9.166  23.746 -12.172
   31   1H6     A   3          1H6         A   3   9.873  26.490 -17.702
   32   2H6     A   3          2H6         A   3   8.878  25.395 -16.762
   33    H2     A   3           H2         A   3  13.218  27.805 -15.036
   34   1H5*    G   4          1H5*        G   4  13.082  28.983  -8.560
   35   2H5*    G   4          2H5*        G   4  12.366  30.455  -7.853
   36    H4*    G   4           H4*        G   4  13.914  30.953  -9.719
   37    H3*    G   4           H3*        G   4  11.009  31.535 -10.358
   38    H2*    G   4           H2*        G   4  11.833  32.641 -12.322
   39   2HO*    G   4          2HO*        G   4  14.072  32.997 -12.586
   40    H1*    G   4           H1*        G   4  13.744  30.641 -12.798
   41    H8     G   4           H8         G   4  10.533  28.913 -11.876
   42    H1     G   4           H1         G   4  10.492  31.259 -17.833
   43   1H2     G   4          1H2         G   4  12.215  32.621 -18.123
   44   2H2     G   4          2H2         G   4  13.372  32.939 -16.854
   45   1H5*    G   5          1H5*        G   5  13.486  35.082 -10.758
   46   2H5*    G   5          2H5*        G   5  12.538  36.543 -10.373
   47    H4*    G   5           H4*        G   5  13.769  36.497 -12.624
   48    H3*    G   5           H3*        G   5  10.772  36.937 -12.621
   49    H2*    G   5           H2*        G   5  11.001  37.457 -14.947
   50   2HO*    G   5          2HO*        G   5  13.098  37.716 -15.860
   51    H1*    G   5           H1*        G   5  12.944  35.442 -15.343
   52    H8     G   5           H8         G   5  10.306  33.599 -13.519
   53    H1     G   5           H1         G   5   8.311  35.176 -19.385
   54   1H2     G   5          1H2         G   5   9.646  36.678 -20.297
   55   2H2     G   5          2H2         G   5  11.049  37.309 -19.459
   56   1H5*    A   6          1H5*        A   6  12.350  40.242 -14.806
   57   2H5*    A   6          2H5*        A   6  11.659  41.705 -14.056
   58    H4*    A   6           H4*        A   6  11.404  41.822 -16.468
   59    H3*    A   6           H3*        A   6   8.784  41.203 -15.073
   60    H2*    A   6           H2*        A   6   7.710  41.465 -17.193
   61   2HO*    A   6          2HO*        A   6   8.895  42.271 -18.985
   62    H1*    A   6           H1*        A   6   9.718  40.130 -18.581
   63    H8     A   6           H8         A   6   8.969  38.280 -15.344
   64   1H6     A   6          1H6         A   6   4.276  35.620 -18.400
   65   2H6     A   6          2H6         A   6   5.226  35.605 -16.934
   66    H2     A   6           H2         A   6   5.951  38.931 -20.944
   67   1H5*    C   7          1H5*        C   7   8.296  44.646 -17.709
   68   2H5*    C   7          2H5*        C   7   7.117  45.761 -16.974
   69    H4*    C   7           H4*        C   7   6.627  44.970 -19.357
   70    H3*    C   7           H3*        C   7   4.579  44.508 -17.173
   71    H2*    C   7           H2*        C   7   3.091  43.698 -18.849
   72   2HO*    C   7          2HO*        C   7   3.640  43.944 -21.083
   73    H1*    C   7           H1*        C   7   5.106  42.381 -20.286
   74   1H4     C   7          1H4         C   7   2.225  37.832 -16.860
   75   2H4     C   7          2H4         C   7   3.021  38.376 -15.403
   76    H5     C   7           H5         C   7   4.447  40.361 -15.331
   77    H6     C   7           H6         C   7   5.372  42.174 -16.642
   78   1H5*    A   8          1H5*        A   8   0.447  47.305 -18.999
   79   2H5*    A   8          2H5*        A   8   0.506  45.779 -18.078
   80    H4*    A   8           H4*        A   8   0.215  46.149 -21.059
   81    H3*    A   8           H3*        A   8  -1.541  45.032 -18.904
   82    H2*    A   8           H2*        A   8  -2.322  43.281 -20.330
   83   2HO*    A   8          2HO*        A   8  -1.703  43.243 -22.546
   84    H1*    A   8           H1*        A   8   0.061  42.539 -21.248
   85    H8     A   8           H8         A   8   0.966  43.876 -17.927
   86   1H6     A   8          1H6         A   8  -1.021  38.545 -15.476
   87   2H6     A   8          2H6         A   8  -0.125  40.015 -15.170
   88    H2     A   8           H2         A   8  -2.407  38.750 -19.736
   89   1H5*    U   9          1H5*        U   9  -3.541  45.466 -22.506
   90   2H5*    U   9          2H5*        U   9  -5.290  45.816 -22.493
   91    H4*    U   9           H4*        U   9  -4.334  43.620 -23.630
   92    H3*    U   9           H3*        U   9  -6.959  44.130 -22.915
   93    H2*    U   9           H2*        U   9  -6.245  43.723 -20.567
   94   2HO*    U   9          2HO*        U   9  -8.110  42.117 -21.752
   95    H1*    U   9           H1*        U   9  -5.439  41.084 -21.703
   96    H3     U   9           H3         U   9  -5.187  39.195 -17.589
   97    H5     U   9           H5         U   9  -3.135  42.832 -17.139
   98    H6     U   9           H6         U   9  -3.778  43.398 -19.385
   99   1H5*    C  10          1H5*        C  10  -7.126  40.260 -21.880
  100   2H5*    C  10          2H5*        C  10  -7.651  39.201 -23.199
  101    H4*    C  10           H4*        C  10  -8.705  38.148 -21.507
  102    H3*    C  10           H3*        C  10 -10.526  39.702 -22.868
  103    H2*    C  10           H2*        C  10 -10.590  41.500 -21.344
  104   2HO*    C  10          2HO*        C  10 -12.347  39.747 -19.968
  105    H1*    C  10           H1*        C  10 -10.394  39.635 -18.998
  106   1H4     C  10          1H4         C  10  -9.341  45.617 -16.664
  107   2H4     C  10          2H4         C  10  -7.673  45.111 -16.555
  108    H5     C  10           H5         C  10  -6.861  43.005 -17.508
  109    H6     C  10           H6         C  10  -7.492  41.026 -18.737
  110   1H5*    C  11          1H5*        C  11  -8.556  35.924 -18.590
  111   2H5*    C  11          2H5*        C  11  -9.981  36.667 -17.809
  112    H4*    C  11           H4*        C  11  -7.604  38.358 -18.536
  113    H3*    C  11           H3*        C  11  -7.742  36.424 -16.248
  114    H2*    C  11           H2*        C  11  -7.838  38.151 -14.689
  115   2HO*    C  11          2HO*        C  11  -6.191  39.669 -14.561
  116    H1*    C  11           H1*        C  11  -7.636  40.261 -16.874
  117   1H4     C  11          1H4         C  11 -11.334  42.594 -11.999
  118   2H4     C  11          2H4         C  11 -12.438  42.854 -13.329
  119    H5     C  11           H5         C  11 -12.033  41.974 -15.586
  120    H6     C  11           H6         C  11 -10.510  40.701 -16.947
  121   1H5*    C  12          1H5*        C  12  -4.273  38.084 -15.983
  122   2H5*    C  12          2H5*        C  12  -2.569  37.658 -15.709
  123    H4*    C  12           H4*        C  12  -4.581  37.914 -13.787
  124    H3*    C  12           H3*        C  12  -1.747  37.362 -13.736
  125    H2*    C  12           H2*        C  12  -2.008  35.099 -13.169
  126   2HO*    C  12          2HO*        C  12  -2.020  34.801 -10.981
  127    H1*    C  12           H1*        C  12  -4.713  35.700 -11.922
  128   1H4     C  12          1H4         C  12  -4.150  29.185 -12.849
  129   2H4     C  12          2H4         C  12  -5.765  29.449 -13.463
  130    H5     C  12           H5         C  12  -6.713  31.683 -13.783
  131    H6     C  12           H6         C  12  -6.301  34.054 -13.578
  132   1H5*    U  13          1H5*        U  13  -4.394  41.145 -10.037
  133   2H5*    U  13          2H5*        U  13  -3.630  39.536 -10.042
  134    H4*    U  13           H4*        U  13  -6.163  39.999 -11.590
  135    H3*    U  13           H3*        U  13  -6.142  40.329  -8.716
  136    H2*    U  13           H2*        U  13  -5.906  37.975  -8.405
  137   2HO*    U  13          2HO*        U  13  -8.048  38.557  -7.649
  138    H1*    U  13           H1*        U  13  -7.478  37.780 -10.993
  139    H3     U  13           H3         U  13  -7.642  33.358 -11.639
  140    H5     U  13           H5         U  13  -4.695  33.714  -8.680
  141    H6     U  13           H6         U  13  -4.919  36.125  -8.820
  142   1H5*    C  14          1H5*        C  14 -11.774  40.721  -8.784
  143   2H5*    C  14          2H5*        C  14 -12.053  38.962  -8.888
  144    H4*    C  14           H4*        C  14 -11.446  40.942 -11.019
  145    H3*    C  14           H3*        C  14 -13.402  38.765 -10.653
  146    H2*    C  14           H2*        C  14 -12.939  37.474 -12.506
  147   2HO*    C  14          2HO*        C  14 -11.893  39.871 -13.633
  148    H1*    C  14           H1*        C  14 -10.285  37.992 -13.015
  149   1H4     C  14          1H4         C  14 -10.588  32.634  -9.336
  150   2H4     C  14          2H4         C  14  -9.424  33.466  -8.335
  151    H5     C  14           H5         C  14  -8.804  35.882  -8.697
  152    H6     C  14           H6         C  14  -9.302  37.800 -10.040
  153   1H5*    A  15          1H5*        A  15 -14.868  40.191 -14.861
  154   2H5*    A  15          2H5*        A  15 -16.362  39.224 -15.011
  155    H4*    A  15           H4*        A  15 -13.800  38.656 -16.087
  156    H3*    A  15           H3*        A  15 -16.204  36.840 -15.799
  157    H2*    A  15           H2*        A  15 -14.827  35.149 -16.830
  158   2HO*    A  15          2HO*        A  15 -12.893  35.701 -17.861
  159    H1*    A  15           H1*        A  15 -12.513  36.083 -15.429
  160    H8     A  15           H8         A  15 -15.342  35.817 -13.028
  161   1H6     A  15          1H6         A  15 -14.113  29.758 -12.631
  162   2H6     A  15          2H6         A  15 -15.027  31.082 -11.942
  163    H2     A  15           H2         A  15 -11.752  31.495 -16.032
  164   1H5*    C  16          1H5*        C  16 -14.810  36.657 -19.858
  165   2H5*    C  16          2H5*        C  16 -16.184  36.542 -20.993
  166    H4*    C  16           H4*        C  16 -14.525  34.773 -21.404
  167    H3*    C  16           H3*        C  16 -17.128  33.777 -20.221
  168    H2*    C  16           H2*        C  16 -16.326  31.551 -20.583
  169   2HO*    C  16          2HO*        C  16 -14.339  31.234 -21.717
  170    H1*    C  16           H1*        C  16 -13.778  32.137 -19.656
  171   1H4     C  16          1H4         C  16 -16.694  29.930 -14.463
  172   2H4     C  16          2H4         C  16 -17.807  31.275 -14.438
  173    H5     C  16           H5         C  16 -17.829  33.016 -16.165
  174    H6     C  16           H6         C  16 -16.753  33.785 -18.201
  175   1H5*    G  17          1H5*        G  17 -16.709  31.489 -23.699
  176   2H5*    G  17          2H5*        G  17 -18.301  31.135 -24.416
  177    H4*    G  17           H4*        G  17 -16.907  29.125 -23.722
  178    H3*    G  17           H3*        G  17 -19.636  29.495 -22.463
  179    H2*    G  17           H2*        G  17 -19.354  27.321 -21.492
  180   2HO*    G  17          2HO*        G  17 -17.559  26.023 -22.101
  181    H1*    G  17           H1*        G  17 -16.700  27.787 -20.811
  182    H8     G  17           H8         G  17 -18.596  30.966 -20.074
  183    H1     G  17           H1         G  17 -19.592  26.402 -15.713
  184   1H2     G  17          1H2         G  17 -18.818  24.458 -16.438
  185   2H2     G  17          2H2         G  17 -18.037  24.294 -17.994
  186   1H5*    G  18          1H5*        G  18 -19.830  25.517 -24.154
  187   2H5*    G  18          2H5*        G  18 -21.327  25.488 -25.125
  188    H4*    G  18           H4*        G  18 -21.263  23.543 -23.677
  189    H3*    G  18           H3*        G  18 -23.219  25.635 -22.687
  190    H2*    G  18           H2*        G  18 -23.928  24.055 -21.047
  191   2HO*    G  18          2HO*        G  18 -23.228  21.883 -21.149
  192    H1*    G  18           H1*        G  18 -21.344  23.164 -20.509
  193    H8     G  18           H8         G  18 -21.416  26.954 -20.892
  194    H1     G  18           H1         G  18 -23.291  24.929 -15.115
  195   1H2     G  18          1H2         G  18 -23.556  22.736 -15.118
  196   2H2     G  18          2H2         G  18 -23.277  21.766 -16.548
  197   1H5*    G  19          1H5*        G  19 -25.506  22.090 -22.973
  198   2H5*    G  19          2H5*        G  19 -27.187  22.478 -23.428
  199    H4*    G  19           H4*        G  19 -26.775  21.279 -21.172
  200    H3*    G  19           H3*        G  19 -28.364  23.860 -21.285
  201    H2*    G  19           H2*        G  19 -28.859  23.539 -18.972
  202   2HO*    G  19          2HO*        G  19 -28.695  21.583 -18.006
  203    H1*    G  19           H1*        G  19 -26.281  22.582 -18.376
  204    H8     G  19           H8         G  19 -25.788  25.629 -20.511
  205    H1     G  19           H1         G  19 -27.536  27.107 -14.542
  206   1H2     G  19          1H2         G  19 -28.241  25.309 -13.480
  207   2H2     G  19          2H2         G  19 -28.286  23.733 -14.238
  208   1H5*    U  20          1H5*        U  20 -33.099  23.715 -22.209
  209   2H5*    U  20          2H5*        U  20 -32.066  25.135 -21.900
  210    H4*    U  20           H4*        U  20 -33.924  25.379 -20.459
  211    H3*    U  20           H3*        U  20 -31.600  24.182 -18.935
  212    H2*    U  20           H2*        U  20 -32.920  24.121 -16.982
  213   2HO*    U  20          2HO*        U  20 -34.897  25.312 -16.865
  214    H1*    U  20           H1*        U  20 -35.350  23.605 -18.282
  215    H3     U  20           H3         U  20 -35.003  19.889 -15.753
  216    H5     U  20           H5         U  20 -31.710  19.586 -18.360
  217    H6     U  20           H6         U  20 -32.274  21.777 -19.225
  218   1H5*    G  21          1H5*        G  21 -33.056  26.976 -16.092
  219   2H5*    G  21          2H5*        G  21 -31.614  27.577 -15.236
  220    H4*    G  21           H4*        G  21 -33.346  26.193 -13.899
  221    H3*    G  21           H3*        G  21 -30.396  25.587 -13.902
  222    H2*    G  21           H2*        G  21 -30.735  23.741 -12.449
  223   2HO*    G  21          2HO*        G  21 -32.273  23.862 -10.983
  224    H1*    G  21           H1*        G  21 -33.105  22.896 -13.604
  225    H8     G  21           H8         G  21 -30.533  23.883 -16.253
  226    H1     G  21           H1         G  21 -29.901  17.893 -14.114
  227   1H2     G  21          1H2         G  21 -31.224  17.553 -12.373
  228   2H2     G  21          2H2         G  21 -32.256  18.808 -11.730
  229   1H5*    A  22          1H5*        A  22 -31.830  25.600  -9.802
  230   2H5*    A  22          2H5*        A  22 -30.609  26.355  -8.739
  231    H4*    A  22           H4*        A  22 -31.269  24.099  -7.955
  232    H3*    A  22           H3*        A  22 -28.435  24.440  -8.948
  233    H2*    A  22           H2*        A  22 -27.962  22.167  -8.387
  234   2HO*    A  22          2HO*        A  22 -29.453  20.942  -7.172
  235    H1*    A  22           H1*        A  22 -30.345  21.181  -9.337
  236    H8     A  22           H8         A  22 -28.607  23.993 -11.367
  237   1H6     A  22          1H6         A  22 -26.132  19.418 -14.692
  238   2H6     A  22          2H6         A  22 -26.305  21.153 -14.540
  239    H2     A  22           H2         A  22 -28.410  17.613 -11.290
  240   1H5*    C  23          1H5*        C  23 -24.600  23.696  -6.437
  241   2H5*    C  23          2H5*        C  23 -25.125  24.735  -7.787
  242    H4*    C  23           H4*        C  23 -25.091  21.707  -7.816
  243    H3*    C  23           H3*        C  23 -23.155  23.728  -8.945
  244    H2*    C  23           H2*        C  23 -22.816  22.337 -10.857
  245   2HO*    C  23          2HO*        C  23 -24.429  20.431  -9.456
  246    H1*    C  23           H1*        C  23 -25.432  21.857 -11.289
  247   1H4     C  23          1H4         C  23 -24.039  27.288 -14.381
  248   2H4     C  23          2H4         C  23 -24.674  28.200 -13.029
  249    H5     C  23           H5         C  23 -25.369  27.148 -10.923
  250    H6     C  23           H6         C  23 -25.588  25.049  -9.753
  251   1H5*    C  24          1H5*        C  24 -21.326  20.027  -9.531
  252   2H5*    C  24          2H5*        C  24 -19.601  20.073  -9.080
  253    H4*    C  24           H4*        C  24 -20.011  19.253 -11.405
  254    H3*    C  24           H3*        C  24 -18.480  21.847 -11.106
  255    H2*    C  24           H2*        C  24 -18.116  21.822 -13.474
  256   2HO*    C  24          2HO*        C  24 -18.788  19.995 -14.709
  257    H1*    C  24           H1*        C  24 -20.711  21.109 -14.070
  258   1H4     C  24          1H4         C  24 -20.402  27.512 -14.221
  259   2H4     C  24          2H4         C  24 -21.083  27.545 -12.613
  260    H5     C  24           H5         C  24 -21.455  25.519 -11.275
  261    H6     C  24           H6         C  24 -21.217  23.126 -11.248
  262   1H5*    G  25          1H5*        G  25 -16.026  19.300 -13.508
  263   2H5*    G  25          2H5*        G  25 -14.295  19.607 -13.191
  264    H4*    G  25           H4*        G  25 -15.138  19.937 -15.596
  265    H3*    G  25           H3*        G  25 -13.705  22.185 -14.157
  266    H2*    G  25           H2*        G  25 -13.732  23.388 -16.236
  267   2HO*    G  25          2HO*        G  25 -14.664  22.338 -18.104
  268    H1*    G  25           H1*        G  25 -16.369  22.845 -16.708
  269    H8     G  25           H8         G  25 -16.192  23.212 -12.978
  270    H1     G  25           H1         G  25 -15.735  28.834 -15.978
  271   1H2     G  25          1H2         G  25 -15.375  28.544 -18.132
  272   2H2     G  25          2H2         G  25 -15.269  26.949 -18.850
  273   1H5*    U  26          1H5*        U  26 -11.871  22.278 -17.563
  274   2H5*    U  26          2H5*        U  26 -10.100  22.422 -17.420
  275    H4*    U  26           H4*        U  26 -11.296  24.290 -18.681
  276    H3*    U  26           H3*        U  26  -9.627  24.980 -16.252
  277    H2*    U  26           H2*        U  26  -9.992  27.285 -16.761
  278   2HO*    U  26          2HO*        U  26 -11.145  26.380 -19.223
  279    H1*    U  26           H1*        U  26 -12.650  26.883 -17.559
  280    H3     U  26           H3         U  26 -12.147  29.591 -13.783
  281    H5     U  26           H5         U  26 -12.933  25.672 -12.449
  282    H6     U  26           H6         U  26 -12.579  24.894 -14.712
  283   1H5*    G  27          1H5*        G  27  -8.611  27.423 -19.585
  284   2H5*    G  27          2H5*        G  27  -6.842  27.508 -19.751
  285    H4*    G  27           H4*        G  27  -8.188  29.710 -19.773
  286    H3*    G  27           H3*        G  27  -5.586  29.148 -18.666
  287    H2*    G  27           H2*        G  27  -6.165  29.771 -16.484
  288   2HO*    G  27          2HO*        G  27  -6.141  32.091 -16.170
  289    H1*    G  27           H1*        G  27  -8.390  31.545 -17.524
  290    H8     G  27           H8         G  27  -8.082  28.513 -15.091
  291    H1     G  27           H1         G  27 -10.687  33.779 -12.539
  292   1H2     G  27          1H2         G  27 -10.679  35.433 -14.003
  293   2H2     G  27          2H2         G  27 -10.028  35.255 -15.618
  294   1H5*    G  28          1H5*        G  28  -3.473  31.368 -21.955
  295   2H5*    G  28          2H5*        G  28  -3.856  32.536 -20.664
  296    H4*    G  28           H4*        G  28  -4.457  33.398 -23.436
  297    H3*    G  28           H3*        G  28  -1.634  32.885 -22.505
  298    H2*    G  28           H2*        G  28  -0.895  34.984 -23.361
  299   2HO*    G  28          2HO*        G  28  -2.350  36.285 -24.605
  300    H1*    G  28           H1*        G  28  -2.977  36.439 -22.414
  301    H8     G  28           H8         G  28  -2.451  33.750 -19.798
  302    H1     G  28           H1         G  28   1.885  38.445 -19.460
  303   1H2     G  28          1H2         G  28   1.773  39.742 -21.243
  304   2H2     G  28          2H2         G  28   0.621  39.458 -22.530
  305   1H5*    U  29          1H5*        U  29  -0.822  34.426 -26.121
  306   2H5*    U  29          2H5*        U  29   0.053  33.235 -27.120
  307    H4*    U  29           H4*        U  29   1.292  35.295 -27.155
  308    H3*    U  29           H3*        U  29   2.557  33.258 -25.306
  309    H2*    U  29           H2*        U  29   4.367  34.770 -24.975
  310   2HO*    U  29          2HO*        U  29   4.425  36.747 -26.212
  311    H1*    U  29           H1*        U  29   2.756  36.988 -24.715
  312    H3     U  29           H3         U  29   4.354  36.185 -20.536
  313    H5     U  29           H5         U  29   1.297  33.335 -21.051
  314    H6     U  29           H6         U  29   1.126  34.031 -23.359
  315   1H5*    C  30          1H5*        C  30   5.640  34.600 -28.176
  316   2H5*    C  30          2H5*        C  30   6.841  33.293 -28.367
  317    H4*    C  30           H4*        C  30   7.723  35.539 -27.540
  318    H3*    C  30           H3*        C  30   8.142  33.086 -25.813
  319    H2*    C  30           H2*        C  30   9.551  34.450 -24.427
  320   2HO*    C  30          2HO*        C  30  10.034  36.614 -25.088
  321    H1*    C  30           H1*        C  30   7.792  36.611 -24.496
  322   1H4     C  30          1H4         C  30   6.341  33.364 -19.184
  323   2H4     C  30          2H4         C  30   5.314  32.294 -20.105
  324    H5     C  30           H5         C  30   5.156  32.377 -22.547
  325    H6     C  30           H6         C  30   5.943  33.504 -24.526
  326   1H5*    C  31          1H5*        C  31  12.021  34.556 -26.402
  327   2H5*    C  31          2H5*        C  31  13.211  33.227 -26.366
  328    H4*    C  31           H4*        C  31  13.345  35.062 -24.543
  329    H3*    C  31           H3*        C  31  13.207  32.137 -23.769
  330    H2*    C  31           H2*        C  31  13.656  32.853 -21.523
  331   2HO*    C  31          2HO*        C  31  14.190  35.070 -21.126
  332    H1*    C  31           H1*        C  31  11.950  35.080 -21.750
  333   1H4     C  31          1H4         C  31   8.714  30.437 -18.735
  334   2H4     C  31          2H4         C  31   8.059  29.925 -20.273
  335    H5     C  31           H5         C  31   8.794  30.865 -22.424
  336    H6     C  31           H6         C  31  10.281  32.462 -23.464
  337   1H5*    U  32          1H5*        U  32  16.518  33.180 -21.662
  338   2H5*    U  32          2H5*        U  32  17.856  32.110 -22.161
  339    H4*    U  32           H4*        U  32  17.675  32.101 -19.745
  340    H3*    U  32           H3*        U  32  16.557  29.551 -20.940
  341    H2*    U  32           H2*        U  32  16.413  28.720 -18.699
  342   2HO*    U  32          2HO*        U  32  17.358  29.896 -16.977
  343    H1*    U  32           H1*        U  32  15.499  31.170 -17.690
  344    H3     U  32           H3         U  32  12.197  27.993 -17.307
  345    H5     U  32           H5         U  32  11.833  29.537 -21.207
  346    H6     U  32           H6         U  32  13.917  30.717 -20.864
  347   1H5*    C  33          1H5*        C  33  20.001  28.785 -18.215
  348   2H5*    C  33          2H5*        C  33  20.697  27.172 -18.528
  349    H4*    C  33           H4*        C  33  19.780  27.780 -16.142
  350    H3*    C  33           H3*        C  33  19.038  25.198 -17.538
  351    H2*    C  33           H2*        C  33  17.939  24.566 -15.517
  352   2HO*    C  33          2HO*        C  33  18.310  25.760 -13.582
  353    H1*    C  33           H1*        C  33  17.100  27.213 -14.952
  354   1H4     C  33          1H4         C  33  12.066  23.738 -16.829
  355   2H4     C  33          2H4         C  33  12.329  24.277 -18.468
  356    H5     C  33           H5         C  33  14.258  25.571 -19.141
  357    H6     C  33           H6         C  33  16.326  26.623 -18.370
  358   1H5*    C  34          1H5*        C  34  20.415  24.059 -13.709
  359   2H5*    C  34          2H5*        C  34  21.370  22.560 -13.856
  360    H4*    C  34           H4*        C  34  19.348  22.502 -12.279
  361    H3*    C  34           H3*        C  34  19.501  20.506 -14.551
  362    H2*    C  34           H2*        C  34  17.586  19.446 -13.599
  363   2HO*    C  34          2HO*        C  34  16.878  19.999 -11.498
  364    H1*    C  34           H1*        C  34  16.394  21.892 -12.852
  365   1H4     C  34          1H4         C  34  13.453  19.752 -18.119
  366   2H4     C  34          2H4         C  34  14.570  20.673 -19.103
  367    H5     C  34           H5         C  34  16.513  21.860 -18.159
  368    H6     C  34           H6         C  34  17.688  22.382 -16.123
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   4.068  15.450 -17.180
    2   2H5*    G   1          2H5*        G   1   5.327  15.858 -18.344
    3    H4*    G   1           H4*        G   1   5.701  14.103 -15.907
    4    H3*    G   1           H3*        G   1   6.426  17.000 -16.395
    5    H2*    G   1           H2*        G   1   8.399  16.692 -15.063
    6   2HO*    G   1          2HO*        G   1   8.699  14.834 -13.848
    7    H1*    G   1           H1*        G   1   9.089  14.328 -16.235
    8    H8     G   1           H8         G   1   7.663  16.106 -19.157
    9    H1     G   1           H1         G   1  13.268  18.637 -17.396
   10   1H2     G   1          1H2         G   1  13.866  17.892 -15.403
   11   2H2     G   1          2H2         G   1  12.877  16.769 -14.493
   12   1H5*    G   2          1H5*        G   2   7.103  16.591 -12.265
   13   2H5*    G   2          2H5*        G   2   5.967  17.693 -11.440
   14    H4*    G   2           H4*        G   2   8.098  18.003 -10.414
   15    H3*    G   2           H3*        G   2   7.572  20.216 -12.418
   16    H2*    G   2           H2*        G   2   9.595  21.267 -11.640
   17   2HO*    G   2          2HO*        G   2  10.799  20.233  -9.956
   18    H1*    G   2           H1*        G   2  11.054  19.020 -11.918
   19    H8     G   2           H8         G   2   8.312  18.801 -14.543
   20    H1     G   2           H1         G   2  13.128  22.676 -16.178
   21   1H2     G   2          1H2         G   2  14.452  23.027 -14.439
   22   2H2     G   2          2H2         G   2  14.151  22.298 -12.880
   23   1H5*    A   3          1H5*        A   3   7.879  22.677  -8.429
   24   2H5*    A   3          2H5*        A   3   7.244  24.256  -8.970
   25    H4*    A   3           H4*        A   3   9.746  23.991  -8.171
   26    H3*    A   3           H3*        A   3   8.951  25.569 -10.650
   27    H2*    A   3           H2*        A   3  11.337  26.224 -10.758
   28   2HO*    A   3          2HO*        A   3  12.731  25.409  -9.161
   29    H1*    A   3           H1*        A   3  12.142  23.699 -10.678
   30    H8     A   3           H8         A   3   8.932  22.863 -12.237
   31   1H6     A   3          1H6         A   3  10.806  25.453 -17.514
   32   2H6     A   3          2H6         A   3   9.613  24.420 -16.761
   33    H2     A   3           H2         A   3  13.635  26.712 -14.281
   34   1H5*    G   4          1H5*        G   4  11.198  28.377  -8.435
   35   2H5*    G   4          2H5*        G   4  10.472  30.005  -8.542
   36    H4*    G   4           H4*        G   4  12.894  29.734  -9.351
   37    H3*    G   4           H3*        G   4  10.765  30.914 -11.150
   38    H2*    G   4           H2*        G   4  12.473  31.348 -12.787
   39   2HO*    G   4          2HO*        G   4  14.672  30.787 -12.261
   40    H1*    G   4           H1*        G   4  13.510  28.837 -12.621
   41    H8     G   4           H8         G   4  10.142  27.690 -12.085
   42    H1     G   4           H1         G   4  10.557  30.450 -17.836
   43   1H2     G   4          1H2         G   4  12.399  31.666 -17.983
   44   2H2     G   4          2H2         G   4  13.536  31.787 -16.658
   45   1H5*    G   5          1H5*        G   5  13.760  33.705 -11.685
   46   2H5*    G   5          2H5*        G   5  13.170  35.235 -10.985
   47    H4*    G   5           H4*        G   5  14.215  35.625 -13.164
   48    H3*    G   5           H3*        G   5  11.198  35.905 -13.240
   49    H2*    G   5           H2*        G   5  11.462  36.769 -15.460
   50   2HO*    G   5          2HO*        G   5  13.615  37.101 -16.279
   51    H1*    G   5           H1*        G   5  13.338  34.837 -16.149
   52    H8     G   5           H8         G   5  10.866  32.873 -14.188
   53    H1     G   5           H1         G   5   8.477  34.622 -19.851
   54   1H2     G   5          1H2         G   5   9.760  36.145 -20.806
   55   2H2     G   5          2H2         G   5  11.210  36.757 -20.037
   56   1H5*    A   6          1H5*        A   6  12.325  39.491 -14.961
   57   2H5*    A   6          2H5*        A   6  11.651  40.788 -13.939
   58    H4*    A   6           H4*        A   6  11.081  41.336 -16.185
   59    H3*    A   6           H3*        A   6   8.696  39.985 -14.890
   60    H2*    A   6           H2*        A   6   7.461  40.589 -16.860
   61   2HO*    A   6          2HO*        A   6   8.444  41.895 -18.459
   62    H1*    A   6           H1*        A   6   9.475  39.784 -18.551
   63    H8     A   6           H8         A   6   9.345  37.358 -15.627
   64   1H6     A   6          1H6         A   6   4.707  34.541 -18.628
   65   2H6     A   6          2H6         A   6   5.822  34.437 -17.282
   66    H2     A   6           H2         A   6   5.627  38.398 -20.729
   67   1H5*    C   7          1H5*        C   7   7.531  43.770 -16.627
   68   2H5*    C   7          2H5*        C   7   6.260  44.509 -15.624
   69    H4*    C   7           H4*        C   7   5.743  44.241 -18.102
   70    H3*    C   7           H3*        C   7   3.884  43.033 -16.029
   71    H2*    C   7           H2*        C   7   2.472  42.288 -17.754
   72   2HO*    C   7          2HO*        C   7   2.639  43.128 -19.865
   73    H1*    C   7           H1*        C   7   4.505  41.749 -19.597
   74   1H4     C   7          1H4         C   7   2.462  36.168 -17.197
   75   2H4     C   7          2H4         C   7   3.647  36.291 -15.917
   76    H5     C   7           H5         C   7   5.043  38.276 -15.586
   77    H6     C   7           H6         C   7   5.556  40.482 -16.423
   78   1H5*    A   8          1H5*        A   8   1.367  45.457 -18.856
   79   2H5*    A   8          2H5*        A   8   0.013  46.058 -17.860
   80    H4*    A   8           H4*        A   8  -0.552  44.642 -19.939
   81    H3*    A   8           H3*        A   8  -1.637  43.904 -17.222
   82    H2*    A   8           H2*        A   8  -2.907  42.188 -18.290
   83   2HO*    A   8          2HO*        A   8  -3.036  42.089 -20.569
   84    H1*    A   8           H1*        A   8  -0.873  41.455 -20.014
   85    H8     A   8           H8         A   8   0.676  42.094 -16.698
   86   1H6     A   8          1H6         A   8  -1.123  36.398 -15.036
   87   2H6     A   8          2H6         A   8  -0.128  37.766 -14.596
   88    H2     A   8           H2         A   8  -3.155  37.480 -18.891
   89   1H5*    U   9          1H5*        U   9  -4.650  44.177 -20.432
   90   2H5*    U   9          2H5*        U   9  -6.287  44.414 -19.769
   91    H4*    U   9           H4*        U   9  -5.442  42.184 -21.144
   92    H3*    U   9           H3*        U   9  -7.747  42.818 -19.440
   93    H2*    U   9           H2*        U   9  -7.549  40.908 -18.122
   94   2HO*    U   9          2HO*        U   9  -7.800  39.536 -20.584
   95    H1*    U   9           H1*        U   9  -5.563  39.661 -20.001
   96    H3     U   9           H3         U   9  -5.592  36.788 -16.307
   97    H5     U   9           H5         U   9  -3.244  40.148 -15.343
   98    H6     U   9           H6         U   9  -4.089  41.218 -17.316
   99   1H5*    C  10          1H5*        C  10  -9.435  41.440 -18.939
  100   2H5*    C  10          2H5*        C  10 -11.136  41.827 -19.251
  101    H4*    C  10           H4*        C  10 -11.166  43.560 -17.734
  102    H3*    C  10           H3*        C  10  -8.748  44.500 -18.604
  103    H2*    C  10           H2*        C  10  -7.541  42.672 -17.544
  104   2HO*    C  10          2HO*        C  10  -6.851  44.896 -16.776
  105    H1*    C  10           H1*        C  10  -9.185  43.254 -15.106
  106   1H4     C  10          1H4         C  10  -5.928  38.334 -12.735
  107   2H4     C  10          2H4         C  10  -6.539  37.288 -13.994
  108    H5     C  10           H5         C  10  -7.908  38.111 -15.852
  109    H6     C  10           H6         C  10  -8.949  40.061 -16.811
  110   1H5*    C  11          1H5*        C  11  -8.776  48.097 -14.160
  111   2H5*    C  11          2H5*        C  11  -8.166  46.953 -12.935
  112    H4*    C  11           H4*        C  11 -10.733  47.616 -12.946
  113    H3*    C  11           H3*        C  11  -9.838  44.723 -12.660
  114    H2*    C  11           H2*        C  11 -12.104  44.188 -12.656
  115   2HO*    C  11          2HO*        C  11 -12.489  46.706 -11.429
  116    H1*    C  11           H1*        C  11 -12.942  46.718 -13.945
  117   1H4     C  11          1H4         C  11 -13.614  41.334 -17.833
  118   2H4     C  11          2H4         C  11 -14.866  42.440 -18.343
  119    H5     C  11           H5         C  11 -15.148  44.654 -17.353
  120    H6     C  11           H6         C  11 -14.309  46.191 -15.706
  121   1H5*    C  12          1H5*        C  12 -11.943  43.447 -10.592
  122   2H5*    C  12          2H5*        C  12 -13.241  44.344  -9.750
  123    H4*    C  12           H4*        C  12 -13.460  42.449  -8.558
  124    H3*    C  12           H3*        C  12 -11.856  44.065  -6.987
  125    H2*    C  12           H2*        C  12  -9.904  43.120  -8.014
  126   2HO*    C  12          2HO*        C  12  -9.220  41.456  -6.234
  127    H1*    C  12           H1*        C  12 -11.300  40.482  -7.451
  128   1H4     C  12          1H4         C  12  -5.688  38.198  -9.730
  129   2H4     C  12          2H4         C  12  -6.315  38.484 -11.337
  130    H5     C  12           H5         C  12  -8.422  39.666 -11.750
  131    H6     C  12           H6         C  12 -10.287  40.786 -10.708
  132   1H5*    U  13          1H5*        U  13 -16.211  40.367  -6.417
  133   2H5*    U  13          2H5*        U  13 -14.945  40.278  -5.159
  134    H4*    U  13           H4*        U  13 -13.791  41.041  -7.636
  135    H3*    U  13           H3*        U  13 -15.876  39.114  -8.093
  136    H2*    U  13           H2*        U  13 -14.583  37.265  -7.612
  137   2HO*    U  13          2HO*        U  13 -13.158  38.128  -9.898
  138    H1*    U  13           H1*        U  13 -11.998  38.791  -8.017
  139    H3     U  13           H3         U  13  -9.848  36.753  -4.357
  140    H5     U  13           H5         U  13 -12.715  34.089  -5.910
  141    H6     U  13           H6         U  13 -13.581  35.898  -7.210
  142   1H5*    C  14          1H5*        C  14 -13.618  41.374 -11.345
  143   2H5*    C  14          2H5*        C  14 -14.688  41.936 -12.659
  144    H4*    C  14           H4*        C  14 -12.674  41.556 -13.759
  145    H3*    C  14           H3*        C  14 -14.132  38.907 -13.909
  146    H2*    C  14           H2*        C  14 -12.375  38.207 -15.393
  147   2HO*    C  14          2HO*        C  14 -11.613  40.962 -15.262
  148    H1*    C  14           H1*        C  14 -10.411  39.240 -13.735
  149   1H4     C  14          1H4         C  14 -11.151  33.144 -11.984
  150   2H4     C  14          2H4         C  14 -12.557  33.549 -11.032
  151    H5     C  14           H5         C  14 -13.537  35.824 -10.981
  152    H6     C  14           H6         C  14 -13.317  38.063 -11.833
  153   1H5*    A  15          1H5*        A  15 -13.672  39.865 -18.167
  154   2H5*    A  15          2H5*        A  15 -15.043  39.104 -19.015
  155    H4*    A  15           H4*        A  15 -12.629  38.359 -19.608
  156    H3*    A  15           H3*        A  15 -14.745  36.329 -18.857
  157    H2*    A  15           H2*        A  15 -13.165  34.627 -19.471
  158   2HO*    A  15          2HO*        A  15 -11.237  35.186 -20.552
  159    H1*    A  15           H1*        A  15 -11.017  36.014 -18.293
  160    H8     A  15           H8         A  15 -13.646  36.396 -15.767
  161   1H6     A  15          1H6         A  15 -12.847  30.479 -14.145
  162   2H6     A  15          2H6         A  15 -13.585  32.001 -13.704
  163    H2     A  15           H2         A  15 -10.693  31.194 -18.014
  164   1H5*    C  16          1H5*        C  16 -13.633  35.187 -22.813
  165   2H5*    C  16          2H5*        C  16 -15.095  34.842 -23.778
  166    H4*    C  16           H4*        C  16 -13.449  32.987 -23.826
  167    H3*    C  16           H3*        C  16 -16.067  32.406 -22.425
  168    H2*    C  16           H2*        C  16 -15.364  30.131 -22.213
  169   2HO*    C  16          2HO*        C  16 -13.446  29.425 -23.265
  170    H1*    C  16           H1*        C  16 -12.765  30.808 -21.506
  171   1H4     C  16          1H4         C  16 -15.565  30.085 -15.853
  172   2H4     C  16          2H4         C  16 -16.622  31.452 -16.134
  173    H5     C  16           H5         C  16 -16.631  32.712 -18.233
  174    H6     C  16           H6         C  16 -15.631  32.895 -20.423
  175   1H5*    G  17          1H5*        G  17 -15.869  29.420 -25.494
  176   2H5*    G  17          2H5*        G  17 -17.509  29.061 -26.094
  177    H4*    G  17           H4*        G  17 -16.278  27.079 -25.171
  178    H3*    G  17           H3*        G  17 -18.804  27.924 -23.730
  179    H2*    G  17           H2*        G  17 -18.602  25.922 -22.422
  180   2HO*    G  17          2HO*        G  17 -16.963  24.385 -22.955
  181    H1*    G  17           H1*        G  17 -15.872  26.234 -22.065
  182    H8     G  17           H8         G  17 -17.454  29.667 -21.827
  183    H1     G  17           H1         G  17 -18.243  26.168 -16.544
  184   1H2     G  17          1H2         G  17 -17.674  24.061 -16.912
  185   2H2     G  17          2H2         G  17 -17.078  23.522 -18.465
  186   1H5*    G  18          1H5*        G  18 -19.406  23.820 -24.663
  187   2H5*    G  18          2H5*        G  18 -20.999  23.667 -25.451
  188    H4*    G  18           H4*        G  18 -20.836  22.022 -23.689
  189    H3*    G  18           H3*        G  18 -22.575  24.358 -22.858
  190    H2*    G  18           H2*        G  18 -23.142  23.091 -20.907
  191   2HO*    G  18          2HO*        G  18 -22.322  20.917 -20.711
  192    H1*    G  18           H1*        G  18 -20.535  22.294 -20.461
  193    H8     G  18           H8         G  18 -20.748  25.906 -21.737
  194    H1     G  18           H1         G  18 -21.663  25.324 -15.431
  195   1H2     G  18          1H2         G  18 -21.850  23.196 -14.868
  196   2H2     G  18          2H2         G  18 -21.737  21.907 -16.048
  197   1H5*    G  19          1H5*        G  19 -24.862  21.037 -22.118
  198   2H5*    G  19          2H5*        G  19 -26.575  21.298 -22.542
  199    H4*    G  19           H4*        G  19 -26.153  20.612 -20.147
  200    H3*    G  19           H3*        G  19 -27.432  23.318 -20.615
  201    H2*    G  19           H2*        G  19 -27.799  23.411 -18.244
  202   2HO*    G  19          2HO*        G  19 -27.458  21.595 -16.947
  203    H1*    G  19           H1*        G  19 -25.256  22.402 -17.666
  204    H8     G  19           H8         G  19 -24.780  24.860 -20.479
  205    H1     G  19           H1         G  19 -25.783  27.733 -14.851
  206   1H2     G  19          1H2         G  19 -26.484  26.272 -13.358
  207   2H2     G  19          2H2         G  19 -26.703  24.578 -13.739
  208   1H5*    U  20          1H5*        U  20 -31.676  24.283 -20.678
  209   2H5*    U  20          2H5*        U  20 -30.623  25.139 -19.519
  210    H4*    U  20           H4*        U  20 -32.917  25.067 -18.705
  211    H3*    U  20           H3*        U  20 -30.997  23.289 -17.200
  212    H2*    U  20           H2*        U  20 -32.732  22.606 -15.745
  213   2HO*    U  20          2HO*        U  20 -33.995  25.005 -16.626
  214    H1*    U  20           H1*        U  20 -34.786  22.846 -17.703
  215    H3     U  20           H3         U  20 -34.698  18.586 -15.867
  216    H5     U  20           H5         U  20 -31.904  18.574 -19.019
  217    H6     U  20           H6         U  20 -32.172  20.976 -19.176
  218   1H5*    G  21          1H5*        G  21 -30.430  28.553 -14.633
  219   2H5*    G  21          2H5*        G  21 -29.894  27.103 -15.524
  220    H4*    G  21           H4*        G  21 -31.698  27.105 -13.078
  221    H3*    G  21           H3*        G  21 -28.760  26.479 -13.384
  222    H2*    G  21           H2*        G  21 -28.965  24.794 -11.718
  223   2HO*    G  21          2HO*        G  21 -30.792  24.684 -10.380
  224    H1*    G  21           H1*        G  21 -31.509  23.962 -12.546
  225    H8     G  21           H8         G  21 -29.200  24.425 -15.519
  226    H1     G  21           H1         G  21 -28.516  18.778 -12.607
  227   1H2     G  21          1H2         G  21 -29.638  18.753 -10.702
  228   2H2     G  21          2H2         G  21 -30.551  20.134 -10.140
  229   1H5*    A  22          1H5*        A  22 -29.610  27.019  -9.299
  230   2H5*    A  22          2H5*        A  22 -28.297  27.790  -8.364
  231    H4*    A  22           H4*        A  22 -28.946  25.585  -7.431
  232    H3*    A  22           H3*        A  22 -26.199  25.793  -8.664
  233    H2*    A  22           H2*        A  22 -25.742  23.547  -7.997
  234   2HO*    A  22          2HO*        A  22 -26.683  23.634  -5.895
  235    H1*    A  22           H1*        A  22 -28.275  22.609  -8.656
  236    H8     A  22           H8         A  22 -26.575  25.105 -11.076
  237   1H6     A  22          1H6         A  22 -24.572  20.096 -14.089
  238   2H6     A  22          2H6         A  22 -24.651  21.843 -14.103
  239    H2     A  22           H2         A  22 -26.668  18.764 -10.364
  240   1H5*    C  23          1H5*        C  23 -22.344  26.192  -6.458
  241   2H5*    C  23          2H5*        C  23 -22.290  26.960  -8.068
  242    H4*    C  23           H4*        C  23 -22.806  24.077  -7.356
  243    H3*    C  23           H3*        C  23 -20.848  25.518  -9.135
  244    H2*    C  23           H2*        C  23 -20.829  23.699 -10.671
  245   2HO*    C  23          2HO*        C  23 -21.869  21.738 -10.166
  246    H1*    C  23           H1*        C  23 -23.492  23.338 -10.740
  247   1H4     C  23          1H4         C  23 -22.196  27.757 -15.184
  248   2H4     C  23          2H4         C  23 -22.594  29.012 -14.034
  249    H5     C  23           H5         C  23 -23.067  28.550 -11.673
  250    H6     C  23           H6         C  23 -23.264  26.811 -10.010
  251   1H5*    C  24          1H5*        C  24 -19.399  21.615  -8.844
  252   2H5*    C  24          2H5*        C  24 -17.621  21.553  -8.708
  253    H4*    C  24           H4*        C  24 -18.535  20.277 -10.659
  254    H3*    C  24           H3*        C  24 -16.762  22.652 -11.280
  255    H2*    C  24           H2*        C  24 -16.847  22.000 -13.589
  256   2HO*    C  24          2HO*        C  24 -17.956  20.044 -14.161
  257    H1*    C  24           H1*        C  24 -19.561  21.563 -13.559
  258   1H4     C  24          1H4         C  24 -18.713  27.663 -15.308
  259   2H4     C  24          2H4         C  24 -18.926  28.150 -13.644
  260    H5     C  24           H5         C  24 -19.121  26.551 -11.803
  261    H6     C  24           H6         C  24 -19.139  24.211 -11.232
  262   1H5*    G  25          1H5*        G  25 -14.813  19.579 -13.511
  263   2H5*    G  25          2H5*        G  25 -13.082  19.661 -13.085
  264    H4*    G  25           H4*        G  25 -13.469  19.732 -15.534
  265    H3*    G  25           H3*        G  25 -12.366  22.273 -14.311
  266    H2*    G  25           H2*        G  25 -12.104  23.116 -16.542
  267   2HO*    G  25          2HO*        G  25 -12.555  21.752 -18.332
  268    H1*    G  25           H1*        G  25 -14.599  22.300 -17.331
  269    H8     G  25           H8         G  25 -14.828  23.363 -13.701
  270    H1     G  25           H1         G  25 -14.801  28.297 -17.766
  271   1H2     G  25          1H2         G  25 -14.259  27.622 -19.795
  272   2H2     G  25          2H2         G  25 -13.920  25.944 -20.162
  273   1H5*    U  26          1H5*        U  26  -9.923  21.648 -17.451
  274   2H5*    U  26          2H5*        U  26  -8.211  21.949 -17.049
  275    H4*    U  26           H4*        U  26  -9.101  23.336 -18.948
  276    H3*    U  26           H3*        U  26  -8.197  24.825 -16.471
  277    H2*    U  26           H2*        U  26  -8.488  26.848 -17.717
  278   2HO*    U  26          2HO*        U  26  -8.871  26.783 -19.955
  279    H1*    U  26           H1*        U  26 -10.854  25.975 -18.908
  280    H3     U  26           H3         U  26 -11.873  29.463 -16.127
  281    H5     U  26           H5         U  26 -11.721  26.075 -13.633
  282    H6     U  26           H6         U  26 -10.824  24.817 -15.501
  283   1H5*    G  27          1H5*        G  27  -6.413  26.586 -19.698
  284   2H5*    G  27          2H5*        G  27  -4.688  26.930 -19.422
  285    H4*    G  27           H4*        G  27  -6.320  28.838 -20.161
  286    H3*    G  27           H3*        G  27  -3.976  28.887 -18.400
  287    H2*    G  27           H2*        G  27  -5.069  29.949 -16.654
  288   2HO*    G  27          2HO*        G  27  -5.437  32.216 -16.963
  289    H1*    G  27           H1*        G  27  -7.266  30.925 -18.500
  290    H8     G  27           H8         G  27  -7.610  28.347 -15.697
  291    H1     G  27           H1         G  27  -9.829  34.138 -14.138
  292   1H2     G  27          1H2         G  27  -9.283  35.619 -15.681
  293   2H2     G  27          2H2         G  27  -8.382  35.181 -17.118
  294   1H5*    G  28          1H5*        G  28  -5.224  31.866 -21.976
  295   2H5*    G  28          2H5*        G  28  -4.894  30.953 -23.474
  296    H4*    G  28           H4*        G  28  -4.625  33.102 -24.245
  297    H3*    G  28           H3*        G  28  -1.917  32.332 -23.140
  298    H2*    G  28           H2*        G  28  -1.069  34.492 -23.716
  299   2HO*    G  28          2HO*        G  28  -2.358  35.944 -24.929
  300    H1*    G  28           H1*        G  28  -3.234  35.865 -22.751
  301    H8     G  28           H8         G  28  -2.863  32.995 -20.366
  302    H1     G  28           H1         G  28   1.538  37.526 -19.416
  303   1H2     G  28          1H2         G  28   1.540  38.971 -21.082
  304   2H2     G  28          2H2         G  28   0.458  38.819 -22.451
  305   1H5*    U  29          1H5*        U  29  -0.739  34.223 -26.519
  306   2H5*    U  29          2H5*        U  29   0.138  33.065 -27.554
  307    H4*    U  29           H4*        U  29   1.472  35.058 -27.356
  308    H3*    U  29           H3*        U  29   2.532  32.851 -25.573
  309    H2*    U  29           H2*        U  29   4.395  34.255 -25.094
  310   2HO*    U  29          2HO*        U  29   3.359  35.956 -27.154
  311    H1*    U  29           H1*        U  29   2.850  36.548 -24.841
  312    H3     U  29           H3         U  29   4.306  35.659 -20.631
  313    H5     U  29           H5         U  29   1.246  32.841 -21.281
  314    H6     U  29           H6         U  29   1.146  33.577 -23.586
  315   1H5*    C  30          1H5*        C  30   5.993  33.687 -28.663
  316   2H5*    C  30          2H5*        C  30   7.019  32.239 -28.465
  317    H4*    C  30           H4*        C  30   8.018  34.594 -27.959
  318    H3*    C  30           H3*        C  30   8.260  32.306 -25.987
  319    H2*    C  30           H2*        C  30   9.712  33.726 -24.703
  320   2HO*    C  30          2HO*        C  30  10.321  35.784 -25.547
  321    H1*    C  30           H1*        C  30   8.059  35.938 -24.994
  322   1H4     C  30          1H4         C  30   6.366  33.090 -19.514
  323   2H4     C  30          2H4         C  30   5.243  32.074 -20.386
  324    H5     C  30           H5         C  30   5.084  32.064 -22.828
  325    H6     C  30           H6         C  30   5.973  33.014 -24.856
  326   1H5*    C  31          1H5*        C  31  12.287  33.430 -26.509
  327   2H5*    C  31          2H5*        C  31  13.336  32.012 -26.234
  328    H4*    C  31           H4*        C  31  13.410  34.076 -24.595
  329    H3*    C  31           H3*        C  31  13.239  31.217 -23.608
  330    H2*    C  31           H2*        C  31  13.536  32.100 -21.402
  331   2HO*    C  31          2HO*        C  31  14.086  34.332 -21.130
  332    H1*    C  31           H1*        C  31  11.907  34.358 -21.937
  333   1H4     C  31          1H4         C  31   8.552  29.898 -18.659
  334   2H4     C  31          2H4         C  31   7.686  29.585 -20.145
  335    H5     C  31           H5         C  31   8.330  30.562 -22.299
  336    H6     C  31           H6         C  31   9.907  32.012 -23.406
  337   1H5*    U  32          1H5*        U  32  16.356  32.634 -21.438
  338   2H5*    U  32          2H5*        U  32  17.805  31.661 -21.802
  339    H4*    U  32           H4*        U  32  17.506  31.950 -19.383
  340    H3*    U  32           H3*        U  32  16.953  29.135 -20.351
  341    H2*    U  32           H2*        U  32  16.799  28.490 -18.054
  342   2HO*    U  32          2HO*        U  32  17.775  31.126 -17.482
  343    H1*    U  32           H1*        U  32  15.404  30.804 -17.326
  344    H3     U  32           H3         U  32  12.953  26.841 -16.979
  345    H5     U  32           H5         U  32  11.989  28.595 -20.677
  346    H6     U  32           H6         U  32  13.843  30.134 -20.360
  347   1H5*    C  33          1H5*        C  33  19.371  28.436 -17.245
  348   2H5*    C  33          2H5*        C  33  20.848  27.620 -17.820
  349    H4*    C  33           H4*        C  33  20.056  26.409 -15.914
  350    H3*    C  33           H3*        C  33  19.241  24.977 -18.453
  351    H2*    C  33           H2*        C  33  18.430  23.209 -17.090
  352   2HO*    C  33          2HO*        C  33  19.780  24.529 -14.932
  353    H1*    C  33           H1*        C  33  17.495  24.917 -15.079
  354   1H4     C  33          1H4         C  33  12.096  23.727 -18.246
  355   2H4     C  33          2H4         C  33  12.938  23.662 -19.776
  356    H5     C  33           H5         C  33  15.354  24.065 -19.993
  357    H6     C  33           H6         C  33  17.360  24.610 -18.781
  358   1H5*    C  34          1H5*        C  34  21.504  22.449 -15.673
  359   2H5*    C  34          2H5*        C  34  22.278  21.082 -16.517
  360    H4*    C  34           H4*        C  34  20.580  20.628 -14.573
  361    H3*    C  34           H3*        C  34  20.429  19.205 -17.239
  362    H2*    C  34           H2*        C  34  18.670  17.877 -16.360
  363   2HO*    C  34          2HO*        C  34  19.541  17.384 -14.318
  364    H1*    C  34           H1*        C  34  17.555  20.003 -14.856
  365   1H4     C  34          1H4         C  34  13.810  19.298 -19.979
  366   2H4     C  34          2H4         C  34  14.922  20.245 -20.941
  367    H5     C  34           H5         C  34  17.091  21.031 -20.083
  368    H6     C  34           H6         C  34  18.542  21.069 -18.166
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   3.356  16.690 -14.585
    2   2H5*    G   1          2H5*        G   1   4.419  16.833 -15.985
    3    H4*    G   1           H4*        G   1   5.094  15.382 -13.417
    4    H3*    G   1           H3*        G   1   5.916  18.113 -14.428
    5    H2*    G   1           H2*        G   1   8.050  17.810 -13.376
    6   2HO*    G   1          2HO*        G   1   6.920  15.410 -12.287
    7    H1*    G   1           H1*        G   1   8.365  15.247 -14.277
    8    H8     G   1           H8         G   1   6.774  16.547 -17.288
    9    H1     G   1           H1         G   1  12.493  19.280 -16.448
   10   1H2     G   1          1H2         G   1  13.240  18.907 -14.402
   11   2H2     G   1          2H2         G   1  12.322  17.987 -13.229
   12   1H5*    G   2          1H5*        G   2   7.232  18.007 -10.517
   13   2H5*    G   2          2H5*        G   2   6.794  19.497  -9.638
   14    H4*    G   2           H4*        G   2   9.240  18.906  -9.562
   15    H3*    G   2           H3*        G   2   8.417  21.527 -10.831
   16    H2*    G   2           H2*        G   2  10.716  22.073 -11.109
   17   2HO*    G   2          2HO*        G   2  12.340  20.820 -10.128
   18    H1*    G   2           H1*        G   2  11.461  19.560 -11.945
   19    H8     G   2           H8         G   2   8.130  20.198 -13.595
   20    H1     G   2           H1         G   2  12.888  23.473 -16.330
   21   1H2     G   2          1H2         G   2  14.701  23.418 -15.070
   22   2H2     G   2          2H2         G   2  14.751  22.552 -13.549
   23   1H5*    A   3          1H5*        A   3  11.400  22.856  -8.320
   24   2H5*    A   3          2H5*        A   3  10.949  24.437  -7.625
   25    H4*    A   3           H4*        A   3  13.034  24.346  -9.140
   26    H3*    A   3           H3*        A   3  10.774  26.258  -9.758
   27    H2*    A   3           H2*        A   3  12.055  27.138 -11.504
   28   2HO*    A   3          2HO*        A   3  14.327  26.719 -11.654
   29    H1*    A   3           H1*        A   3  13.286  24.628 -12.135
   30    H8     A   3           H8         A   3   9.569  24.200 -12.100
   31   1H6     A   3          1H6         A   3   9.589  26.619 -17.825
   32   2H6     A   3          2H6         A   3   8.620  25.779 -16.630
   33    H2     A   3           H2         A   3  13.631  27.245 -15.996
   34   1H5*    G   4          1H5*        G   4  14.482  28.789  -9.381
   35   2H5*    G   4          2H5*        G   4  13.883  30.326  -8.705
   36    H4*    G   4           H4*        G   4  15.212  30.581 -10.812
   37    H3*    G   4           H3*        G   4  12.296  31.376 -11.029
   38    H2*    G   4           H2*        G   4  12.885  32.314 -13.159
   39   2HO*    G   4          2HO*        G   4  15.109  32.409 -13.777
   40    H1*    G   4           H1*        G   4  14.575  30.152 -13.783
   41    H8     G   4           H8         G   4  11.399  28.733 -12.363
   42    H1     G   4           H1         G   4  10.715  30.823 -18.372
   43   1H2     G   4          1H2         G   4  12.476  32.027 -18.968
   44   2H2     G   4          2H2         G   4  13.820  32.303 -17.883
   45   1H5*    G   5          1H5*        G   5  14.931  34.825 -11.939
   46   2H5*    G   5          2H5*        G   5  14.029  36.329 -11.607
   47    H4*    G   5           H4*        G   5  15.022  35.962 -13.980
   48    H3*    G   5           H3*        G   5  12.089  36.647 -13.648
   49    H2*    G   5           H2*        G   5  12.040  36.914 -16.026
   50   2HO*    G   5          2HO*        G   5  14.009  36.920 -17.219
   51    H1*    G   5           H1*        G   5  13.786  34.727 -16.443
   52    H8     G   5           H8         G   5  11.274  33.290 -14.134
   53    H1     G   5           H1         G   5   8.690  34.401 -19.874
   54   1H2     G   5          1H2         G   5   9.997  35.696 -21.097
   55   2H2     G   5          2H2         G   5  11.528  36.302 -20.500
   56   1H5*    A   6          1H5*        A   6  13.627  39.545 -16.376
   57   2H5*    A   6          2H5*        A   6  13.184  41.136 -15.705
   58    H4*    A   6           H4*        A   6  12.607  41.129 -18.035
   59    H3*    A   6           H3*        A   6  10.133  40.707 -16.334
   60    H2*    A   6           H2*        A   6   8.849  40.905 -18.339
   61   2HO*    A   6          2HO*        A   6   9.876  41.520 -20.297
   62    H1*    A   6           H1*        A   6  10.595  39.368 -19.830
   63    H8     A   6           H8         A   6  10.136  37.888 -16.337
   64   1H6     A   6          1H6         A   6   5.081  35.119 -18.625
   65   2H6     A   6          2H6         A   6   6.171  35.222 -17.261
   66    H2     A   6           H2         A   6   6.627  38.040 -21.681
   67   1H5*    C   7          1H5*        C   7   9.414  43.967 -19.140
   68   2H5*    C   7          2H5*        C   7   8.302  45.125 -18.369
   69    H4*    C   7           H4*        C   7   7.571  44.136 -20.612
   70    H3*    C   7           H3*        C   7   5.778  43.851 -18.187
   71    H2*    C   7           H2*        C   7   4.139  42.881 -19.601
   72   2HO*    C   7          2HO*        C   7   4.358  42.979 -21.877
   73    H1*    C   7           H1*        C   7   5.979  41.478 -21.157
   74   1H4     C   7          1H4         C   7   3.384  37.322 -17.049
   75   2H4     C   7          2H4         C   7   4.557  37.777 -15.838
   76    H5     C   7           H5         C   7   6.144  39.587 -16.139
   77    H6     C   7           H6         C   7   6.936  41.299 -17.676
   78   1H5*    A   8          1H5*        A   8   1.334  46.025 -19.205
   79   2H5*    A   8          2H5*        A   8   1.855  44.668 -18.174
   80    H4*    A   8           H4*        A   8   0.836  44.495 -21.021
   81    H3*    A   8           H3*        A   8  -0.435  43.959 -18.375
   82    H2*    A   8           H2*        A   8  -1.275  41.821 -18.961
   83   2HO*    A   8          2HO*        A   8  -1.868  42.624 -21.173
   84    H1*    A   8           H1*        A   8   0.872  40.876 -20.209
   85    H8     A   8           H8         A   8   2.841  42.857 -17.926
   86   1H6     A   8          1H6         A   8   1.224  39.079 -13.293
   87   2H6     A   8          2H6         A   8   2.330  40.337 -13.797
   88    H2     A   8           H2         A   8  -1.489  38.294 -16.770
   89   1H5*    U   9          1H5*        U   9  -3.537  41.878 -20.272
   90   2H5*    U   9          2H5*        U   9  -4.931  42.922 -19.885
   91    H4*    U   9           H4*        U   9  -5.012  40.451 -19.114
   92    H3*    U   9           H3*        U   9  -6.370  42.532 -17.978
   93    H2*    U   9           H2*        U   9  -4.393  43.134 -16.656
   94   2HO*    U   9          2HO*        U   9  -5.996  41.540 -14.953
   95    H1*    U   9           H1*        U   9  -4.418  40.256 -15.861
   96    H3     U   9           H3         U   9  -1.620  41.559 -12.456
   97    H5     U   9           H5         U   9   0.226  42.915 -15.986
   98    H6     U   9           H6         U   9  -1.694  42.189 -17.194
   99   1H5*    C  10          1H5*        C  10  -9.081  43.489 -16.168
  100   2H5*    C  10          2H5*        C  10  -7.310  43.599 -16.178
  101    H4*    C  10           H4*        C  10  -8.708  43.186 -13.572
  102    H3*    C  10           H3*        C  10  -9.638  45.362 -14.986
  103    H2*    C  10           H2*        C  10  -7.381  46.202 -15.361
  104   2HO*    C  10          2HO*        C  10  -8.712  47.863 -14.382
  105    H1*    C  10           H1*        C  10  -7.001  45.623 -12.423
  106   1H4     C  10          1H4         C  10  -1.085  47.794 -13.549
  107   2H4     C  10          2H4         C  10  -0.876  46.638 -14.843
  108    H5     C  10           H5         C  10  -2.674  45.147 -15.596
  109    H6     C  10           H6         C  10  -4.994  44.518 -15.235
  110   1H5*    C  11          1H5*        C  11 -10.223  43.645  -9.329
  111   2H5*    C  11          2H5*        C  11  -9.308  44.994 -10.051
  112    H4*    C  11           H4*        C  11  -9.664  42.851 -11.941
  113    H3*    C  11           H3*        C  11  -9.164  41.720  -9.365
  114    H2*    C  11           H2*        C  11  -6.988  42.398  -9.140
  115   2HO*    C  11          2HO*        C  11  -6.817  40.128  -9.652
  116    H1*    C  11           H1*        C  11  -6.423  42.459 -12.080
  117   1H4     C  11          1H4         C  11  -2.964  46.987  -8.613
  118   2H4     C  11          2H4         C  11  -1.927  46.494  -9.932
  119    H5     C  11           H5         C  11  -2.610  44.830 -11.608
  120    H6     C  11           H6         C  11  -4.386  43.360 -12.304
  121   1H5*    C  12          1H5*        C  12 -13.041  40.514 -11.630
  122   2H5*    C  12          2H5*        C  12 -13.282  42.075 -10.817
  123    H4*    C  12           H4*        C  12 -13.869  39.810  -9.630
  124    H3*    C  12           H3*        C  12 -13.525  42.316  -8.562
  125    H2*    C  12           H2*        C  12 -11.191  41.988  -8.382
  126   2HO*    C  12          2HO*        C  12 -10.865  41.470  -6.015
  127    H1*    C  12           H1*        C  12 -11.972  39.285  -7.180
  128   1H4     C  12          1H4         C  12  -5.479  38.934  -6.706
  129   2H4     C  12          2H4         C  12  -5.541  38.103  -8.242
  130    H5     C  12           H5         C  12  -7.592  37.923  -9.574
  131    H6     C  12           H6         C  12  -9.934  38.500  -9.665
  132   1H5*    U  13          1H5*        U  13 -17.972  40.534  -9.027
  133   2H5*    U  13          2H5*        U  13 -17.323  39.711  -7.606
  134    H4*    U  13           H4*        U  13 -15.692  40.123 -10.068
  135    H3*    U  13           H3*        U  13 -17.946  38.634 -10.345
  136    H2*    U  13           H2*        U  13 -17.502  37.060  -8.669
  137   2HO*    U  13          2HO*        U  13 -17.528  35.899 -10.680
  138    H1*    U  13           H1*        U  13 -14.582  36.949  -9.333
  139    H3     U  13           H3         U  13 -16.923  36.782  -4.531
  140    H5     U  13           H5         U  13 -13.602  34.481  -5.571
  141    H6     U  13           H6         U  13 -13.607  35.542  -7.775
  142   1H5*    C  14          1H5*        C  14 -15.070  39.923 -12.169
  143   2H5*    C  14          2H5*        C  14 -15.508  41.341 -13.154
  144    H4*    C  14           H4*        C  14 -13.759  40.930 -14.469
  145    H3*    C  14           H3*        C  14 -15.032  38.222 -14.953
  146    H2*    C  14           H2*        C  14 -13.066  37.671 -16.228
  147   2HO*    C  14          2HO*        C  14 -12.118  40.299 -15.636
  148    H1*    C  14           H1*        C  14 -11.386  38.527 -14.251
  149   1H4     C  14          1H4         C  14 -12.815  32.428 -12.882
  150   2H4     C  14          2H4         C  14 -14.159  32.952 -11.897
  151    H5     C  14           H5         C  14 -14.872  35.324 -11.742
  152    H6     C  14           H6         C  14 -14.393  37.552 -12.518
  153   1H5*    A  15          1H5*        A  15 -14.118  39.313 -19.158
  154   2H5*    A  15          2H5*        A  15 -15.476  38.631 -20.094
  155    H4*    A  15           H4*        A  15 -13.121  37.784 -20.651
  156    H3*    A  15           H3*        A  15 -15.287  35.817 -19.871
  157    H2*    A  15           H2*        A  15 -13.753  34.054 -20.431
  158   2HO*    A  15          2HO*        A  15 -11.754  34.559 -21.435
  159    H1*    A  15           H1*        A  15 -11.607  35.328 -19.189
  160    H8     A  15           H8         A  15 -14.308  36.048 -16.829
  161   1H6     A  15          1H6         A  15 -14.137  30.156 -14.929
  162   2H6     A  15          2H6         A  15 -14.754  31.756 -14.583
  163    H2     A  15           H2         A  15 -11.728  30.506 -18.697
  164   1H5*    C  16          1H5*        C  16 -14.046  34.412 -23.620
  165   2H5*    C  16          2H5*        C  16 -15.462  34.081 -24.657
  166    H4*    C  16           H4*        C  16 -13.927  32.148 -24.513
  167    H3*    C  16           H3*        C  16 -16.605  31.747 -23.159
  168    H2*    C  16           H2*        C  16 -15.993  29.449 -22.871
  169   2HO*    C  16          2HO*        C  16 -14.069  28.652 -23.834
  170    H1*    C  16           H1*        C  16 -13.409  30.076 -22.076
  171   1H4     C  16          1H4         C  16 -16.615  29.574 -16.603
  172   2H4     C  16          2H4         C  16 -17.483  31.061 -16.918
  173    H5     C  16           H5         C  16 -17.228  32.334 -18.994
  174    H6     C  16           H6         C  16 -16.091  32.412 -21.131
  175   1H5*    G  17          1H5*        G  17 -16.574  28.559 -26.163
  176   2H5*    G  17          2H5*        G  17 -18.273  28.234 -26.592
  177    H4*    G  17           H4*        G  17 -16.921  26.309 -25.569
  178    H3*    G  17           H3*        G  17 -19.514  27.182 -24.269
  179    H2*    G  17           H2*        G  17 -19.303  25.271 -22.834
  180   2HO*    G  17          2HO*        G  17 -17.700  23.706 -23.228
  181    H1*    G  17           H1*        G  17 -16.589  25.670 -22.429
  182    H8     G  17           H8         G  17 -18.286  29.061 -22.407
  183    H1     G  17           H1         G  17 -19.080  25.814 -16.966
  184   1H2     G  17          1H2         G  17 -18.432  23.711 -17.214
  185   2H2     G  17          2H2         G  17 -17.783  23.115 -18.724
  186   1H5*    G  18          1H5*        G  18 -19.863  22.953 -24.996
  187   2H5*    G  18          2H5*        G  18 -21.479  22.647 -25.685
  188    H4*    G  18           H4*        G  18 -21.028  21.157 -23.788
  189    H3*    G  18           H3*        G  18 -23.091  23.294 -23.195
  190    H2*    G  18           H2*        G  18 -23.497  22.172 -21.119
  191   2HO*    G  18          2HO*        G  18 -22.457  20.157 -20.696
  192    H1*    G  18           H1*        G  18 -20.810  21.788 -20.599
  193    H8     G  18           H8         G  18 -21.378  25.198 -22.213
  194    H1     G  18           H1         G  18 -22.610  25.113 -15.936
  195   1H2     G  18          1H2         G  18 -22.615  23.039 -15.175
  196   2H2     G  18          2H2         G  18 -22.294  21.666 -16.212
  197   1H5*    G  19          1H5*        G  19 -24.964  19.937 -21.938
  198   2H5*    G  19          2H5*        G  19 -26.655  19.900 -22.506
  199    H4*    G  19           H4*        G  19 -26.420  19.694 -20.024
  200    H3*    G  19           H3*        G  19 -27.789  22.213 -21.011
  201    H2*    G  19           H2*        G  19 -28.332  22.668 -18.727
  202   2HO*    G  19          2HO*        G  19 -28.184  21.098 -17.157
  203    H1*    G  19           H1*        G  19 -25.828  21.764 -17.797
  204    H8     G  19           H8         G  19 -25.202  23.974 -20.789
  205    H1     G  19           H1         G  19 -26.614  27.311 -15.520
  206   1H2     G  19          1H2         G  19 -27.367  25.969 -13.941
  207   2H2     G  19          2H2         G  19 -27.527  24.243 -14.178
  208   1H5*    U  20          1H5*        U  20 -30.627  23.292 -20.678
  209   2H5*    U  20          2H5*        U  20 -30.481  22.083 -19.377
  210    H4*    U  20           H4*        U  20 -33.053  23.131 -20.589
  211    H3*    U  20           H3*        U  20 -31.728  23.600 -17.917
  212    H2*    U  20           H2*        U  20 -33.871  23.708 -16.883
  213   2HO*    U  20          2HO*        U  20 -34.849  25.019 -18.563
  214    H1*    U  20           H1*        U  20 -34.991  21.663 -18.451
  215    H3     U  20           H3         U  20 -34.331  20.880 -13.792
  216    H5     U  20           H5         U  20 -31.460  18.735 -16.005
  217    H6     U  20           H6         U  20 -32.112  20.013 -17.967
  218   1H5*    G  21          1H5*        G  21 -31.980  27.984 -15.716
  219   2H5*    G  21          2H5*        G  21 -30.491  27.049 -16.026
  220    H4*    G  21           H4*        G  21 -32.621  26.649 -13.979
  221    H3*    G  21           H3*        G  21 -29.645  26.127 -14.108
  222    H2*    G  21           H2*        G  21 -29.881  24.629 -12.275
  223   2HO*    G  21          2HO*        G  21 -32.508  25.737 -11.989
  224    H1*    G  21           H1*        G  21 -32.375  23.649 -13.134
  225    H8     G  21           H8         G  21 -29.915  23.766 -16.007
  226    H1     G  21           H1         G  21 -29.286  18.582 -12.323
  227   1H2     G  21          1H2         G  21 -30.499  18.793 -10.486
  228   2H2     G  21          2H2         G  21 -31.463  20.215 -10.165
  229   1H5*    A  22          1H5*        A  22 -30.537  27.403 -10.088
  230   2H5*    A  22          2H5*        A  22 -29.171  28.241  -9.297
  231    H4*    A  22           H4*        A  22 -29.911  26.212  -8.059
  232    H3*    A  22           H3*        A  22 -27.155  26.121  -9.302
  233    H2*    A  22           H2*        A  22 -26.811  23.992  -8.230
  234   2HO*    A  22          2HO*        A  22 -27.796  24.460  -6.208
  235    H1*    A  22           H1*        A  22 -29.355  23.077  -8.828
  236    H8     A  22           H8         A  22 -27.607  25.113 -11.604
  237   1H6     A  22          1H6         A  22 -25.497  19.679 -13.649
  238   2H6     A  22          2H6         A  22 -25.600  21.394 -13.975
  239    H2     A  22           H2         A  22 -27.632  18.997  -9.772
  240   1H5*    C  23          1H5*        C  23 -23.301  26.478  -7.011
  241   2H5*    C  23          2H5*        C  23 -23.102  27.128  -8.662
  242    H4*    C  23           H4*        C  23 -23.933  24.369  -7.786
  243    H3*    C  23           H3*        C  23 -21.823  25.488  -9.622
  244    H2*    C  23           H2*        C  23 -21.969  23.580 -11.043
  245   2HO*    C  23          2HO*        C  23 -23.238  21.779 -10.435
  246    H1*    C  23           H1*        C  23 -24.660  23.494 -11.136
  247   1H4     C  23          1H4         C  23 -22.878  27.489 -15.801
  248   2H4     C  23          2H4         C  23 -23.175  28.840 -14.735
  249    H5     C  23           H5         C  23 -23.730  28.569 -12.369
  250    H6     C  23           H6         C  23 -24.117  26.959 -10.608
  251   1H5*    C  24          1H5*        C  24 -20.699  21.563  -9.243
  252   2H5*    C  24          2H5*        C  24 -18.952  21.390  -8.929
  253    H4*    C  24           H4*        C  24 -19.694  20.130 -10.934
  254    H3*    C  24           H3*        C  24 -17.843  22.472 -11.447
  255    H2*    C  24           H2*        C  24 -17.751  21.795 -13.746
  256   2HO*    C  24          2HO*        C  24 -18.708  19.836 -14.407
  257    H1*    C  24           H1*        C  24 -20.466  21.374 -13.928
  258   1H4     C  24          1H4         C  24 -19.422  27.433 -15.711
  259   2H4     C  24          2H4         C  24 -19.776  27.953 -14.082
  260    H5     C  24           H5         C  24 -20.139  26.385 -12.228
  261    H6     C  24           H6         C  24 -20.226  24.058 -11.624
  262   1H5*    G  25          1H5*        G  25 -15.705  19.326 -13.462
  263   2H5*    G  25          2H5*        G  25 -14.033  19.415 -12.843
  264    H4*    G  25           H4*        G  25 -14.111  19.438 -15.311
  265    H3*    G  25           H3*        G  25 -13.223  22.040 -14.037
  266    H2*    G  25           H2*        G  25 -12.713  22.837 -16.241
  267   2HO*    G  25          2HO*        G  25 -12.930  21.395 -18.036
  268    H1*    G  25           H1*        G  25 -15.065  21.895 -17.316
  269    H8     G  25           H8         G  25 -15.563  23.157 -13.738
  270    H1     G  25           H1         G  25 -15.785  27.755 -18.178
  271   1H2     G  25          1H2         G  25 -15.139  26.961 -20.135
  272   2H2     G  25          2H2         G  25 -14.670  25.289 -20.355
  273   1H5*    U  26          1H5*        U  26 -10.383  21.243 -16.960
  274   2H5*    U  26          2H5*        U  26  -8.746  21.478 -16.294
  275    H4*    U  26           H4*        U  26  -9.080  22.759 -18.373
  276    H3*    U  26           H3*        U  26  -8.894  24.482 -15.889
  277    H2*    U  26           H2*        U  26  -8.806  26.372 -17.360
  278   2HO*    U  26          2HO*        U  26  -8.677  26.027 -19.641
  279    H1*    U  26           H1*        U  26 -10.811  25.375 -19.017
  280    H3     U  26           H3         U  26 -12.879  28.850 -16.976
  281    H5     U  26           H5         U  26 -12.451  25.993 -13.903
  282    H6     U  26           H6         U  26 -11.162  24.635 -15.433
  283   1H5*    G  27          1H5*        G  27  -6.003  25.758 -18.622
  284   2H5*    G  27          2H5*        G  27  -4.501  26.316 -17.839
  285    H4*    G  27           H4*        G  27  -5.802  27.909 -19.432
  286    H3*    G  27           H3*        G  27  -4.186  28.478 -17.122
  287    H2*    G  27           H2*        G  27  -5.815  29.542 -15.883
  288   2HO*    G  27          2HO*        G  27  -4.701  31.381 -16.664
  289    H1*    G  27           H1*        G  27  -7.510  30.212 -18.292
  290    H8     G  27           H8         G  27  -8.352  27.625 -15.598
  291    H1     G  27           H1         G  27 -11.314  33.233 -14.813
  292   1H2     G  27          1H2         G  27 -10.506  34.736 -16.221
  293   2H2     G  27          2H2         G  27  -9.240  34.351 -17.366
  294   1H5*    G  28          1H5*        G  28  -4.776  32.671 -18.870
  295   2H5*    G  28          2H5*        G  28  -4.938  31.588 -20.277
  296    H4*    G  28           H4*        G  28  -5.002  33.582 -21.376
  297    H3*    G  28           H3*        G  28  -2.059  33.000 -21.044
  298    H2*    G  28           H2*        G  28  -1.462  35.132 -21.932
  299   2HO*    G  28          2HO*        G  28  -4.252  35.378 -22.545
  300    H1*    G  28           H1*        G  28  -3.254  36.557 -20.478
  301    H8     G  28           H8         G  28  -2.540  33.898 -17.991
  302    H1     G  28           H1         G  28   2.505  37.743 -18.822
  303   1H2     G  28          1H2         G  28   2.253  38.977 -20.643
  304   2H2     G  28          2H2         G  28   0.828  38.861 -21.652
  305   1H5*    U  29          1H5*        U  29  -1.746  34.434 -25.080
  306   2H5*    U  29          2H5*        U  29  -1.068  33.038 -25.964
  307    H4*    U  29           H4*        U  29   0.260  35.059 -26.365
  308    H3*    U  29           H3*        U  29   1.649  33.007 -24.621
  309    H2*    U  29           H2*        U  29   3.614  34.359 -24.757
  310   2HO*    U  29          2HO*        U  29   2.127  35.909 -26.654
  311    H1*    U  29           H1*        U  29   2.246  36.710 -24.307
  312    H3     U  29           H3         U  29   4.682  35.647 -20.562
  313    H5     U  29           H5         U  29   1.052  33.546 -20.172
  314    H6     U  29           H6         U  29   0.512  34.191 -22.439
  315   1H5*    C  30          1H5*        C  30   4.468  33.596 -28.174
  316   2H5*    C  30          2H5*        C  30   5.461  32.112 -28.172
  317    H4*    C  30           H4*        C  30   6.597  34.444 -27.810
  318    H3*    C  30           H3*        C  30   7.144  32.087 -25.987
  319    H2*    C  30           H2*        C  30   8.843  33.432 -24.952
  320   2HO*    C  30          2HO*        C  30   9.381  35.482 -25.857
  321    H1*    C  30           H1*        C  30   7.243  35.723 -24.941
  322   1H4     C  30          1H4         C  30   6.583  32.955 -19.194
  323   2H4     C  30          2H4         C  30   5.213  32.055 -19.799
  324    H5     C  30           H5         C  30   4.543  32.078 -22.153
  325    H6     C  30           H6         C  30   5.056  32.970 -24.331
  326   1H5*    C  31          1H5*        C  31  11.058  33.194 -27.435
  327   2H5*    C  31          2H5*        C  31  12.114  31.757 -27.352
  328    H4*    C  31           H4*        C  31  12.621  33.848 -25.853
  329    H3*    C  31           H3*        C  31  12.549  31.036 -24.732
  330    H2*    C  31           H2*        C  31  13.335  31.964 -22.670
  331   2HO*    C  31          2HO*        C  31  14.091  34.108 -22.575
  332    H1*    C  31           H1*        C  31  11.716  34.265 -22.914
  333   1H4     C  31          1H4         C  31   8.860  30.137 -18.881
  334   2H4     C  31          2H4         C  31   7.823  29.646 -20.201
  335    H5     C  31           H5         C  31   8.157  30.394 -22.513
  336    H6     C  31           H6         C  31   9.532  31.751 -23.960
  337   1H5*    U  32          1H5*        U  32  16.152  32.224 -23.266
  338   2H5*    U  32          2H5*        U  32  17.391  31.056 -23.795
  339    H4*    U  32           H4*        U  32  17.500  31.377 -21.378
  340    H3*    U  32           H3*        U  32  16.333  28.694 -22.162
  341    H2*    U  32           H2*        U  32  16.376  28.104 -19.848
  342   2HO*    U  32          2HO*        U  32  17.470  29.438 -18.338
  343    H1*    U  32           H1*        U  32  15.579  30.660 -19.001
  344    H3     U  32           H3         U  32  12.367  27.531 -17.949
  345    H5     U  32           H5         U  32  11.493  28.803 -21.862
  346    H6     U  32           H6         U  32  13.620  29.961 -21.889
  347   1H5*    C  33          1H5*        C  33  19.643  28.006 -19.511
  348   2H5*    C  33          2H5*        C  33  20.632  26.663 -20.142
  349    H4*    C  33           H4*        C  33  20.021  26.418 -17.732
  350    H3*    C  33           H3*        C  33  18.882  24.354 -19.631
  351    H2*    C  33           H2*        C  33  18.012  23.203 -17.740
  352   2HO*    C  33          2HO*        C  33  18.745  23.666 -15.648
  353    H1*    C  33           H1*        C  33  17.431  25.544 -16.309
  354   1H4     C  33          1H4         C  33  11.682  23.965 -18.495
  355   2H4     C  33          2H4         C  33  12.317  23.531 -20.066
  356    H5     C  33           H5         C  33  14.689  23.717 -20.638
  357    H6     C  33           H6         C  33  16.871  24.365 -19.810
  358   1H5*    C  34          1H5*        C  34  21.083  22.525 -16.315
  359   2H5*    C  34          2H5*        C  34  21.714  20.921 -16.775
  360    H4*    C  34           H4*        C  34  20.097  21.110 -14.735
  361    H3*    C  34           H3*        C  34  19.625  19.120 -16.963
  362    H2*    C  34           H2*        C  34  17.814  18.250 -15.700
  363   2HO*    C  34          2HO*        C  34  18.976  19.724 -13.537
  364    H1*    C  34           H1*        C  34  17.048  20.792 -14.690
  365   1H4     C  34          1H4         C  34  12.794  19.306 -19.210
  366   2H4     C  34          2H4         C  34  13.895  19.863 -20.451
  367    H5     C  34           H5         C  34  16.199  20.580 -19.964
  368    H6     C  34           H6         C  34  17.817  20.911 -18.221
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   4.188  17.481 -13.777
    2   2H5*    G   1          2H5*        G   1   5.018  17.562 -15.331
    3    H4*    G   1           H4*        G   1   6.019  16.080 -12.890
    4    H3*    G   1           H3*        G   1   6.830  18.751 -14.058
    5    H2*    G   1           H2*        G   1   9.073  18.322 -13.333
    6   2HO*    G   1          2HO*        G   1   9.530  16.515 -12.016
    7    H1*    G   1           H1*        G   1   9.071  15.706 -14.193
    8    H8     G   1           H8         G   1   7.245  17.041 -17.032
    9    H1     G   1           H1         G   1  13.171  19.448 -16.936
   10   1H2     G   1          1H2         G   1  14.120  19.093 -14.974
   11   2H2     G   1          2H2         G   1  13.295  18.260 -13.673
   12   1H5*    G   2          1H5*        G   2   8.343  18.795 -10.008
   13   2H5*    G   2          2H5*        G   2   8.226  20.439  -9.323
   14    H4*    G   2           H4*        G   2  10.547  19.408  -9.352
   15    H3*    G   2           H3*        G   2  10.064  22.022 -10.803
   16    H2*    G   2           H2*        G   2  12.416  22.130 -11.252
   17   2HO*    G   2          2HO*        G   2  13.823  20.567 -10.350
   18    H1*    G   2           H1*        G   2  12.577  19.528 -12.062
   19    H8     G   2           H8         G   2   9.217  20.401 -13.369
   20    H1     G   2           H1         G   2  13.810  23.444 -16.599
   21   1H2     G   2          1H2         G   2  15.742  23.329 -15.522
   22   2H2     G   2          2H2         G   2  15.902  22.486 -13.997
   23   1H5*    A   3          1H5*        A   3  13.430  22.832  -9.003
   24   2H5*    A   3          2H5*        A   3  13.406  24.393  -8.139
   25    H4*    A   3           H4*        A   3  15.217  24.131  -9.904
   26    H3*    A   3           H3*        A   3  13.192  26.352 -10.247
   27    H2*    A   3           H2*        A   3  14.469  27.136 -12.065
   28   2HO*    A   3          2HO*        A   3  16.603  26.309 -12.448
   29    H1*    A   3           H1*        A   3  15.157  24.509 -12.939
   30    H8     A   3           H8         A   3  11.480  24.484 -12.470
   31   1H6     A   3          1H6         A   3  11.027  27.465 -17.899
   32   2H6     A   3          2H6         A   3  10.142  26.596 -16.663
   33    H2     A   3           H2         A   3  15.309  27.565 -16.588
   34   1H5*    G   4          1H5*        G   4  16.874  28.419 -10.275
   35   2H5*    G   4          2H5*        G   4  16.707  29.858  -9.239
   36    H4*    G   4           H4*        G   4  17.558  30.511 -11.415
   37    H3*    G   4           H3*        G   4  14.632  31.255 -11.140
   38    H2*    G   4           H2*        G   4  14.929  32.497 -13.170
   39   2HO*    G   4          2HO*        G   4  17.078  32.709 -14.048
   40    H1*    G   4           H1*        G   4  16.577  30.493 -14.292
   41    H8     G   4           H8         G   4  13.542  28.893 -12.707
   42    H1     G   4           H1         G   4  12.335  31.563 -18.401
   43   1H2     G   4          1H2         G   4  14.055  32.805 -19.029
   44   2H2     G   4          2H2         G   4  15.491  32.969 -18.051
   45   1H5*    G   5          1H5*        G   5  16.849  34.862 -12.042
   46   2H5*    G   5          2H5*        G   5  16.150  36.182 -11.068
   47    H4*    G   5           H4*        G   5  16.331  36.769 -13.467
   48    H3*    G   5           H3*        G   5  13.472  36.411 -12.525
   49    H2*    G   5           H2*        G   5  12.835  37.350 -14.636
   50   2HO*    G   5          2HO*        G   5  14.425  38.273 -16.008
   51    H1*    G   5           H1*        G   5  14.867  35.960 -16.010
   52    H8     G   5           H8         G   5  13.040  33.664 -13.580
   53    H1     G   5           H1         G   5   9.886  34.578 -19.073
   54   1H2     G   5          1H2         G   5  10.823  36.202 -20.242
   55   2H2     G   5          2H2         G   5  12.237  37.064 -19.672
   56   1H5*    A   6          1H5*        A   6  13.973  40.398 -14.197
   57   2H5*    A   6          2H5*        A   6  12.965  41.526 -13.254
   58    H4*    A   6           H4*        A   6  12.569  41.675 -15.706
   59    H3*    A   6           H3*        A   6  10.233  40.585 -14.111
   60    H2*    A   6           H2*        A   6   8.949  40.824 -16.131
   61   2HO*    A   6          2HO*        A   6   9.878  41.842 -17.958
   62    H1*    A   6           H1*        A   6  10.978  39.770 -17.703
   63    H8     A   6           H8         A   6  10.914  37.711 -14.549
   64   1H6     A   6          1H6         A   6   6.063  34.688 -16.954
   65   2H6     A   6          2H6         A   6   7.257  34.698 -15.671
   66    H2     A   6           H2         A   6   6.897  38.277 -19.500
   67   1H5*    C   7          1H5*        C   7   9.091  44.041 -16.397
   68   2H5*    C   7          2H5*        C   7   7.893  45.007 -15.503
   69    H4*    C   7           H4*        C   7   7.305  44.346 -17.900
   70    H3*    C   7           H3*        C   7   5.420  43.652 -15.626
   71    H2*    C   7           H2*        C   7   3.887  42.818 -17.223
   72   2HO*    C   7          2HO*        C   7   4.205  43.209 -19.460
   73    H1*    C   7           H1*        C   7   5.827  41.653 -18.844
   74   1H4     C   7          1H4         C   7   3.308  37.064 -15.134
   75   2H4     C   7          2H4         C   7   4.694  37.216 -14.078
   76    H5     C   7           H5         C   7   6.384  38.970 -14.333
   77    H6     C   7           H6         C   7   7.059  40.878 -15.662
   78   1H5*    A   8          1H5*        A   8   1.047  45.882 -15.611
   79   2H5*    A   8          2H5*        A   8   1.824  44.400 -14.988
   80    H4*    A   8           H4*        A   8   0.278  44.708 -17.576
   81    H3*    A   8           H3*        A   8  -0.281  43.206 -15.010
   82    H2*    A   8           H2*        A   8  -1.409  41.528 -16.285
   83   2HO*    A   8          2HO*        A   8  -0.841  43.174 -18.547
   84    H1*    A   8           H1*        A   8   0.563  41.208 -18.000
   85    H8     A   8           H8         A   8   2.808  42.122 -15.387
   86   1H6     A   8          1H6         A   8   1.300  36.981 -12.253
   87   2H6     A   8          2H6         A   8   2.461  38.282 -12.381
   88    H2     A   8           H2         A   8  -1.760  37.675 -15.486
   89   1H5*    U   9          1H5*        U   9  -5.291  43.265 -14.511
   90   2H5*    U   9          2H5*        U   9  -4.531  42.698 -13.006
   91    H4*    U   9           H4*        U   9  -5.611  40.762 -13.517
   92    H3*    U   9           H3*        U   9  -3.183  40.242 -13.921
   93    H2*    U   9           H2*        U   9  -3.081  41.211 -16.127
   94   2HO*    U   9          2HO*        U   9  -2.106  39.239 -16.440
   95    H1*    U   9           H1*        U   9  -5.554  39.716 -16.982
   96    H3     U   9           H3         U   9  -6.486  42.378 -20.572
   97    H5     U   9           H5         U   9  -3.194  44.215 -18.680
   98    H6     U   9           H6         U   9  -3.441  42.634 -16.903
   99   1H5*    C  10          1H5*        C  10  -7.128  35.983 -13.583
  100   2H5*    C  10          2H5*        C  10  -6.561  37.261 -14.689
  101    H4*    C  10           H4*        C  10  -6.534  38.162 -11.944
  102    H3*    C  10           H3*        C  10  -8.698  36.500 -12.175
  103    H2*    C  10           H2*        C  10  -9.514  37.580 -14.134
  104   2HO*    C  10          2HO*        C  10 -11.362  38.666 -13.539
  105    H1*    C  10           H1*        C  10  -8.940  40.223 -12.770
  106   1H4     C  10          1H4         C  10 -10.573  41.452 -19.084
  107   2H4     C  10          2H4         C  10  -9.352  42.669 -18.792
  108    H5     C  10           H5         C  10  -8.006  42.742 -16.739
  109    H6     C  10           H6         C  10  -7.608  41.668 -14.620
  110   1H5*    C  11          1H5*        C  11  -9.004  39.424  -7.106
  111   2H5*    C  11          2H5*        C  11  -9.835  39.254  -8.673
  112    H4*    C  11           H4*        C  11  -9.030  41.626  -7.621
  113    H3*    C  11           H3*        C  11  -9.922  40.814 -10.280
  114    H2*    C  11           H2*        C  11  -7.768  41.115 -11.195
  115   2HO*    C  11          2HO*        C  11  -8.548  43.834 -10.975
  116    H1*    C  11           H1*        C  11  -7.370  43.247  -9.081
  117   1H4     C  11          1H4         C  11  -1.492  43.445 -11.591
  118   2H4     C  11          2H4         C  11  -1.287  41.730 -11.319
  119    H5     C  11           H5         C  11  -3.079  40.295 -10.459
  120    H6     C  11           H6         C  11  -5.352  40.245  -9.698
  121   1H5*    C  12          1H5*        C  12 -11.676  42.114 -13.733
  122   2H5*    C  12          2H5*        C  12 -12.456  43.469 -12.868
  123    H4*    C  12           H4*        C  12 -13.590  41.014 -13.361
  124    H3*    C  12           H3*        C  12 -14.400  43.344 -11.876
  125    H2*    C  12           H2*        C  12 -14.026  42.318  -9.783
  126   2HO*    C  12          2HO*        C  12 -15.918  41.432  -9.010
  127    H1*    C  12           H1*        C  12 -14.637  39.655 -11.077
  128   1H4     C  12          1H4         C  12 -12.377  38.332  -5.042
  129   2H4     C  12          2H4         C  12 -11.293  37.328  -5.974
  130    H5     C  12           H5         C  12 -11.180  37.410  -8.414
  131    H6     C  12           H6         C  12 -12.057  38.454 -10.399
  132   1H5*    U  13          1H5*        U  13 -19.286  40.245 -12.286
  133   2H5*    U  13          2H5*        U  13 -17.901  40.704 -11.262
  134    H4*    U  13           H4*        U  13 -16.962  40.185 -13.905
  135    H3*    U  13           H3*        U  13 -19.154  38.455 -13.472
  136    H2*    U  13           H2*        U  13 -18.098  37.233 -11.751
  137   2HO*    U  13          2HO*        U  13 -17.104  35.392 -12.613
  138    H1*    U  13           H1*        U  13 -15.457  37.646 -13.155
  139    H3     U  13           H3         U  13 -13.302  35.183 -10.047
  140    H5     U  13           H5         U  13 -15.870  37.601  -7.782
  141    H6     U  13           H6         U  13 -16.787  38.469  -9.832
  142   1H5*    C  14          1H5*        C  14 -15.893  39.803 -15.523
  143   2H5*    C  14          2H5*        C  14 -16.266  41.154 -16.625
  144    H4*    C  14           H4*        C  14 -14.464  40.678 -17.847
  145    H3*    C  14           H3*        C  14 -15.570  37.858 -18.032
  146    H2*    C  14           H2*        C  14 -13.491  37.225 -19.063
  147   2HO*    C  14          2HO*        C  14 -12.541  39.875 -18.716
  148    H1*    C  14           H1*        C  14 -12.011  38.371 -17.104
  149   1H4     C  14          1H4         C  14 -13.702  32.502 -15.085
  150   2H4     C  14          2H4         C  14 -14.903  33.238 -14.049
  151    H5     C  14           H5         C  14 -15.428  35.644 -14.117
  152    H6     C  14           H6         C  14 -14.880  37.759 -15.199
  153   1H5*    A  15          1H5*        A  15 -14.286  38.167 -22.342
  154   2H5*    A  15          2H5*        A  15 -15.732  37.493 -23.142
  155    H4*    A  15           H4*        A  15 -13.571  36.322 -23.692
  156    H3*    A  15           H3*        A  15 -15.707  34.696 -22.289
  157    H2*    A  15           H2*        A  15 -14.332  32.758 -22.695
  158   2HO*    A  15          2HO*        A  15 -12.602  34.546 -24.128
  159    H1*    A  15           H1*        A  15 -12.053  34.047 -21.836
  160    H8     A  15           H8         A  15 -14.560  35.503 -19.585
  161   1H6     A  15          1H6         A  15 -14.703  30.168 -16.442
  162   2H6     A  15          2H6         A  15 -15.190  31.850 -16.436
  163    H2     A  15           H2         A  15 -12.492  29.491 -20.278
  164   1H5*    C  16          1H5*        C  16 -14.951  32.483 -25.761
  165   2H5*    C  16          2H5*        C  16 -16.485  32.034 -26.559
  166    H4*    C  16           H4*        C  16 -14.994  30.088 -26.162
  167    H3*    C  16           H3*        C  16 -17.566  30.109 -24.562
  168    H2*    C  16           H2*        C  16 -17.018  27.887 -23.849
  169   2HO*    C  16          2HO*        C  16 -15.220  26.803 -24.771
  170    H1*    C  16           H1*        C  16 -14.351  28.512 -23.401
  171   1H4     C  16          1H4         C  16 -17.137  29.263 -17.724
  172   2H4     C  16          2H4         C  16 -17.883  30.759 -18.242
  173    H5     C  16           H5         C  16 -17.687  31.619 -20.527
  174    H6     C  16           H6         C  16 -16.746  31.201 -22.715
  175   1H5*    G  17          1H5*        G  17 -17.829  26.363 -26.911
  176   2H5*    G  17          2H5*        G  17 -19.565  26.020 -27.129
  177    H4*    G  17           H4*        G  17 -18.184  24.257 -25.896
  178    H3*    G  17           H3*        G  17 -20.595  25.478 -24.533
  179    H2*    G  17           H2*        G  17 -20.289  23.866 -22.781
  180   2HO*    G  17          2HO*        G  17 -18.748  22.199 -23.017
  181    H1*    G  17           H1*        G  17 -17.549  24.224 -22.699
  182    H8     G  17           H8         G  17 -19.121  27.622 -23.264
  183    H1     G  17           H1         G  17 -19.539  25.636 -17.209
  184   1H2     G  17          1H2         G  17 -18.989  23.496 -17.054
  185   2H2     G  17          2H2         G  17 -18.502  22.562 -18.450
  186   1H5*    G  18          1H5*        G  18 -21.213  21.267 -24.223
  187   2H5*    G  18          2H5*        G  18 -22.873  20.940 -24.793
  188    H4*    G  18           H4*        G  18 -22.507  19.875 -22.633
  189    H3*    G  18           H3*        G  18 -24.285  22.320 -22.450
  190    H2*    G  18           H2*        G  18 -24.674  21.752 -20.166
  191   2HO*    G  18          2HO*        G  18 -23.871  19.750 -19.333
  192    H1*    G  18           H1*        G  18 -22.026  21.090 -19.676
  193    H8     G  18           H8         G  18 -22.275  24.178 -21.901
  194    H1     G  18           H1         G  18 -23.045  25.442 -15.675
  195   1H2     G  18          1H2         G  18 -23.244  23.570 -14.523
  196   2H2     G  18          2H2         G  18 -23.179  21.995 -15.284
  197   1H5*    G  19          1H5*        G  19 -26.526  19.374 -20.587
  198   2H5*    G  19          2H5*        G  19 -28.263  19.571 -20.939
  199    H4*    G  19           H4*        G  19 -27.583  19.677 -18.482
  200    H3*    G  19           H3*        G  19 -28.995  22.066 -19.703
  201    H2*    G  19           H2*        G  19 -29.125  22.978 -17.498
  202   2HO*    G  19          2HO*        G  19 -28.872  21.728 -15.702
  203    H1*    G  19           H1*        G  19 -26.542  22.086 -16.807
  204    H8     G  19           H8         G  19 -26.351  23.631 -20.249
  205    H1     G  19           H1         G  19 -26.624  27.999 -15.586
  206   1H2     G  19          1H2         G  19 -27.157  27.045 -13.672
  207   2H2     G  19          2H2         G  19 -27.442  25.325 -13.532
  208   1H5*    U  20          1H5*        U  20 -31.758  23.239 -19.265
  209   2H5*    U  20          2H5*        U  20 -31.526  22.170 -17.858
  210    H4*    U  20           H4*        U  20 -34.194  23.097 -18.963
  211    H3*    U  20           H3*        U  20 -32.602  23.961 -16.544
  212    H2*    U  20           H2*        U  20 -34.621  24.232 -15.316
  213   2HO*    U  20          2HO*        U  20 -35.712  25.340 -17.113
  214    H1*    U  20           H1*        U  20 -35.942  22.063 -16.533
  215    H3     U  20           H3         U  20 -35.431  19.320 -13.024
  216    H5     U  20           H5         U  20 -32.144  21.916 -12.685
  217    H6     U  20           H6         U  20 -32.809  22.942 -14.780
  218   1H5*    G  21          1H5*        G  21 -32.076  28.919 -15.621
  219   2H5*    G  21          2H5*        G  21 -30.797  27.701 -15.869
  220    H4*    G  21           H4*        G  21 -32.643  28.102 -13.540
  221    H3*    G  21           H3*        G  21 -29.719  27.404 -13.863
  222    H2*    G  21           H2*        G  21 -29.755  26.436 -11.690
  223   2HO*    G  21          2HO*        G  21 -30.854  27.727 -10.345
  224    H1*    G  21           H1*        G  21 -32.358  25.407 -11.952
  225    H8     G  21           H8         G  21 -30.313  24.645 -15.044
  226    H1     G  21           H1         G  21 -29.266  20.568 -10.233
  227   1H2     G  21          1H2         G  21 -30.221  21.309  -8.377
  228   2H2     G  21          2H2         G  21 -31.105  22.815  -8.323
  229   1H5*    A  22          1H5*        A  22 -30.128  30.011 -10.343
  230   2H5*    A  22          2H5*        A  22 -28.661  30.976 -10.014
  231    H4*    A  22           H4*        A  22 -29.285  29.597  -8.070
  232    H3*    A  22           H3*        A  22 -26.772  28.722  -9.510
  233    H2*    A  22           H2*        A  22 -26.417  27.121  -7.734
  234   2HO*    A  22          2HO*        A  22 -27.178  28.505  -6.001
  235    H1*    A  22           H1*        A  22 -29.033  26.290  -7.756
  236    H8     A  22           H8         A  22 -27.543  27.202 -11.202
  237   1H6     A  22          1H6         A  22 -26.008  21.234 -11.627
  238   2H6     A  22          2H6         A  22 -26.053  22.767 -12.466
  239    H2     A  22           H2         A  22 -27.696  21.973  -7.545
  240   1H5*    C  23          1H5*        C  23 -22.559  28.461  -7.142
  241   2H5*    C  23          2H5*        C  23 -22.972  28.987  -8.796
  242    H4*    C  23           H4*        C  23 -23.693  26.329  -7.532
  243    H3*    C  23           H3*        C  23 -21.618  27.089  -9.589
  244    H2*    C  23           H2*        C  23 -21.975  25.009 -10.705
  245   2HO*    C  23          2HO*        C  23 -23.278  23.400  -9.773
  246    H1*    C  23           H1*        C  23 -24.689  25.123 -10.582
  247   1H4     C  23          1H4         C  23 -23.076  27.974 -16.066
  248   2H4     C  23          2H4         C  23 -23.086  29.523 -15.255
  249    H5     C  23           H5         C  23 -23.384  29.754 -12.835
  250    H6     C  23           H6         C  23 -23.727  28.550 -10.771
  251   1H5*    C  24          1H5*        C  24 -20.780  23.148  -8.683
  252   2H5*    C  24          2H5*        C  24 -19.041  22.904  -8.372
  253    H4*    C  24           H4*        C  24 -19.889  21.350 -10.087
  254    H3*    C  24           H3*        C  24 -17.998  23.480 -11.115
  255    H2*    C  24           H2*        C  24 -18.030  22.362 -13.236
  256   2HO*    C  24          2HO*        C  24 -19.135  20.352 -13.444
  257    H1*    C  24           H1*        C  24 -20.766  21.997 -13.210
  258   1H4     C  24          1H4         C  24 -19.700  27.503 -16.288
  259   2H4     C  24          2H4         C  24 -19.908  28.366 -14.783
  260    H5     C  24           H5         C  24 -20.181  27.239 -12.618
  261    H6     C  24           H6         C  24 -20.283  25.095 -11.529
  262   1H5*    G  25          1H5*        G  25 -16.025  19.933 -12.528
  263   2H5*    G  25          2H5*        G  25 -14.330  20.082 -11.983
  264    H4*    G  25           H4*        G  25 -14.453  19.616 -14.390
  265    H3*    G  25           H3*        G  25 -13.547  22.430 -13.720
  266    H2*    G  25           H2*        G  25 -13.093  22.742 -16.054
  267   2HO*    G  25          2HO*        G  25 -13.326  20.950 -17.496
  268    H1*    G  25           H1*        G  25 -15.458  21.567 -16.850
  269    H8     G  25           H8         G  25 -15.814  23.632 -13.631
  270    H1     G  25           H1         G  25 -16.401  27.030 -19.018
  271   1H2     G  25          1H2         G  25 -15.857  25.791 -20.766
  272   2H2     G  25          2H2         G  25 -15.361  24.120 -20.608
  273   1H5*    U  26          1H5*        U  26 -10.785  21.063 -16.480
  274   2H5*    U  26          2H5*        U  26  -9.134  21.388 -15.889
  275    H4*    U  26           H4*        U  26  -9.436  22.252 -18.161
  276    H3*    U  26           H3*        U  26  -9.290  24.435 -16.068
  277    H2*    U  26           H2*        U  26  -9.202  26.000 -17.874
  278   2HO*    U  26          2HO*        U  26  -9.033  25.217 -20.046
  279    H1*    U  26           H1*        U  26 -11.160  24.666 -19.346
  280    H3     U  26           H3         U  26 -13.430  28.374 -18.139
  281    H5     U  26           H5         U  26 -12.779  26.388 -14.470
  282    H6     U  26           H6         U  26 -11.451  24.760 -15.664
  283   1H5*    G  27          1H5*        G  27  -6.328  25.195 -18.923
  284   2H5*    G  27          2H5*        G  27  -4.862  25.930 -18.222
  285    H4*    G  27           H4*        G  27  -6.139  27.167 -20.118
  286    H3*    G  27           H3*        G  27  -4.579  28.198 -17.964
  287    H2*    G  27           H2*        G  27  -6.305  29.283 -16.849
  288   2HO*    G  27          2HO*        G  27  -5.260  31.074 -17.721
  289    H1*    G  27           H1*        G  27  -7.941  29.630 -19.370
  290    H8     G  27           H8         G  27  -8.709  27.479 -16.267
  291    H1     G  27           H1         G  27 -12.098  32.886 -16.686
  292   1H2     G  27          1H2         G  27 -11.345  34.129 -18.356
  293   2H2     G  27          2H2         G  27 -10.019  33.619 -19.371
  294   1H5*    G  28          1H5*        G  28  -4.010  32.178 -18.811
  295   2H5*    G  28          2H5*        G  28  -5.268  32.065 -20.069
  296    H4*    G  28           H4*        G  28  -4.486  33.852 -21.200
  297    H3*    G  28           H3*        G  28  -1.689  33.002 -20.404
  298    H2*    G  28           H2*        G  28  -0.933  35.222 -20.911
  299   2HO*    G  28          2HO*        G  28  -2.393  36.739 -21.824
  300    H1*    G  28           H1*        G  28  -2.985  36.434 -19.572
  301    H8     G  28           H8         G  28  -2.523  33.570 -17.315
  302    H1     G  28           H1         G  28   2.499  37.542 -17.090
  303   1H2     G  28          1H2         G  28   2.427  38.962 -18.790
  304   2H2     G  28          2H2         G  28   1.150  38.919 -19.982
  305   1H5*    U  29          1H5*        U  29  -1.031  35.213 -23.816
  306   2H5*    U  29          2H5*        U  29  -0.258  34.158 -25.029
  307    H4*    U  29           H4*        U  29   0.920  36.282 -24.906
  308    H3*    U  29           H3*        U  29   2.460  34.026 -23.600
  309    H2*    U  29           H2*        U  29   4.299  35.546 -23.407
  310   2HO*    U  29          2HO*        U  29   4.175  37.621 -24.374
  311    H1*    U  29           H1*        U  29   2.693  37.633 -22.546
  312    H3     U  29           H3         U  29   5.373  35.971 -19.142
  313    H5     U  29           H5         U  29   1.747  33.833 -18.961
  314    H6     U  29           H6         U  29   1.136  34.818 -21.083
  315   1H5*    C  30          1H5*        C  30   4.919  35.669 -26.781
  316   2H5*    C  30          2H5*        C  30   5.953  34.398 -27.489
  317    H4*    C  30           H4*        C  30   7.167  36.445 -26.624
  318    H3*    C  30           H3*        C  30   7.832  33.774 -25.359
  319    H2*    C  30           H2*        C  30   9.634  34.899 -24.240
  320   2HO*    C  30          2HO*        C  30  10.142  37.064 -24.776
  321    H1*    C  30           H1*        C  30   8.063  37.132 -23.643
  322   1H4     C  30          1H4         C  30   7.979  33.291 -18.504
  323   2H4     C  30          2H4         C  30   6.480  32.597 -19.079
  324    H5     C  30           H5         C  30   5.520  33.126 -21.277
  325    H6     C  30           H6         C  30   5.832  34.406 -23.297
  326   1H5*    C  31          1H5*        C  31  11.450  35.212 -26.768
  327   2H5*    C  31          2H5*        C  31  12.493  33.914 -27.410
  328    H4*    C  31           H4*        C  31  13.533  35.247 -25.563
  329    H3*    C  31           H3*        C  31  13.010  32.324 -24.964
  330    H2*    C  31           H2*        C  31  14.296  32.646 -22.963
  331   2HO*    C  31          2HO*        C  31  15.402  34.627 -22.624
  332    H1*    C  31           H1*        C  31  13.098  35.114 -22.423
  333   1H4     C  31          1H4         C  31  10.065  30.699 -18.943
  334   2H4     C  31          2H4         C  31   8.842  30.581 -20.191
  335    H5     C  31           H5         C  31   9.033  31.724 -22.359
  336    H6     C  31           H6         C  31  10.437  33.172 -23.705
  337   1H5*    U  32          1H5*        U  32  17.145  32.589 -24.249
  338   2H5*    U  32          2H5*        U  32  17.933  31.248 -25.124
  339    H4*    U  32           H4*        U  32  18.632  31.270 -22.785
  340    H3*    U  32           H3*        U  32  16.721  28.998 -23.386
  341    H2*    U  32           H2*        U  32  17.232  28.173 -21.197
  342   2HO*    U  32          2HO*        U  32  19.243  30.213 -21.133
  343    H1*    U  32           H1*        U  32  17.173  30.728 -20.057
  344    H3     U  32           H3         U  32  13.665  28.337 -18.352
  345    H5     U  32           H5         U  32  12.325  29.716 -22.099
  346    H6     U  32           H6         U  32  14.574  30.488 -22.545
  347   1H5*    C  33          1H5*        C  33  20.638  27.467 -21.934
  348   2H5*    C  33          2H5*        C  33  20.834  25.766 -22.435
  349    H4*    C  33           H4*        C  33  20.908  26.412 -19.890
  350    H3*    C  33           H3*        C  33  19.197  24.129 -20.899
  351    H2*    C  33           H2*        C  33  18.798  23.609 -18.607
  352   2HO*    C  33          2HO*        C  33  20.833  25.525 -17.987
  353    H1*    C  33           H1*        C  33  18.679  26.325 -17.852
  354   1H4     C  33          1H4         C  33  12.789  23.790 -18.053
  355   2H4     C  33          2H4         C  33  12.550  24.617 -19.571
  356    H5     C  33           H5         C  33  14.302  25.780 -20.726
  357    H6     C  33           H6         C  33  16.672  26.391 -20.684
  358   1H5*    C  34          1H5*        C  34  21.673  22.570 -17.812
  359   2H5*    C  34          2H5*        C  34  21.932  20.821 -18.042
  360    H4*    C  34           H4*        C  34  20.676  21.741 -15.917
  361    H3*    C  34           H3*        C  34  19.857  19.332 -17.545
  362    H2*    C  34           H2*        C  34  17.909  19.027 -16.225
  363   2HO*    C  34          2HO*        C  34  17.730  20.003 -14.164
  364    H1*    C  34           H1*        C  34  17.468  21.757 -15.690
  365   1H4     C  34          1H4         C  34  13.104  19.845 -19.977
  366   2H4     C  34          2H4         C  34  14.158  20.398 -21.261
  367    H5     C  34           H5         C  34  16.466  21.185 -20.848
  368    H6     C  34           H6         C  34  18.109  21.596 -19.151
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   4.427  17.515 -15.215
    2   2H5*    G   1          2H5*        G   1   5.349  17.854 -16.680
    3    H4*    G   1           H4*        G   1   6.221  15.991 -14.459
    4    H3*    G   1           H3*        G   1   7.080  18.818 -15.128
    5    H2*    G   1           H2*        G   1   9.261  18.270 -14.307
    6   2HO*    G   1          2HO*        G   1   9.639  16.384 -13.164
    7    H1*    G   1           H1*        G   1   9.328  15.805 -15.558
    8    H8     G   1           H8         G   1   7.788  17.613 -18.303
    9    H1     G   1           H1         G   1  13.681  19.864 -17.252
   10   1H2     G   1          1H2         G   1  14.436  19.165 -15.297
   11   2H2     G   1          2H2         G   1  13.484  18.150 -14.237
   12   1H5*    G   2          1H5*        G   2   8.363  18.405 -10.966
   13   2H5*    G   2          2H5*        G   2   8.116  19.987 -10.176
   14    H4*    G   2           H4*        G   2  10.489  19.064 -10.138
   15    H3*    G   2           H3*        G   2   9.955  21.771 -11.384
   16    H2*    G   2           H2*        G   2  12.321  22.034 -11.654
   17   2HO*    G   2          2HO*        G   2  13.755  20.491 -10.761
   18    H1*    G   2           H1*        G   2  12.690  19.485 -12.615
   19    H8     G   2           H8         G   2   9.445  20.339 -14.170
   20    H1     G   2           H1         G   2  14.208  23.731 -16.752
   21   1H2     G   2          1H2         G   2  16.029  23.592 -15.501
   22   2H2     G   2          2H2         G   2  16.073  22.648 -14.029
   23   1H5*    A   3          1H5*        A   3  13.125  22.610  -9.067
   24   2H5*    A   3          2H5*        A   3  12.898  24.131  -8.162
   25    H4*    A   3           H4*        A   3  14.923  24.030  -9.706
   26    H3*    A   3           H3*        A   3  12.844  26.176 -10.189
   27    H2*    A   3           H2*        A   3  14.315  27.112 -11.794
   28   2HO*    A   3          2HO*        A   3  16.494  26.374 -11.958
   29    H1*    A   3           H1*        A   3  15.142  24.573 -12.752
   30    H8     A   3           H8         A   3  11.471  24.292 -12.621
   31   1H6     A   3          1H6         A   3  11.239  27.759 -17.761
   32   2H6     A   3          2H6         A   3  10.324  26.715 -16.694
   33    H2     A   3           H2         A   3  15.380  28.018 -16.064
   34   1H5*    G   4          1H5*        G   4  16.304  28.864  -9.394
   35   2H5*    G   4          2H5*        G   4  15.530  30.177  -8.468
   36    H4*    G   4           H4*        G   4  16.723  30.910 -10.562
   37    H3*    G   4           H3*        G   4  13.728  31.379 -10.504
   38    H2*    G   4           H2*        G   4  14.061  32.694 -12.481
   39   2HO*    G   4          2HO*        G   4  16.158  33.253 -13.159
   40    H1*    G   4           H1*        G   4  15.953  30.878 -13.521
   41    H8     G   4           H8         G   4  12.984  28.962 -12.171
   42    H1     G   4           H1         G   4  11.883  31.635 -17.887
   43   1H2     G   4          1H2         G   4  13.516  33.040 -18.394
   44   2H2     G   4          2H2         G   4  14.866  33.324 -17.322
   45   1H5*    G   5          1H5*        G   5  15.755  35.387 -10.899
   46   2H5*    G   5          2H5*        G   5  14.542  36.610 -10.429
   47    H4*    G   5           H4*        G   5  15.549  36.589 -12.865
   48    H3*    G   5           H3*        G   5  12.568  36.819 -12.364
   49    H2*    G   5           H2*        G   5  12.362  37.249 -14.711
   50   2HO*    G   5          2HO*        G   5  14.270  37.568 -15.979
   51    H1*    G   5           H1*        G   5  14.326  35.344 -15.374
   52    H8     G   5           H8         G   5  12.021  33.723 -12.873
   53    H1     G   5           H1         G   5   9.388  34.171 -18.683
   54   1H2     G   5          1H2         G   5  10.575  35.519 -19.972
   55   2H2     G   5          2H2         G   5  12.035  36.301 -19.407
   56   1H5*    A   6          1H5*        A   6  13.784  40.042 -14.999
   57   2H5*    A   6          2H5*        A   6  12.839  41.484 -14.542
   58    H4*    A   6           H4*        A   6  12.694  40.856 -16.973
   59    H3*    A   6           H3*        A   6  10.124  40.781 -15.370
   60    H2*    A   6           H2*        A   6   8.967  40.423 -17.437
   61   2HO*    A   6          2HO*        A   6  11.514  40.887 -18.676
   62    H1*    A   6           H1*        A   6  10.811  38.593 -18.362
   63    H8     A   6           H8         A   6  10.338  37.922 -14.665
   64   1H6     A   6          1H6         A   6   5.197  34.825 -16.265
   65   2H6     A   6          2H6         A   6   6.309  35.177 -14.957
   66    H2     A   6           H2         A   6   6.703  37.043 -19.856
   67   1H5*    C   7          1H5*        C   7   9.508  43.050 -18.964
   68   2H5*    C   7          2H5*        C   7   8.490  44.459 -18.579
   69    H4*    C   7           H4*        C   7   7.705  42.946 -20.490
   70    H3*    C   7           H3*        C   7   5.887  43.513 -18.141
   71    H2*    C   7           H2*        C   7   4.164  42.311 -19.261
   72   2HO*    C   7          2HO*        C   7   4.369  41.755 -21.464
   73    H1*    C   7           H1*        C   7   5.898  40.374 -20.313
   74   1H4     C   7          1H4         C   7   3.005  37.642 -15.322
   75   2H4     C   7          2H4         C   7   4.225  38.298 -14.250
   76    H5     C   7           H5         C   7   5.974  39.860 -15.010
   77    H6     C   7           H6         C   7   6.840  41.063 -16.919
   78   1H5*    A   8          1H5*        A   8   2.287  45.134 -17.959
   79   2H5*    A   8          2H5*        A   8   3.246  43.638 -18.098
   80    H4*    A   8           H4*        A   8   1.278  43.952 -20.242
   81    H3*    A   8           H3*        A   8   0.333  43.903 -17.382
   82    H2*    A   8           H2*        A   8  -1.347  42.323 -17.939
   83   2HO*    A   8          2HO*        A   8  -1.615  43.338 -20.150
   84    H1*    A   8           H1*        A   8   0.283  40.659 -19.208
   85    H8     A   8           H8         A   8   2.447  42.501 -16.784
   86   1H6     A   8          1H6         A   8   0.569  38.480 -12.459
   87   2H6     A   8          2H6         A   8   1.707  39.755 -12.829
   88    H2     A   8           H2         A   8  -1.972  37.927 -16.117
   89   1H5*    U   9          1H5*        U   9  -3.794  43.393 -18.405
   90   2H5*    U   9          2H5*        U   9  -4.282  45.037 -17.972
   91    H4*    U   9           H4*        U   9  -5.191  44.426 -16.056
   92    H3*    U   9           H3*        U   9  -3.153  43.798 -14.882
   93    H2*    U   9           H2*        U   9  -2.633  42.273 -16.787
   94   2HO*    U   9          2HO*        U   9  -2.991  40.716 -14.443
   95    H1*    U   9           H1*        U   9  -4.984  40.636 -15.824
   96    H3     U   9           H3         U   9  -4.995  37.618 -19.214
   97    H5     U   9           H5         U   9  -2.340  40.609 -20.528
   98    H6     U   9           H6         U   9  -2.933  41.864 -18.560
   99   1H5*    C  10          1H5*        C  10  -9.155  43.302 -13.596
  100   2H5*    C  10          2H5*        C  10  -8.019  43.172 -12.242
  101    H4*    C  10           H4*        C  10  -9.215  41.110 -12.396
  102    H3*    C  10           H3*        C  10  -6.404  41.064 -12.547
  103    H2*    C  10           H2*        C  10  -6.390  40.635 -14.889
  104   2HO*    C  10          2HO*        C  10  -6.666  38.065 -13.717
  105    H1*    C  10           H1*        C  10  -8.786  38.868 -14.437
  106   1H4     C  10          1H4         C  10  -9.307  38.635 -20.767
  107   2H4     C  10          2H4         C  10  -8.212  39.983 -20.967
  108    H5     C  10           H5         C  10  -7.211  41.180 -19.068
  109    H6     C  10           H6         C  10  -7.093  41.279 -16.669
  110   1H5*    C  11          1H5*        C  11  -7.262  38.741  -8.040
  111   2H5*    C  11          2H5*        C  11  -8.443  39.060  -9.340
  112    H4*    C  11           H4*        C  11  -8.454  40.573  -7.222
  113    H3*    C  11           H3*        C  11  -9.366  41.159  -9.764
  114    H2*    C  11           H2*        C  11  -7.249  42.053 -10.469
  115   2HO*    C  11          2HO*        C  11  -8.727  44.247  -9.433
  116    H1*    C  11           H1*        C  11  -7.186  43.495  -7.800
  117   1H4     C  11          1H4         C  11  -1.340  45.290  -9.582
  118   2H4     C  11          2H4         C  11  -1.099  43.827 -10.508
  119    H5     C  11           H5         C  11  -2.807  42.076 -10.696
  120    H6     C  11           H6         C  11  -5.029  41.417 -10.035
  121   1H5*    C  12          1H5*        C  12 -13.155  41.414 -10.944
  122   2H5*    C  12          2H5*        C  12 -13.523  42.316  -9.442
  123    H4*    C  12           H4*        C  12 -14.246  40.148  -8.960
  124    H3*    C  12           H3*        C  12 -12.166  40.923  -7.366
  125    H2*    C  12           H2*        C  12 -10.644  39.985  -8.991
  126   2HO*    C  12          2HO*        C  12 -10.297  37.725  -7.643
  127    H1*    C  12           H1*        C  12 -12.428  37.567  -8.742
  128   1H4     C  12          1H4         C  12  -7.990  34.883 -12.517
  129   2H4     C  12          2H4         C  12  -8.511  35.923 -13.823
  130    H5     C  12           H5         C  12 -10.149  37.721 -13.516
  131    H6     C  12           H6         C  12 -11.568  38.836 -11.915
  132   1H5*    U  13          1H5*        U  13 -16.698  40.107  -8.321
  133   2H5*    U  13          2H5*        U  13 -17.477  38.514  -8.470
  134    H4*    U  13           H4*        U  13 -15.492  39.843 -10.189
  135    H3*    U  13           H3*        U  13 -17.891  38.282 -10.586
  136    H2*    U  13           H2*        U  13 -16.896  36.325 -11.221
  137   2HO*    U  13          2HO*        U  13 -15.864  37.938 -13.297
  138    H1*    U  13           H1*        U  13 -14.138  37.472 -11.652
  139    H3     U  13           H3         U  13 -12.534  33.294 -11.338
  140    H5     U  13           H5         U  13 -15.368  33.499  -8.237
  141    H6     U  13           H6         U  13 -15.896  35.737  -8.957
  142   1H5*    C  14          1H5*        C  14 -15.773  41.119 -15.240
  143   2H5*    C  14          2H5*        C  14 -16.759  39.842 -15.999
  144    H4*    C  14           H4*        C  14 -14.246  40.592 -16.812
  145    H3*    C  14           H3*        C  14 -15.525  37.852 -17.074
  146    H2*    C  14           H2*        C  14 -13.561  37.232 -18.331
  147   2HO*    C  14          2HO*        C  14 -11.912  38.826 -18.643
  148    H1*    C  14           H1*        C  14 -11.904  38.211 -16.402
  149   1H4     C  14          1H4         C  14 -13.395  32.198 -14.706
  150   2H4     C  14          2H4         C  14 -14.671  32.820 -13.690
  151    H5     C  14           H5         C  14 -15.311  35.181 -13.649
  152    H6     C  14           H6         C  14 -14.819  37.361 -14.555
  153   1H5*    A  15          1H5*        A  15 -14.317  38.412 -21.176
  154   2H5*    A  15          2H5*        A  15 -15.691  37.816 -22.147
  155    H4*    A  15           H4*        A  15 -13.509  36.673 -22.632
  156    H3*    A  15           H3*        A  15 -15.708  34.939 -21.476
  157    H2*    A  15           H2*        A  15 -14.292  33.047 -21.964
  158   2HO*    A  15          2HO*        A  15 -12.326  33.366 -23.078
  159    H1*    A  15           H1*        A  15 -12.083  34.279 -20.869
  160    H8     A  15           H8         A  15 -14.809  35.491 -18.690
  161   1H6     A  15          1H6         A  15 -14.904  29.932 -15.967
  162   2H6     A  15          2H6         A  15 -15.476  31.582 -15.874
  163    H2     A  15           H2         A  15 -12.375  29.658 -19.661
  164   1H5*    C  16          1H5*        C  16 -14.705  32.902 -24.922
  165   2H5*    C  16          2H5*        C  16 -16.168  32.533 -25.876
  166    H4*    C  16           H4*        C  16 -14.765  30.530 -25.453
  167    H3*    C  16           H3*        C  16 -17.471  30.545 -24.089
  168    H2*    C  16           H2*        C  16 -17.045  28.282 -23.424
  169   2HO*    C  16          2HO*        C  16 -15.213  27.177 -24.229
  170    H1*    C  16           H1*        C  16 -14.420  28.808 -22.702
  171   1H4     C  16          1H4         C  16 -17.613  29.529 -17.250
  172   2H4     C  16          2H4         C  16 -18.401  30.976 -17.840
  173    H5     C  16           H5         C  16 -18.089  31.823 -20.119
  174    H6     C  16           H6         C  16 -16.947  31.442 -22.223
  175   1H5*    G  17          1H5*        G  17 -17.734  26.860 -26.770
  176   2H5*    G  17          2H5*        G  17 -19.491  26.609 -26.948
  177    H4*    G  17           H4*        G  17 -18.063  24.768 -25.795
  178    H3*    G  17           H3*        G  17 -20.573  25.874 -24.512
  179    H2*    G  17           H2*        G  17 -20.319  24.205 -22.807
  180   2HO*    G  17          2HO*        G  17 -18.671  22.608 -23.023
  181    H1*    G  17           H1*        G  17 -17.603  24.618 -22.554
  182    H8     G  17           H8         G  17 -19.317  27.972 -23.118
  183    H1     G  17           H1         G  17 -19.758  25.857 -17.111
  184   1H2     G  17          1H2         G  17 -19.093  23.749 -16.981
  185   2H2     G  17          2H2         G  17 -18.520  22.871 -18.380
  186   1H5*    G  18          1H5*        G  18 -21.000  21.635 -24.468
  187   2H5*    G  18          2H5*        G  18 -22.666  21.221 -24.956
  188    H4*    G  18           H4*        G  18 -22.015  20.169 -22.810
  189    H3*    G  18           H3*        G  18 -24.151  22.304 -22.600
  190    H2*    G  18           H2*        G  18 -24.406  21.687 -20.307
  191   2HO*    G  18          2HO*        G  18 -23.322  19.834 -19.488
  192    H1*    G  18           H1*        G  18 -21.676  21.444 -19.871
  193    H8     G  18           H8         G  18 -22.295  24.483 -22.046
  194    H1     G  18           H1         G  18 -23.543  25.535 -15.860
  195   1H2     G  18          1H2         G  18 -23.550  23.633 -14.742
  196   2H2     G  18          2H2         G  18 -23.233  22.095 -15.513
  197   1H5*    G  19          1H5*        G  19 -25.844  19.326 -20.473
  198   2H5*    G  19          2H5*        G  19 -27.549  19.111 -20.949
  199    H4*    G  19           H4*        G  19 -27.224  19.567 -18.505
  200    H3*    G  19           H3*        G  19 -28.708  21.698 -20.072
  201    H2*    G  19           H2*        G  19 -29.179  22.751 -17.984
  202   2HO*    G  19          2HO*        G  19 -29.195  21.642 -16.124
  203    H1*    G  19           H1*        G  19 -26.640  22.139 -16.920
  204    H8     G  19           H8         G  19 -26.200  23.531 -20.415
  205    H1     G  19           H1         G  19 -27.328  28.066 -16.045
  206   1H2     G  19          1H2         G  19 -27.966  27.154 -14.143
  207   2H2     G  19          2H2         G  19 -28.116  25.423 -13.939
  208   1H5*    U  20          1H5*        U  20 -31.485  22.748 -19.762
  209   2H5*    U  20          2H5*        U  20 -31.389  21.877 -18.211
  210    H4*    U  20           H4*        U  20 -33.943  22.583 -19.681
  211    H3*    U  20           H3*        U  20 -32.594  23.863 -17.303
  212    H2*    U  20           H2*        U  20 -34.726  24.299 -16.338
  213   2HO*    U  20          2HO*        U  20 -35.708  25.042 -18.334
  214    H1*    U  20           H1*        U  20 -35.877  21.879 -17.218
  215    H3     U  20           H3         U  20 -35.241  22.620 -12.531
  216    H5     U  20           H5         U  20 -32.473  19.767 -13.924
  217    H6     U  20           H6         U  20 -33.080  20.382 -16.196
  218   1H5*    G  21          1H5*        G  21 -32.888  28.687 -16.553
  219   2H5*    G  21          2H5*        G  21 -31.368  27.756 -16.590
  220    H4*    G  21           H4*        G  21 -33.401  28.015 -14.451
  221    H3*    G  21           H3*        G  21 -30.453  27.366 -14.550
  222    H2*    G  21           H2*        G  21 -30.611  26.476 -12.350
  223   2HO*    G  21          2HO*        G  21 -33.193  27.711 -12.273
  224    H1*    G  21           H1*        G  21 -33.140  25.344 -12.739
  225    H8     G  21           H8         G  21 -30.852  24.631 -15.685
  226    H1     G  21           H1         G  21 -30.049  20.617 -10.776
  227   1H2     G  21          1H2         G  21 -31.161  21.338  -9.005
  228   2H2     G  21          2H2         G  21 -32.099  22.811  -9.030
  229   1H5*    A  22          1H5*        A  22 -31.135  30.008 -11.010
  230   2H5*    A  22          2H5*        A  22 -29.659  30.959 -10.681
  231    H4*    A  22           H4*        A  22 -30.396  29.649  -8.710
  232    H3*    A  22           H3*        A  22 -27.785  28.783  -9.980
  233    H2*    A  22           H2*        A  22 -27.503  27.230  -8.161
  234   2HO*    A  22          2HO*        A  22 -28.937  27.261  -6.403
  235    H1*    A  22           H1*        A  22 -30.076  26.332  -8.290
  236    H8     A  22           H8         A  22 -28.539  27.208 -11.723
  237   1H6     A  22          1H6         A  22 -26.702  21.318 -11.923
  238   2H6     A  22          2H6         A  22 -26.806  22.822 -12.811
  239    H2     A  22           H2         A  22 -28.493  22.098  -7.896
  240   1H5*    C  23          1H5*        C  23 -24.486  28.309  -7.210
  241   2H5*    C  23          2H5*        C  23 -23.579  28.769  -8.676
  242    H4*    C  23           H4*        C  23 -24.947  26.242  -7.991
  243    H3*    C  23           H3*        C  23 -22.661  27.041  -9.795
  244    H2*    C  23           H2*        C  23 -22.917  25.001 -11.014
  245   2HO*    C  23          2HO*        C  23 -24.399  23.409 -10.287
  246    H1*    C  23           H1*        C  23 -25.617  25.178 -11.210
  247   1H4     C  23          1H4         C  23 -23.353  28.326 -16.282
  248   2H4     C  23          2H4         C  23 -23.383  29.819 -15.369
  249    H5     C  23           H5         C  23 -23.915  29.901 -12.971
  250    H6     C  23           H6         C  23 -24.525  28.580 -11.051
  251   1H5*    C  24          1H5*        C  24 -21.769  23.083  -8.891
  252   2H5*    C  24          2H5*        C  24 -20.072  22.922  -8.364
  253    H4*    C  24           H4*        C  24 -20.610  21.373 -10.206
  254    H3*    C  24           H3*        C  24 -18.711  23.618 -10.927
  255    H2*    C  24           H2*        C  24 -18.423  22.592 -13.073
  256   2HO*    C  24          2HO*        C  24 -19.377  20.540 -13.489
  257    H1*    C  24           H1*        C  24 -21.113  22.091 -13.412
  258   1H4     C  24          1H4         C  24 -19.929  27.778 -16.101
  259   2H4     C  24          2H4         C  24 -20.464  28.556 -14.632
  260    H5     C  24           H5         C  24 -21.021  27.317 -12.584
  261    H6     C  24           H6         C  24 -21.134  25.121 -11.599
  262   1H5*    G  25          1H5*        G  25 -16.491  20.088 -12.044
  263   2H5*    G  25          2H5*        G  25 -14.803  20.316 -11.513
  264    H4*    G  25           H4*        G  25 -15.030  19.776 -13.943
  265    H3*    G  25           H3*        G  25 -13.911  22.504 -13.250
  266    H2*    G  25           H2*        G  25 -13.490  22.839 -15.581
  267   2HO*    G  25          2HO*        G  25 -13.862  21.081 -17.056
  268    H1*    G  25           H1*        G  25 -15.914  21.770 -16.376
  269    H8     G  25           H8         G  25 -16.192  23.889 -13.191
  270    H1     G  25           H1         G  25 -16.515  27.261 -18.619
  271   1H2     G  25          1H2         G  25 -16.004  25.985 -20.345
  272   2H2     G  25          2H2         G  25 -15.601  24.290 -20.170
  273   1H5*    U  26          1H5*        U  26 -11.252  20.876 -16.165
  274   2H5*    U  26          2H5*        U  26  -9.600  21.077 -15.523
  275    H4*    U  26           H4*        U  26  -9.735  21.950 -17.796
  276    H3*    U  26           H3*        U  26  -9.564  24.139 -15.711
  277    H2*    U  26           H2*        U  26  -9.310  25.689 -17.517
  278   2HO*    U  26          2HO*        U  26  -9.131  24.868 -19.685
  279    H1*    U  26           H1*        U  26 -11.294  24.492 -19.050
  280    H3     U  26           H3         U  26 -13.436  28.273 -17.828
  281    H5     U  26           H5         U  26 -12.947  26.207 -14.180
  282    H6     U  26           H6         U  26 -11.666  24.538 -15.373
  283   1H5*    G  27          1H5*        G  27  -6.432  24.779 -18.392
  284   2H5*    G  27          2H5*        G  27  -4.962  25.396 -17.591
  285    H4*    G  27           H4*        G  27  -6.031  26.779 -19.501
  286    H3*    G  27           H3*        G  27  -4.580  27.638 -17.210
  287    H2*    G  27           H2*        G  27  -6.302  28.774 -16.166
  288   2HO*    G  27          2HO*        G  27  -5.110  30.531 -16.916
  289    H1*    G  27           H1*        G  27  -7.757  29.308 -18.771
  290    H8     G  27           H8         G  27  -8.826  27.071 -15.822
  291    H1     G  27           H1         G  27 -11.954  32.634 -16.203
  292   1H2     G  27          1H2         G  27 -11.050  33.922 -17.760
  293   2H2     G  27          2H2         G  27  -9.681  33.401 -18.716
  294   1H5*    G  28          1H5*        G  28  -4.216  31.804 -18.182
  295   2H5*    G  28          2H5*        G  28  -5.243  31.253 -19.531
  296    H4*    G  28           H4*        G  28  -4.821  33.094 -20.707
  297    H3*    G  28           H3*        G  28  -1.898  32.637 -20.057
  298    H2*    G  28           H2*        G  28  -1.428  34.874 -20.777
  299   2HO*    G  28          2HO*        G  28  -3.116  36.146 -21.695
  300    H1*    G  28           H1*        G  28  -3.525  35.975 -19.410
  301    H8     G  28           H8         G  28  -2.761  33.533 -16.846
  302    H1     G  28           H1         G  28   2.171  37.564 -17.577
  303   1H2     G  28          1H2         G  28   1.972  38.680 -19.478
  304   2H2     G  28          2H2         G  28   0.619  38.439 -20.560
  305   1H5*    U  29          1H5*        U  29  -1.438  34.643 -23.498
  306   2H5*    U  29          2H5*        U  29  -0.703  33.557 -24.707
  307    H4*    U  29           H4*        U  29   0.493  35.656 -24.713
  308    H3*    U  29           H3*        U  29   2.042  33.467 -23.303
  309    H2*    U  29           H2*        U  29   3.884  34.986 -23.156
  310   2HO*    U  29          2HO*        U  29   3.780  37.018 -24.200
  311    H1*    U  29           H1*        U  29   2.323  37.098 -22.354
  312    H3     U  29           H3         U  29   4.832  35.538 -18.828
  313    H5     U  29           H5         U  29   1.270  33.301 -18.769
  314    H6     U  29           H6         U  29   0.709  34.259 -20.920
  315   1H5*    C  30          1H5*        C  30   4.543  35.222 -26.390
  316   2H5*    C  30          2H5*        C  30   5.578  33.963 -27.117
  317    H4*    C  30           H4*        C  30   6.798  35.994 -26.243
  318    H3*    C  30           H3*        C  30   7.458  33.317 -24.987
  319    H2*    C  30           H2*        C  30   9.257  34.430 -23.850
  320   2HO*    C  30          2HO*        C  30   9.692  36.651 -24.336
  321    H1*    C  30           H1*        C  30   7.691  36.624 -23.188
  322   1H4     C  30          1H4         C  30   7.477  32.610 -18.207
  323   2H4     C  30          2H4         C  30   6.021  31.894 -18.862
  324    H5     C  30           H5         C  30   5.127  32.478 -21.073
  325    H6     C  30           H6         C  30   5.473  33.843 -23.032
  326   1H5*    C  31          1H5*        C  31  11.145  34.880 -26.509
  327   2H5*    C  31          2H5*        C  31  12.219  33.555 -27.033
  328    H4*    C  31           H4*        C  31  13.160  35.106 -25.258
  329    H3*    C  31           H3*        C  31  12.886  32.166 -24.584
  330    H2*    C  31           H2*        C  31  14.095  32.634 -22.573
  331   2HO*    C  31          2HO*        C  31  15.047  34.696 -22.258
  332    H1*    C  31           H1*        C  31  12.728  35.024 -22.109
  333   1H4     C  31          1H4         C  31   9.931  30.495 -18.552
  334   2H4     C  31          2H4         C  31   8.771  30.233 -19.834
  335    H5     C  31           H5         C  31   8.940  31.309 -22.032
  336    H6     C  31           H6         C  31  10.258  32.821 -23.386
  337   1H5*    U  32          1H5*        U  32  17.151  33.120 -24.064
  338   2H5*    U  32          2H5*        U  32  18.078  31.702 -24.624
  339    H4*    U  32           H4*        U  32  18.665  32.427 -22.309
  340    H3*    U  32           H3*        U  32  17.359  29.705 -22.545
  341    H2*    U  32           H2*        U  32  17.863  29.396 -20.222
  342   2HO*    U  32          2HO*        U  32  19.124  30.981 -19.117
  343    H1*    U  32           H1*        U  32  17.072  31.968 -19.542
  344    H3     U  32           H3         U  32  13.992  29.024 -17.834
  345    H5     U  32           H5         U  32  12.841  29.630 -21.839
  346    H6     U  32           H6         U  32  14.908  30.834 -22.184
  347   1H5*    C  33          1H5*        C  33  21.078  28.920 -20.494
  348   2H5*    C  33          2H5*        C  33  21.680  27.334 -21.052
  349    H4*    C  33           H4*        C  33  21.301  27.624 -18.531
  350    H3*    C  33           H3*        C  33  19.865  25.392 -19.983
  351    H2*    C  33           H2*        C  33  19.160  24.618 -17.835
  352   2HO*    C  33          2HO*        C  33  20.103  25.498 -15.928
  353    H1*    C  33           H1*        C  33  18.787  27.227 -16.834
  354   1H4     C  33          1H4         C  33  13.165  24.457 -18.314
  355   2H4     C  33          2H4         C  33  13.051  25.605 -19.625
  356    H5     C  33           H5         C  33  14.865  27.076 -20.254
  357    H6     C  33           H6         C  33  17.160  27.733 -19.763
  358   1H5*    C  34          1H5*        C  34  21.589  23.403 -16.822
  359   2H5*    C  34          2H5*        C  34  22.612  22.107 -17.493
  360    H4*    C  34           H4*        C  34  21.278  21.112 -15.777
  361    H3*    C  34           H3*        C  34  19.871  20.525 -18.404
  362    H2*    C  34           H2*        C  34  18.622  18.932 -17.097
  363   2HO*    C  34          2HO*        C  34  20.418  18.422 -15.610
  364    H1*    C  34           H1*        C  34  18.055  20.879 -15.250
  365   1H4     C  34          1H4         C  34  13.610  21.506 -19.828
  366   2H4     C  34          2H4         C  34  14.677  22.554 -20.737
  367    H5     C  34           H5         C  34  17.023  22.991 -20.052
  368    H6     C  34           H6         C  34  18.679  22.524 -18.399
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   4.754  16.132 -18.476
    2   2H5*    G   1          2H5*        G   1   6.049  16.666 -19.547
    3    H4*    G   1           H4*        G   1   6.366  14.720 -17.254
    4    H3*    G   1           H3*        G   1   7.064  17.658 -17.460
    5    H2*    G   1           H2*        G   1   8.960  17.252 -16.046
    6   2HO*    G   1          2HO*        G   1   7.897  14.604 -15.764
    7    H1*    G   1           H1*        G   1   9.736  14.994 -17.377
    8    H8     G   1           H8         G   1   8.490  17.035 -20.204
    9    H1     G   1           H1         G   1  13.967  19.380 -17.878
   10   1H2     G   1          1H2         G   1  14.437  18.463 -15.925
   11   2H2     G   1          2H2         G   1  13.396  17.266 -15.183
   12   1H5*    G   2          1H5*        G   2   7.513  16.839 -13.381
   13   2H5*    G   2          2H5*        G   2   6.406  17.908 -12.478
   14    H4*    G   2           H4*        G   2   8.554  17.996 -11.409
   15    H3*    G   2           H3*        G   2   8.090  20.461 -13.113
   16    H2*    G   2           H2*        G   2  10.131  21.347 -12.192
   17   2HO*    G   2          2HO*        G   2  11.288  20.094 -10.640
   18    H1*    G   2           H1*        G   2  11.533  19.109 -12.744
   19    H8     G   2           H8         G   2   8.850  19.291 -15.423
   20    H1     G   2           H1         G   2  13.720  23.302 -16.457
   21   1H2     G   2          1H2         G   2  15.013  23.426 -14.665
   22   2H2     G   2          2H2         G   2  14.683  22.503 -13.216
   23   1H5*    A   3          1H5*        A   3   8.488  22.280  -8.808
   24   2H5*    A   3          2H5*        A   3   7.924  23.951  -9.082
   25    H4*    A   3           H4*        A   3  10.413  23.442  -8.346
   26    H3*    A   3           H3*        A   3   9.683  25.463 -10.504
   27    H2*    A   3           H2*        A   3  12.098  26.028 -10.508
   28   2HO*    A   3          2HO*        A   3  13.444  24.776  -9.119
   29    H1*    A   3           H1*        A   3  12.788  23.499 -10.907
   30    H8     A   3           H8         A   3   9.556  23.014 -12.530
   31   1H6     A   3          1H6         A   3  11.376  26.436 -17.320
   32   2H6     A   3          2H6         A   3  10.184  25.305 -16.725
   33    H2     A   3           H2         A   3  14.264  27.119 -13.966
   34   1H5*    G   4          1H5*        G   4  12.267  27.718  -8.329
   35   2H5*    G   4          2H5*        G   4  11.488  29.252  -7.854
   36    H4*    G   4           H4*        G   4  13.670  29.572  -9.011
   37    H3*    G   4           H3*        G   4  11.202  30.596 -10.436
   38    H2*    G   4           H2*        G   4  12.650  31.567 -12.096
   39   2HO*    G   4          2HO*        G   4  14.910  31.452 -11.834
   40    H1*    G   4           H1*        G   4  14.066  29.280 -12.432
   41    H8     G   4           H8         G   4  10.760  27.817 -11.631
   42    H1     G   4           H1         G   4  10.814  30.601 -17.383
   43   1H2     G   4          1H2         G   4  12.612  31.873 -17.611
   44   2H2     G   4          2H2         G   4  13.804  32.023 -16.339
   45   1H5*    G   5          1H5*        G   5  13.723  33.732 -10.802
   46   2H5*    G   5          2H5*        G   5  12.980  35.190 -10.093
   47    H4*    G   5           H4*        G   5  13.901  35.613 -12.346
   48    H3*    G   5           H3*        G   5  10.872  35.673 -12.249
   49    H2*    G   5           H2*        G   5  10.973  36.547 -14.477
   50   2HO*    G   5          2HO*        G   5  13.018  37.142 -15.374
   51    H1*    G   5           H1*        G   5  13.088  34.834 -15.199
   52    H8     G   5           H8         G   5  10.613  32.657 -13.411
   53    H1     G   5           H1         G   5   8.578  34.262 -19.252
   54   1H2     G   5          1H2         G   5   9.827  35.867 -20.110
   55   2H2     G   5          2H2         G   5  11.174  36.567 -19.235
   56   1H5*    A   6          1H5*        A   6  11.914  39.294 -14.044
   57   2H5*    A   6          2H5*        A   6  11.138  40.591 -13.099
   58    H4*    A   6           H4*        A   6  10.665  41.038 -15.392
   59    H3*    A   6           H3*        A   6   8.263  39.646 -14.173
   60    H2*    A   6           H2*        A   6   7.117  40.161 -16.217
   61   2HO*    A   6          2HO*        A   6   8.148  41.469 -17.797
   62    H1*    A   6           H1*        A   6   9.280  39.437 -17.784
   63    H8     A   6           H8         A   6   8.937  36.993 -14.880
   64   1H6     A   6          1H6         A   6   4.689  34.067 -18.325
   65   2H6     A   6          2H6         A   6   5.667  33.989 -16.875
   66    H2     A   6           H2         A   6   5.729  37.950 -20.331
   67   1H5*    C   7          1H5*        C   7   7.063  43.430 -16.015
   68   2H5*    C   7          2H5*        C   7   5.660  44.069 -15.126
   69    H4*    C   7           H4*        C   7   5.413  43.731 -17.658
   70    H3*    C   7           H3*        C   7   3.417  42.521 -15.720
   71    H2*    C   7           H2*        C   7   2.196  41.677 -17.540
   72   2HO*    C   7          2HO*        C   7   2.568  42.459 -19.668
   73    H1*    C   7           H1*        C   7   4.406  41.194 -19.185
   74   1H4     C   7          1H4         C   7   2.246  35.599 -16.932
   75   2H4     C   7          2H4         C   7   3.336  35.733 -15.572
   76    H5     C   7           H5         C   7   4.675  37.727 -15.138
   77    H6     C   7           H6         C   7   5.232  39.944 -15.942
   78   1H5*    A   8          1H5*        A   8   1.115  44.693 -19.014
   79   2H5*    A   8          2H5*        A   8  -0.336  45.281 -18.162
   80    H4*    A   8           H4*        A   8  -0.643  43.754 -20.235
   81    H3*    A   8           H3*        A   8  -2.024  43.181 -17.614
   82    H2*    A   8           H2*        A   8  -3.148  41.362 -18.676
   83   2HO*    A   8          2HO*        A   8  -2.030  42.390 -21.103
   84    H1*    A   8           H1*        A   8  -0.933  40.477 -20.030
   85    H8     A   8           H8         A   8   0.316  41.536 -16.699
   86   1H6     A   8          1H6         A   8  -1.720  36.106 -14.509
   87   2H6     A   8          2H6         A   8  -0.742  37.512 -14.157
   88    H2     A   8           H2         A   8  -3.383  36.710 -18.637
   89   1H5*    U   9          1H5*        U   9  -4.791  43.108 -21.140
   90   2H5*    U   9          2H5*        U   9  -6.460  43.367 -20.568
   91    H4*    U   9           H4*        U   9  -5.496  41.043 -21.712
   92    H3*    U   9           H3*        U   9  -7.931  41.771 -20.246
   93    H2*    U   9           H2*        U   9  -7.825  39.977 -18.775
   94   2HO*    U   9          2HO*        U   9  -7.930  37.820 -19.789
   95    H1*    U   9           H1*        U   9  -5.672  38.619 -20.343
   96    H3     U   9           H3         U   9  -6.113  36.161 -16.363
   97    H5     U   9           H5         U   9  -3.785  39.578 -15.558
   98    H6     U   9           H6         U   9  -4.418  40.433 -17.711
   99   1H5*    C  10          1H5*        C  10  -9.767  40.392 -19.693
  100   2H5*    C  10          2H5*        C  10 -11.420  40.903 -20.098
  101    H4*    C  10           H4*        C  10 -11.303  42.803 -18.798
  102    H3*    C  10           H3*        C  10  -8.770  43.360 -19.751
  103    H2*    C  10           H2*        C  10  -7.739  41.689 -18.348
  104   2HO*    C  10          2HO*        C  10  -6.767  43.779 -17.950
  105    H1*    C  10           H1*        C  10  -9.496  42.735 -16.132
  106   1H4     C  10          1H4         C  10  -6.758  38.075 -12.795
  107   2H4     C  10          2H4         C  10  -7.196  36.895 -14.009
  108    H5     C  10           H5         C  10  -8.287  37.506 -16.118
  109    H6     C  10           H6         C  10  -9.156  39.336 -17.421
  110   1H5*    C  11          1H5*        C  11  -7.351  45.390 -15.343
  111   2H5*    C  11          2H5*        C  11  -8.679  44.502 -16.123
  112    H4*    C  11           H4*        C  11  -8.839  47.245 -14.873
  113    H3*    C  11           H3*        C  11  -9.041  44.858 -13.475
  114    H2*    C  11           H2*        C  11 -10.828  43.997 -14.759
  115   2HO*    C  11          2HO*        C  11 -12.107  45.547 -12.754
  116    H1*    C  11           H1*        C  11 -12.118  46.745 -14.769
  117   1H4     C  11          1H4         C  11 -15.524  44.631 -19.753
  118   2H4     C  11          2H4         C  11 -14.981  42.998 -19.449
  119    H5     C  11           H5         C  11 -13.306  42.451 -17.745
  120    H6     C  11           H6         C  11 -11.869  43.355 -16.033
  121   1H5*    C  12          1H5*        C  12  -9.820  43.788 -11.920
  122   2H5*    C  12          2H5*        C  12 -10.612  44.852 -10.728
  123    H4*    C  12           H4*        C  12 -10.224  42.932  -9.493
  124    H3*    C  12           H3*        C  12  -8.386  45.085  -8.825
  125    H2*    C  12           H2*        C  12  -6.562  43.811  -9.594
  126   2HO*    C  12          2HO*        C  12  -5.966  42.307  -7.658
  127    H1*    C  12           H1*        C  12  -8.196  41.408  -8.678
  128   1H4     C  12          1H4         C  12  -2.852  38.393 -10.753
  129   2H4     C  12          2H4         C  12  -3.420  38.638 -12.389
  130    H5     C  12           H5         C  12  -5.383  40.001 -12.920
  131    H6     C  12           H6         C  12  -7.159  41.361 -11.985
  132   1H5*    U  13          1H5*        U  13 -11.238  41.170  -6.349
  133   2H5*    U  13          2H5*        U  13  -9.877  41.622  -7.402
  134    H4*    U  13           H4*        U  13 -12.155  41.287  -9.036
  135    H3*    U  13           H3*        U  13 -12.679  39.629  -6.907
  136    H2*    U  13           H2*        U  13 -10.465  38.644  -7.043
  137   2HO*    U  13          2HO*        U  13 -10.781  36.528  -7.817
  138    H1*    U  13           H1*        U  13 -11.113  38.423  -9.950
  139    H3     U  13           H3         U  13  -6.189  38.199  -7.824
  140    H5     U  13           H5         U  13  -7.256  36.444 -11.482
  141    H6     U  13           H6         U  13  -9.498  37.338 -11.148
  142   1H5*    C  14          1H5*        C  14 -13.324  41.916 -10.442
  143   2H5*    C  14          2H5*        C  14 -14.693  42.130 -11.562
  144    H4*    C  14           H4*        C  14 -12.628  41.977 -12.832
  145    H3*    C  14           H3*        C  14 -14.271  39.439 -13.027
  146    H2*    C  14           H2*        C  14 -12.699  38.675 -14.675
  147   2HO*    C  14          2HO*        C  14 -11.059  40.080 -15.427
  148    H1*    C  14           H1*        C  14 -10.507  39.471 -13.210
  149   1H4     C  14          1H4         C  14 -11.519  33.414 -11.367
  150   2H4     C  14          2H4         C  14 -12.918  33.904 -10.429
  151    H5     C  14           H5         C  14 -13.759  36.235 -10.421
  152    H6     C  14           H6         C  14 -13.444  38.421 -11.244
  153   1H5*    A  15          1H5*        A  15 -13.848  40.507 -17.279
  154   2H5*    A  15          2H5*        A  15 -15.241  39.747 -18.094
  155    H4*    A  15           H4*        A  15 -12.779  38.952 -18.614
  156    H3*    A  15           H3*        A  15 -15.031  37.008 -18.046
  157    H2*    A  15           H2*        A  15 -13.492  35.254 -18.630
  158   2HO*    A  15          2HO*        A  15 -11.515  35.738 -19.628
  159    H1*    A  15           H1*        A  15 -11.342  36.540 -17.317
  160    H8     A  15           H8         A  15 -14.095  36.873 -14.916
  161   1H6     A  15          1H6         A  15 -13.406  30.903 -13.437
  162   2H6     A  15          2H6         A  15 -14.161  32.416 -12.983
  163    H2     A  15           H2         A  15 -11.053  31.727 -17.167
  164   1H5*    C  16          1H5*        C  16 -13.925  35.805 -22.067
  165   2H5*    C  16          2H5*        C  16 -15.443  35.474 -22.948
  166    H4*    C  16           H4*        C  16 -13.800  33.563 -22.888
  167    H3*    C  16           H3*        C  16 -16.504  33.134 -21.593
  168    H2*    C  16           H2*        C  16 -15.899  30.836 -21.319
  169   2HO*    C  16          2HO*        C  16 -13.965  30.043 -22.290
  170    H1*    C  16           H1*        C  16 -13.282  31.443 -20.560
  171   1H4     C  16          1H4         C  16 -16.252  30.695 -14.997
  172   2H4     C  16          2H4         C  16 -17.287  32.075 -15.293
  173    H5     C  16           H5         C  16 -17.220  33.363 -17.374
  174    H6     C  16           H6         C  16 -16.143  33.565 -19.536
  175   1H5*    G  17          1H5*        G  17 -16.248  30.078 -24.773
  176   2H5*    G  17          2H5*        G  17 -17.903  29.739 -25.342
  177    H4*    G  17           H4*        G  17 -16.543  27.766 -24.431
  178    H3*    G  17           H3*        G  17 -19.235  28.424 -23.209
  179    H2*    G  17           H2*        G  17 -19.039  26.393 -21.951
  180   2HO*    G  17          2HO*        G  17 -17.271  24.964 -22.385
  181    H1*    G  17           H1*        G  17 -16.356  26.821 -21.363
  182    H8     G  17           H8         G  17 -18.051  30.168 -21.043
  183    H1     G  17           H1         G  17 -19.300  26.286 -16.127
  184   1H2     G  17          1H2         G  17 -18.658  24.217 -16.587
  185   2H2     G  17          2H2         G  17 -17.906  23.799 -18.109
  186   1H5*    G  18          1H5*        G  18 -19.553  24.224 -24.386
  187   2H5*    G  18          2H5*        G  18 -21.075  24.123 -25.312
  188    H4*    G  18           H4*        G  18 -21.017  22.358 -23.647
  189    H3*    G  18           H3*        G  18 -22.902  24.597 -22.872
  190    H2*    G  18           H2*        G  18 -23.620  23.219 -21.052
  191   2HO*    G  18          2HO*        G  18 -22.872  21.056 -20.890
  192    H1*    G  18           H1*        G  18 -21.050  22.449 -20.389
  193    H8     G  18           H8         G  18 -21.224  26.119 -21.489
  194    H1     G  18           H1         G  18 -22.747  25.182 -15.343
  195   1H2     G  18          1H2         G  18 -22.936  23.024 -14.910
  196   2H2     G  18          2H2         G  18 -22.678  21.803 -16.138
  197   1H5*    G  19          1H5*        G  19 -25.266  21.093 -22.713
  198   2H5*    G  19          2H5*        G  19 -26.948  21.462 -23.175
  199    H4*    G  19           H4*        G  19 -26.566  20.493 -20.836
  200    H3*    G  19           H3*        G  19 -27.995  23.149 -21.137
  201    H2*    G  19           H2*        G  19 -28.445  23.053 -18.786
  202   2HO*    G  19          2HO*        G  19 -28.227  21.174 -17.629
  203    H1*    G  19           H1*        G  19 -25.899  22.060 -18.164
  204    H8     G  19           H8         G  19 -25.410  24.827 -20.680
  205    H1     G  19           H1         G  19 -26.720  27.040 -14.822
  206   1H2     G  19          1H2         G  19 -27.419  25.404 -13.521
  207   2H2     G  19          2H2         G  19 -27.559  23.755 -14.087
  208   1H5*    U  20          1H5*        U  20 -30.286  24.274 -19.802
  209   2H5*    U  20          2H5*        U  20 -30.325  22.501 -19.659
  210    H4*    U  20           H4*        U  20 -32.806  23.876 -20.576
  211    H3*    U  20           H3*        U  20 -31.775  23.968 -17.739
  212    H2*    U  20           H2*        U  20 -33.970  23.580 -16.929
  213   2HO*    U  20          2HO*        U  20 -35.781  23.797 -18.282
  214    H1*    U  20           H1*        U  20 -34.676  21.787 -18.972
  215    H3     U  20           H3         U  20 -34.246  20.205 -14.474
  216    H5     U  20           H5         U  20 -31.083  18.738 -16.836
  217    H6     U  20           H6         U  20 -31.724  20.326 -18.565
  218   1H5*    G  21          1H5*        G  21 -31.863  27.668 -14.795
  219   2H5*    G  21          2H5*        G  21 -30.501  26.703 -15.427
  220    H4*    G  21           H4*        G  21 -32.683  25.906 -13.512
  221    H3*    G  21           H3*        G  21 -29.680  25.565 -13.577
  222    H2*    G  21           H2*        G  21 -29.918  23.696 -12.123
  223   2HO*    G  21          2HO*        G  21 -31.975  23.290 -11.115
  224    H1*    G  21           H1*        G  21 -32.326  22.834 -13.309
  225    H8     G  21           H8         G  21 -29.755  23.603 -15.966
  226    H1     G  21           H1         G  21 -29.024  17.828 -13.323
  227   1H2     G  21          1H2         G  21 -30.321  17.629 -11.541
  228   2H2     G  21          2H2         G  21 -31.362  18.924 -10.999
  229   1H5*    A  22          1H5*        A  22 -30.852  26.163  -9.551
  230   2H5*    A  22          2H5*        A  22 -29.671  26.906  -8.436
  231    H4*    A  22           H4*        A  22 -30.330  24.645  -7.696
  232    H3*    A  22           H3*        A  22 -27.489  24.937  -8.681
  233    H2*    A  22           H2*        A  22 -27.077  22.662  -8.062
  234   2HO*    A  22          2HO*        A  22 -28.216  22.666  -6.056
  235    H1*    A  22           H1*        A  22 -29.530  21.753  -9.003
  236    H8     A  22           H8         A  22 -27.666  24.366 -11.159
  237   1H6     A  22          1H6         A  22 -25.263  19.518 -14.140
  238   2H6     A  22          2H6         A  22 -25.382  21.262 -14.098
  239    H2     A  22           H2         A  22 -27.664  18.002 -10.676
  240   1H5*    C  23          1H5*        C  23 -23.818  25.448  -6.288
  241   2H5*    C  23          2H5*        C  23 -23.739  26.322  -7.842
  242    H4*    C  23           H4*        C  23 -24.189  23.382  -7.339
  243    H3*    C  23           H3*        C  23 -22.224  24.985  -8.971
  244    H2*    C  23           H2*        C  23 -22.081  23.220 -10.568
  245   2HO*    C  23          2HO*        C  23 -23.064  21.211 -10.172
  246    H1*    C  23           H1*        C  23 -24.740  22.787 -10.735
  247   1H4     C  23          1H4         C  23 -23.420  27.348 -15.027
  248   2H4     C  23          2H4         C  23 -23.871  28.560 -13.853
  249    H5     C  23           H5         C  23 -24.400  28.029 -11.527
  250    H6     C  23           H6         C  23 -24.607  26.244  -9.910
  251   1H5*    C  24          1H5*        C  24 -20.597  21.182  -8.834
  252   2H5*    C  24          2H5*        C  24 -18.825  21.198  -8.631
  253    H4*    C  24           H4*        C  24 -19.583  20.009 -10.693
  254    H3*    C  24           H3*        C  24 -17.959  22.534 -11.109
  255    H2*    C  24           H2*        C  24 -17.919  22.007 -13.451
  256   2HO*    C  24          2HO*        C  24 -18.751  20.032 -14.199
  257    H1*    C  24           H1*        C  24 -20.598  21.423 -13.545
  258   1H4     C  24          1H4         C  24 -20.009  27.665 -14.849
  259   2H4     C  24          2H4         C  24 -20.316  28.026 -13.168
  260    H5     C  24           H5         C  24 -20.497  26.297 -11.446
  261    H6     C  24           H6         C  24 -20.414  23.925 -11.032
  262   1H5*    G  25          1H5*        G  25 -15.987  19.851 -13.496
  263   2H5*    G  25          2H5*        G  25 -14.247  19.848 -13.108
  264    H4*    G  25           H4*        G  25 -14.709  20.156 -15.534
  265    H3*    G  25           H3*        G  25 -13.462  22.526 -14.119
  266    H2*    G  25           H2*        G  25 -13.211  23.543 -16.279
  267   2HO*    G  25          2HO*        G  25 -13.775  22.345 -18.164
  268    H1*    G  25           H1*        G  25 -15.760  22.876 -17.074
  269    H8     G  25           H8         G  25 -15.990  23.705 -13.404
  270    H1     G  25           H1         G  25 -15.523  28.913 -17.082
  271   1H2     G  25          1H2         G  25 -14.956  28.360 -19.141
  272   2H2     G  25          2H2         G  25 -14.709  26.694 -19.623
  273   1H5*    U  26          1H5*        U  26 -11.112  22.049 -17.347
  274   2H5*    U  26          2H5*        U  26  -9.378  22.150 -16.943
  275    H4*    U  26           H4*        U  26 -10.118  23.760 -18.716
  276    H3*    U  26           H3*        U  26  -9.124  24.973 -16.125
  277    H2*    U  26           H2*        U  26  -9.224  27.102 -17.218
  278   2HO*    U  26          2HO*        U  26  -9.639  27.206 -19.478
  279    H1*    U  26           H1*        U  26 -11.627  26.505 -18.520
  280    H3     U  26           H3         U  26 -12.353  29.921 -15.546
  281    H5     U  26           H5         U  26 -12.681  26.376 -13.293
  282    H6     U  26           H6         U  26 -11.848  25.155 -15.210
  283   1H5*    G  27          1H5*        G  27  -7.138  26.682 -19.309
  284   2H5*    G  27          2H5*        G  27  -5.396  26.889 -19.006
  285    H4*    G  27           H4*        G  27  -6.875  28.926 -19.737
  286    H3*    G  27           H3*        G  27  -4.526  28.777 -18.000
  287    H2*    G  27           H2*        G  27  -5.538  29.879 -16.223
  288   2HO*    G  27          2HO*        G  27  -5.698  32.172 -16.473
  289    H1*    G  27           H1*        G  27  -7.649  31.074 -18.040
  290    H8     G  27           H8         G  27  -8.140  28.487 -15.249
  291    H1     G  27           H1         G  27 -10.051  34.380 -13.634
  292   1H2     G  27          1H2         G  27  -9.441  35.841 -15.170
  293   2H2     G  27          2H2         G  27  -8.567  35.373 -16.614
  294   1H5*    G  28          1H5*        G  28  -5.530  31.512 -22.209
  295   2H5*    G  28          2H5*        G  28  -4.698  30.446 -23.375
  296    H4*    G  28           H4*        G  28  -4.549  32.662 -24.240
  297    H3*    G  28           H3*        G  28  -1.965  31.826 -22.901
  298    H2*    G  28           H2*        G  28  -0.980  33.922 -23.498
  299   2HO*    G  28          2HO*        G  28  -2.151  35.391 -24.829
  300    H1*    G  28           H1*        G  28  -3.122  35.414 -22.722
  301    H8     G  28           H8         G  28  -3.027  32.538 -20.279
  302    H1     G  28           H1         G  28   1.383  36.987 -19.050
  303   1H2     G  28          1H2         G  28   1.527  38.423 -20.719
  304   2H2     G  28          2H2         G  28   0.538  38.281 -22.158
  305   1H5*    U  29          1H5*        U  29  -0.583  33.725 -26.247
  306   2H5*    U  29          2H5*        U  29   0.355  32.555 -27.211
  307    H4*    U  29           H4*        U  29   1.641  34.590 -26.979
  308    H3*    U  29           H3*        U  29   2.677  32.388 -25.174
  309    H2*    U  29           H2*        U  29   4.505  33.815 -24.628
  310   2HO*    U  29          2HO*        U  29   4.780  35.807 -25.756
  311    H1*    U  29           H1*        U  29   2.934  36.077 -24.391
  312    H3     U  29           H3         U  29   4.322  35.069 -20.179
  313    H5     U  29           H5         U  29   1.170  32.375 -20.921
  314    H6     U  29           H6         U  29   1.139  33.145 -23.217
  315   1H5*    C  30          1H5*        C  30   6.122  33.511 -28.104
  316   2H5*    C  30          2H5*        C  30   7.222  32.106 -28.038
  317    H4*    C  30           H4*        C  30   8.153  34.435 -27.393
  318    H3*    C  30           H3*        C  30   8.461  32.066 -25.528
  319    H2*    C  30           H2*        C  30   9.861  33.462 -24.166
  320   2HO*    C  30          2HO*        C  30   9.655  35.363 -26.300
  321    H1*    C  30           H1*        C  30   8.169  35.655 -24.382
  322   1H4     C  30          1H4         C  30   6.516  32.589 -19.008
  323   2H4     C  30          2H4         C  30   5.387  31.613 -19.916
  324    H5     C  30           H5         C  30   5.222  31.698 -22.358
  325    H6     C  30           H6         C  30   6.109  32.722 -24.347
  326   1H5*    C  31          1H5*        C  31  12.453  33.528 -26.162
  327   2H5*    C  31          2H5*        C  31  13.618  32.201 -25.906
  328    H4*    C  31           H4*        C  31  13.611  34.294 -24.312
  329    H3*    C  31           H3*        C  31  13.691  31.451 -23.274
  330    H2*    C  31           H2*        C  31  13.983  32.380 -21.088
  331   2HO*    C  31          2HO*        C  31  14.397  34.633 -20.844
  332    H1*    C  31           H1*        C  31  12.186  34.506 -21.584
  333   1H4     C  31          1H4         C  31   9.214  29.888 -18.173
  334   2H4     C  31          2H4         C  31   8.409  29.415 -19.649
  335    H5     C  31           H5         C  31   8.973  30.353 -21.838
  336    H6     C  31           H6         C  31  10.409  31.903 -23.002
  337   1H5*    U  32          1H5*        U  32  16.850  33.161 -21.284
  338   2H5*    U  32          2H5*        U  32  18.329  32.219 -21.614
  339    H4*    U  32           H4*        U  32  18.039  32.609 -19.208
  340    H3*    U  32           H3*        U  32  17.595  29.740 -20.071
  341    H2*    U  32           H2*        U  32  17.427  29.154 -17.759
  342   2HO*    U  32          2HO*        U  32  17.968  30.648 -16.143
  343    H1*    U  32           H1*        U  32  15.890  31.375 -17.117
  344    H3     U  32           H3         U  32  13.453  27.445 -16.845
  345    H5     U  32           H5         U  32  12.914  28.913 -20.750
  346    H6     U  32           H6         U  32  14.673  30.525 -20.318
  347   1H5*    C  33          1H5*        C  33  19.965  29.109 -16.950
  348   2H5*    C  33          2H5*        C  33  21.464  28.309 -17.495
  349    H4*    C  33           H4*        C  33  20.609  27.071 -15.625
  350    H3*    C  33           H3*        C  33  19.951  25.673 -18.226
  351    H2*    C  33           H2*        C  33  19.080  23.867 -16.951
  352   2HO*    C  33          2HO*        C  33  19.466  23.761 -14.689
  353    H1*    C  33           H1*        C  33  17.994  25.510 -14.969
  354   1H4     C  33          1H4         C  33  12.839  24.401 -18.547
  355   2H4     C  33          2H4         C  33  13.787  24.382 -20.015
  356    H5     C  33           H5         C  33  16.209  24.797 -20.046
  357    H6     C  33           H6         C  33  18.122  25.313 -18.680
  358   1H5*    C  34          1H5*        C  34  22.053  23.093 -15.385
  359   2H5*    C  34          2H5*        C  34  22.887  21.753 -16.215
  360    H4*    C  34           H4*        C  34  21.063  21.240 -14.404
  361    H3*    C  34           H3*        C  34  21.107  19.897 -17.116
  362    H2*    C  34           H2*        C  34  19.285  18.546 -16.416
  363   2HO*    C  34          2HO*        C  34  20.013  17.990 -14.330
  364    H1*    C  34           H1*        C  34  18.057  20.619 -14.928
  365   1H4     C  34          1H4         C  34  14.708  20.118 -20.340
  366   2H4     C  34          2H4         C  34  15.898  21.081 -21.186
  367    H5     C  34           H5         C  34  18.002  21.817 -20.142
  368    H6     C  34           H6         C  34  19.302  21.783 -18.121
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   5.493  21.971 -12.407
    2   2H5*    G   1          2H5*        G   1   6.814  21.757 -13.557
    3    H4*    G   1           H4*        G   1   4.092  20.444 -13.777
    4    H3*    G   1           H3*        G   1   6.751  19.313 -12.842
    5    H2*    G   1           H2*        G   1   6.231  17.280 -13.944
    6   2HO*    G   1          2HO*        G   1   4.073  16.692 -14.357
    7    H1*    G   1           H1*        G   1   4.466  18.559 -15.851
    8    H8     G   1           H8         G   1   5.442  17.627 -18.061
    9    H1     G   1           H1         G   1  11.484  17.979 -16.005
   10   1H2     G   1          1H2         G   1  11.575  18.797 -13.965
   11   2H2     G   1          2H2         G   1  10.136  19.269 -13.084
   12   1H5*    G   2          1H5*        G   2   7.471  18.410  -9.880
   13   2H5*    G   2          2H5*        G   2   7.124  19.539  -8.541
   14    H4*    G   2           H4*        G   2   9.515  19.358  -8.796
   15    H3*    G   2           H3*        G   2   8.461  21.954  -9.955
   16    H2*    G   2           H2*        G   2  10.725  22.613 -10.322
   17   2HO*    G   2          2HO*        G   2  12.442  21.378  -9.473
   18    H1*    G   2           H1*        G   2  11.503  20.128 -11.257
   19    H8     G   2           H8         G   2   8.087  20.729 -12.740
   20    H1     G   2           H1         G   2  12.629  24.178 -15.608
   21   1H2     G   2          1H2         G   2  14.497  24.146 -14.441
   22   2H2     G   2          2H2         G   2  14.647  23.252 -12.944
   23   1H5*    A   3          1H5*        A   3  11.417  23.499  -7.550
   24   2H5*    A   3          2H5*        A   3  10.874  25.056  -6.868
   25    H4*    A   3           H4*        A   3  12.899  25.078  -8.472
   26    H3*    A   3           H3*        A   3  10.493  26.825  -9.042
   27    H2*    A   3           H2*        A   3  11.712  27.782 -10.811
   28   2HO*    A   3          2HO*        A   3  14.010  27.380 -11.003
   29    H1*    A   3           H1*        A   3  13.027  25.330 -11.465
   30    H8     A   3           H8         A   3   9.328  24.744 -11.302
   31   1H6     A   3          1H6         A   3   9.082  27.124 -17.046
   32   2H6     A   3          2H6         A   3   8.178  26.258 -15.820
   33    H2     A   3           H2         A   3  13.146  27.905 -15.344
   34   1H5*    G   4          1H5*        G   4  14.096  29.517  -8.735
   35   2H5*    G   4          2H5*        G   4  13.452  31.044  -8.078
   36    H4*    G   4           H4*        G   4  14.781  31.305 -10.188
   37    H3*    G   4           H3*        G   4  11.846  32.026 -10.427
   38    H2*    G   4           H2*        G   4  12.437  32.970 -12.555
   39   2HO*    G   4          2HO*        G   4  14.655  33.133 -13.149
   40    H1*    G   4           H1*        G   4  14.187  30.837 -13.140
   41    H8     G   4           H8         G   4  10.985  29.405 -11.760
   42    H1     G   4           H1         G   4  10.472  31.347 -17.842
   43   1H2     G   4          1H2         G   4  12.253  32.538 -18.409
   44   2H2     G   4          2H2         G   4  13.557  32.846 -17.289
   45   1H5*    G   5          1H5*        G   5  14.376  35.485 -11.410
   46   2H5*    G   5          2H5*        G   5  13.508  36.967 -10.928
   47    H4*    G   5           H4*        G   5  14.355  36.886 -13.328
   48    H3*    G   5           H3*        G   5  11.369  37.205 -12.920
   49    H2*    G   5           H2*        G   5  11.262  37.661 -15.269
   50   2HO*    G   5          2HO*        G   5  13.221  37.962 -16.460
   51    H1*    G   5           H1*        G   5  13.242  35.725 -15.862
   52    H8     G   5           H8         G   5  10.808  33.980 -13.615
   53    H1     G   5           H1         G   5   8.374  34.922 -19.457
   54   1H2     G   5          1H2         G   5   9.615  36.346 -20.605
   55   2H2     G   5          2H2         G   5  11.057  37.075 -19.932
   56   1H5*    A   6          1H5*        A   6  12.645  40.527 -15.396
   57   2H5*    A   6          2H5*        A   6  11.925  41.975 -14.648
   58    H4*    A   6           H4*        A   6  11.497  41.986 -17.039
   59    H3*    A   6           H3*        A   6   9.015  41.270 -15.452
   60    H2*    A   6           H2*        A   6   7.798  41.435 -17.512
   61   2HO*    A   6          2HO*        A   6   8.901  42.185 -19.409
   62    H1*    A   6           H1*        A   6   9.768  40.128 -18.972
   63    H8     A   6           H8         A   6   9.338  38.374 -15.629
   64   1H6     A   6          1H6         A   6   4.536  35.417 -18.208
   65   2H6     A   6          2H6         A   6   5.600  35.491 -16.821
   66    H2     A   6           H2         A   6   5.865  38.681 -20.993
   67   1H5*    C   7          1H5*        C   7   8.241  44.645 -18.105
   68   2H5*    C   7          2H5*        C   7   7.092  45.752 -17.313
   69    H4*    C   7           H4*        C   7   6.469  44.980 -19.648
   70    H3*    C   7           H3*        C   7   4.563  44.452 -17.350
   71    H2*    C   7           H2*        C   7   3.016  43.534 -18.882
   72   2HO*    C   7          2HO*        C   7   3.316  43.811 -21.149
   73    H1*    C   7           H1*        C   7   4.944  42.319 -20.505
   74   1H4     C   7          1H4         C   7   2.525  37.680 -16.847
   75   2H4     C   7          2H4         C   7   3.640  38.096 -15.566
   76    H5     C   7           H5         C   7   5.119  40.033 -15.671
   77    H6     C   7           H6         C   7   5.822  41.906 -17.032
   78   1H5*    A   8          1H5*        A   8   0.215  47.206 -18.298
   79   2H5*    A   8          2H5*        A   8   0.564  45.848 -17.194
   80    H4*    A   8           H4*        A   8  -0.539  45.770 -19.994
   81    H3*    A   8           H3*        A   8  -1.430  44.670 -17.337
   82    H2*    A   8           H2*        A   8  -2.514  42.864 -18.442
   83   2HO*    A   8          2HO*        A   8  -2.148  44.501 -20.747
   84    H1*    A   8           H1*        A   8  -0.520  42.481 -20.314
   85    H8     A   8           H8         A   8   1.404  43.100 -17.266
   86   1H6     A   8          1H6         A   8   0.053  37.315 -15.463
   87   2H6     A   8          2H6         A   8   1.067  38.706 -15.158
   88    H2     A   8           H2         A   8  -2.575  38.394 -18.934
   89   1H5*    U   9          1H5*        U   9  -5.233  46.046 -19.003
   90   2H5*    U   9          2H5*        U   9  -6.526  46.359 -17.811
   91    H4*    U   9           H4*        U   9  -6.664  44.183 -19.196
   92    H3*    U   9           H3*        U   9  -7.619  44.628 -16.606
   93    H2*    U   9           H2*        U   9  -5.977  43.341 -15.514
   94   2HO*    U   9          2HO*        U   9  -7.955  42.142 -15.328
   95    H1*    U   9           H1*        U   9  -5.751  41.473 -17.860
   96    H3     U   9           H3         U   9  -2.634  39.206 -15.579
   97    H5     U   9           H5         U   9  -1.453  43.194 -15.141
   98    H6     U   9           H6         U   9  -3.489  43.859 -16.284
   99   1H5*    C  10          1H5*        C  10 -11.716  41.399 -18.504
  100   2H5*    C  10          2H5*        C  10 -10.292  41.680 -17.475
  101    H4*    C  10           H4*        C  10 -10.685  39.800 -19.663
  102    H3*    C  10           H3*        C  10  -9.225  39.835 -17.163
  103    H2*    C  10           H2*        C  10  -7.208  40.505 -18.199
  104   2HO*    C  10          2HO*        C  10  -5.963  38.760 -18.776
  105    H1*    C  10           H1*        C  10  -8.198  39.136 -20.700
  106   1H4     C  10          1H4         C  10  -3.224  41.920 -23.536
  107   2H4     C  10          2H4         C  10  -3.311  43.304 -22.472
  108    H5     C  10           H5         C  10  -4.965  43.493 -20.661
  109    H6     C  10           H6         C  10  -6.823  42.380 -19.582
  110   1H5*    C  11          1H5*        C  11  -7.690  36.488 -15.165
  111   2H5*    C  11          2H5*        C  11  -8.760  37.278 -13.976
  112    H4*    C  11           H4*        C  11  -6.464  38.645 -15.396
  113    H3*    C  11           H3*        C  11  -6.547  37.189 -12.778
  114    H2*    C  11           H2*        C  11  -6.082  39.119 -11.586
  115   2HO*    C  11          2HO*        C  11  -4.230  40.262 -11.939
  116    H1*    C  11           H1*        C  11  -6.029  40.846 -14.072
  117   1H4     C  11          1H4         C  11  -8.699  44.142  -9.061
  118   2H4     C  11          2H4         C  11  -9.976  44.370 -10.232
  119    H5     C  11           H5         C  11 -10.029  43.198 -12.390
  120    H6     C  11           H6         C  11  -8.862  41.614 -13.795
  121   1H5*    C  12          1H5*        C  12  -5.275  37.423 -11.022
  122   2H5*    C  12          2H5*        C  12  -4.136  36.242 -10.324
  123    H4*    C  12           H4*        C  12  -5.888  34.815  -9.634
  124    H3*    C  12           H3*        C  12  -7.384  35.410 -11.831
  125    H2*    C  12           H2*        C  12  -7.681  37.692 -11.062
  126   2HO*    C  12          2HO*        C  12  -9.702  36.648 -11.664
  127    H1*    C  12           H1*        C  12  -8.465  36.381  -8.423
  128   1H4     C  12          1H4         C  12  -7.764  42.438  -6.131
  129   2H4     C  12          2H4         C  12  -8.911  42.867  -7.378
  130    H5     C  12           H5         C  12  -9.633  41.297  -9.117
  131    H6     C  12           H6         C  12  -9.389  39.050  -9.961
  132   1H5*    U  13          1H5*        U  13 -10.197  35.707  -8.850
  133   2H5*    U  13          2H5*        U  13 -11.395  34.400  -8.718
  134    H4*    U  13           H4*        U  13 -12.711  36.256 -10.265
  135    H3*    U  13           H3*        U  13 -10.937  38.003  -9.597
  136    H2*    U  13           H2*        U  13 -10.558  37.291  -7.390
  137   2HO*    U  13          2HO*        U  13 -11.399  38.789  -5.985
  138    H1*    U  13           H1*        U  13 -13.392  37.031  -6.535
  139    H3     U  13           H3         U  13  -9.633  34.775  -4.178
  140    H5     U  13           H5         U  13 -12.459  32.180  -5.924
  141    H6     U  13           H6         U  13 -13.345  34.053  -7.111
  142   1H5*    C  14          1H5*        C  14 -15.275  39.547 -12.243
  143   2H5*    C  14          2H5*        C  14 -14.378  38.343 -11.281
  144    H4*    C  14           H4*        C  14 -12.932  40.134 -13.220
  145    H3*    C  14           H3*        C  14 -14.337  37.535 -13.906
  146    H2*    C  14           H2*        C  14 -12.597  37.180 -15.538
  147   2HO*    C  14          2HO*        C  14 -11.589  39.726 -14.694
  148    H1*    C  14           H1*        C  14 -10.626  37.683 -13.713
  149   1H4     C  14          1H4         C  14 -12.022  31.488 -12.971
  150   2H4     C  14          2H4         C  14 -13.360  31.885 -11.919
  151    H5     C  14           H5         C  14 -14.061  34.198 -11.488
  152    H6     C  14           H6         C  14 -13.628  36.502 -11.971
  153   1H5*    A  15          1H5*        A  15 -14.220  39.287 -18.142
  154   2H5*    A  15          2H5*        A  15 -15.638  38.496 -18.885
  155    H4*    A  15           H4*        A  15 -13.207  38.005 -19.777
  156    H3*    A  15           H3*        A  15 -15.284  35.865 -19.255
  157    H2*    A  15           H2*        A  15 -13.727  34.230 -20.090
  158   2HO*    A  15          2HO*        A  15 -11.741  34.939 -21.032
  159    H1*    A  15           H1*        A  15 -11.569  35.320 -18.739
  160    H8     A  15           H8         A  15 -14.298  35.728 -16.301
  161   1H6     A  15          1H6         A  15 -13.936  29.677 -15.074
  162   2H6     A  15          2H6         A  15 -14.609  31.204 -14.555
  163    H2     A  15           H2         A  15 -11.515  30.528 -18.755
  164   1H5*    C  16          1H5*        C  16 -14.112  34.855 -23.171
  165   2H5*    C  16          2H5*        C  16 -15.587  34.597 -24.145
  166    H4*    C  16           H4*        C  16 -14.026  32.657 -24.188
  167    H3*    C  16           H3*        C  16 -16.692  32.176 -22.833
  168    H2*    C  16           H2*        C  16 -16.095  29.858 -22.706
  169   2HO*    C  16          2HO*        C  16 -14.185  29.117 -23.745
  170    H1*    C  16           H1*        C  16 -13.494  30.405 -21.908
  171   1H4     C  16          1H4         C  16 -16.568  29.603 -16.402
  172   2H4     C  16          2H4         C  16 -17.500  31.062 -16.646
  173    H5     C  16           H5         C  16 -17.337  32.419 -18.676
  174    H6     C  16           H6         C  16 -16.231  32.632 -20.820
  175   1H5*    G  17          1H5*        G  17 -16.817  29.135 -26.130
  176   2H5*    G  17          2H5*        G  17 -18.558  28.877 -26.418
  177    H4*    G  17           H4*        G  17 -17.160  26.865 -25.629
  178    H3*    G  17           H3*        G  17 -19.629  27.703 -24.088
  179    H2*    G  17           H2*        G  17 -19.352  25.708 -22.782
  180   2HO*    G  17          2HO*        G  17 -17.739  24.183 -23.364
  181    H1*    G  17           H1*        G  17 -16.627  26.064 -22.513
  182    H8     G  17           H8         G  17 -18.188  29.495 -22.282
  183    H1     G  17           H1         G  17 -18.918  26.062 -16.946
  184   1H2     G  17          1H2         G  17 -18.372  23.945 -17.305
  185   2H2     G  17          2H2         G  17 -17.809  23.387 -18.863
  186   1H5*    G  18          1H5*        G  18 -20.199  23.499 -24.821
  187   2H5*    G  18          2H5*        G  18 -21.828  23.352 -25.534
  188    H4*    G  18           H4*        G  18 -21.564  21.758 -23.710
  189    H3*    G  18           H3*        G  18 -23.352  24.090 -22.968
  190    H2*    G  18           H2*        G  18 -23.852  22.923 -20.945
  191   2HO*    G  18          2HO*        G  18 -23.015  20.762 -20.660
  192    H1*    G  18           H1*        G  18 -21.223  22.134 -20.532
  193    H8     G  18           H8         G  18 -21.274  25.704 -21.817
  194    H1     G  18           H1         G  18 -22.604  25.239 -15.575
  195   1H2     G  18          1H2         G  18 -22.917  23.126 -15.010
  196   2H2     G  18          2H2         G  18 -22.805  21.824 -16.176
  197   1H5*    G  19          1H5*        G  19 -25.685  20.789 -21.994
  198   2H5*    G  19          2H5*        G  19 -27.390  21.108 -22.411
  199    H4*    G  19           H4*        G  19 -26.892  20.575 -19.962
  200    H3*    G  19           H3*        G  19 -28.217  23.218 -20.647
  201    H2*    G  19           H2*        G  19 -28.502  23.562 -18.303
  202   2HO*    G  19          2HO*        G  19 -28.449  21.910 -16.868
  203    H1*    G  19           H1*        G  19 -25.993  22.455 -17.662
  204    H8     G  19           H8         G  19 -25.417  24.807 -20.535
  205    H1     G  19           H1         G  19 -26.352  27.895 -15.015
  206   1H2     G  19          1H2         G  19 -27.098  26.505 -13.476
  207   2H2     G  19          2H2         G  19 -27.373  24.809 -13.802
  208   1H5*    U  20          1H5*        U  20 -32.956  23.550 -21.114
  209   2H5*    U  20          2H5*        U  20 -31.722  24.837 -21.154
  210    H4*    U  20           H4*        U  20 -33.453  25.599 -19.712
  211    H3*    U  20           H3*        U  20 -31.122  24.521 -18.114
  212    H2*    U  20           H2*        U  20 -32.261  25.038 -16.112
  213   2HO*    U  20          2HO*        U  20 -34.102  26.433 -16.139
  214    H1*    U  20           H1*        U  20 -34.834  24.503 -17.089
  215    H3     U  20           H3         U  20 -34.546  21.430 -13.800
  216    H5     U  20           H5         U  20 -31.600  20.190 -16.539
  217    H6     U  20           H6         U  20 -32.052  22.186 -17.833
  218   1H5*    G  21          1H5*        G  21 -32.003  28.002 -15.931
  219   2H5*    G  21          2H5*        G  21 -30.445  28.643 -15.351
  220    H4*    G  21           H4*        G  21 -32.134  27.806 -13.590
  221    H3*    G  21           H3*        G  21 -29.274  26.864 -13.681
  222    H2*    G  21           H2*        G  21 -29.642  25.463 -11.799
  223   2HO*    G  21          2HO*        G  21 -31.541  25.677 -10.542
  224    H1*    G  21           H1*        G  21 -32.192  24.669 -12.530
  225    H8     G  21           H8         G  21 -29.867  24.673 -15.551
  226    H1     G  21           H1         G  21 -29.493  19.369 -12.006
  227   1H2     G  21          1H2         G  21 -30.620  19.623 -10.119
  228   2H2     G  21          2H2         G  21 -31.463  21.103  -9.731
  229   1H5*    A  22          1H5*        A  22 -30.185  27.973  -9.622
  230   2H5*    A  22          2H5*        A  22 -28.782  28.782  -8.867
  231    H4*    A  22           H4*        A  22 -29.566  26.822  -7.560
  232    H3*    A  22           H3*        A  22 -26.833  26.635  -8.839
  233    H2*    A  22           H2*        A  22 -26.508  24.498  -7.845
  234   2HO*    A  22          2HO*        A  22 -27.456  25.057  -5.777
  235    H1*    A  22           H1*        A  22 -29.070  23.605  -8.338
  236    H8     A  22           H8         A  22 -27.349  25.691 -11.112
  237   1H6     A  22          1H6         A  22 -25.609  20.258 -13.473
  238   2H6     A  22          2H6         A  22 -25.634  21.990 -13.721
  239    H2     A  22           H2         A  22 -27.622  19.509  -9.546
  240   1H5*    C  23          1H5*        C  23 -22.817  26.045  -6.694
  241   2H5*    C  23          2H5*        C  23 -23.456  26.830  -8.162
  242    H4*    C  23           H4*        C  23 -23.651  23.870  -7.547
  243    H3*    C  23           H3*        C  23 -21.714  25.403  -9.284
  244    H2*    C  23           H2*        C  23 -21.727  23.611 -10.864
  245   2HO*    C  23          2HO*        C  23 -22.802  21.664 -10.396
  246    H1*    C  23           H1*        C  23 -24.411  23.317 -10.887
  247   1H4     C  23          1H4         C  23 -23.044  27.731 -15.314
  248   2H4     C  23          2H4         C  23 -23.368  28.990 -14.143
  249    H5     C  23           H5         C  23 -23.816  28.523 -11.777
  250    H6     C  23           H6         C  23 -24.044  26.776 -10.125
  251   1H5*    C  24          1H5*        C  24 -20.309  21.395  -9.269
  252   2H5*    C  24          2H5*        C  24 -18.537  21.394  -9.058
  253    H4*    C  24           H4*        C  24 -19.355  20.133 -11.074
  254    H3*    C  24           H3*        C  24 -17.560  22.525 -11.543
  255    H2*    C  24           H2*        C  24 -17.523  21.943 -13.868
  256   2HO*    C  24          2HO*        C  24 -18.531  19.988 -14.564
  257    H1*    C  24           H1*        C  24 -20.232  21.439 -13.989
  258   1H4     C  24          1H4         C  24 -19.355  27.569 -15.656
  259   2H4     C  24          2H4         C  24 -19.809  28.034 -14.035
  260    H5     C  24           H5         C  24 -20.179  26.411 -12.230
  261    H6     C  24           H6         C  24 -20.161  24.071 -11.674
  262   1H5*    G  25          1H5*        G  25 -15.333  19.292 -13.546
  263   2H5*    G  25          2H5*        G  25 -13.626  19.533 -13.083
  264    H4*    G  25           H4*        G  25 -14.000  19.414 -15.554
  265    H3*    G  25           H3*        G  25 -12.950  22.027 -14.442
  266    H2*    G  25           H2*        G  25 -12.711  22.803 -16.697
  267   2HO*    G  25          2HO*        G  25 -13.084  21.369 -18.446
  268    H1*    G  25           H1*        G  25 -15.170  21.871 -17.490
  269    H8     G  25           H8         G  25 -15.479  23.095 -13.909
  270    H1     G  25           H1         G  25 -15.597  27.824 -18.208
  271   1H2     G  25          1H2         G  25 -15.011  27.071 -20.198
  272   2H2     G  25          2H2         G  25 -14.608  25.390 -20.479
  273   1H5*    U  26          1H5*        U  26 -10.242  21.040 -17.635
  274   2H5*    U  26          2H5*        U  26  -8.586  21.255 -17.007
  275    H4*    U  26           H4*        U  26  -8.878  22.465 -19.118
  276    H3*    U  26           H3*        U  26  -8.716  24.301 -16.713
  277    H2*    U  26           H2*        U  26  -8.605  26.124 -18.274
  278   2HO*    U  26          2HO*        U  26  -8.452  25.711 -20.510
  279    H1*    U  26           H1*        U  26 -10.666  25.135 -19.815
  280    H3     U  26           H3         U  26 -12.528  28.642 -17.587
  281    H5     U  26           H5         U  26 -12.263  25.602 -14.685
  282    H6     U  26           H6         U  26 -11.023  24.274 -16.280
  283   1H5*    G  27          1H5*        G  27  -5.689  25.467 -19.418
  284   2H5*    G  27          2H5*        G  27  -4.222  26.053 -18.586
  285    H4*    G  27           H4*        G  27  -5.445  27.589 -20.290
  286    H3*    G  27           H3*        G  27  -3.901  28.226 -17.982
  287    H2*    G  27           H2*        G  27  -5.522  29.299 -16.752
  288   2HO*    G  27          2HO*        G  27  -4.452  31.137 -17.594
  289    H1*    G  27           H1*        G  27  -7.311  29.953 -19.071
  290    H8     G  27           H8         G  27  -8.043  27.112 -16.656
  291    H1     G  27           H1         G  27 -10.833  32.612 -15.000
  292   1H2     G  27          1H2         G  27 -10.054  34.271 -16.233
  293   2H2     G  27          2H2         G  27  -8.850  34.022 -17.478
  294   1H5*    G  28          1H5*        G  28  -4.678  32.386 -19.859
  295   2H5*    G  28          2H5*        G  28  -4.722  31.236 -21.220
  296    H4*    G  28           H4*        G  28  -4.852  33.149 -22.441
  297    H3*    G  28           H3*        G  28  -1.902  32.837 -21.907
  298    H2*    G  28           H2*        G  28  -1.409  34.986 -22.811
  299   2HO*    G  28          2HO*        G  28  -3.027  36.190 -23.882
  300    H1*    G  28           H1*        G  28  -3.403  36.312 -21.548
  301    H8     G  28           H8         G  28  -2.659  33.695 -19.009
  302    H1     G  28           H1         G  28   1.964  38.115 -19.309
  303   1H2     G  28          1H2         G  28   1.716  39.372 -21.107
  304   2H2     G  28          2H2         G  28   0.412  39.119 -22.248
  305   1H5*    U  29          1H5*        U  29  -1.390  34.477 -25.522
  306   2H5*    U  29          2H5*        U  29  -0.632  33.255 -26.578
  307    H4*    U  29           H4*        U  29   0.682  35.268 -26.693
  308    H3*    U  29           H3*        U  29   1.999  33.202 -24.911
  309    H2*    U  29           H2*        U  29   3.892  34.652 -24.791
  310   2HO*    U  29          2HO*        U  29   2.527  36.285 -26.707
  311    H1*    U  29           H1*        U  29   2.364  36.912 -24.390
  312    H3     U  29           H3         U  29   4.387  35.965 -20.407
  313    H5     U  29           H5         U  29   1.061  33.385 -20.566
  314    H6     U  29           H6         U  29   0.704  34.091 -22.850
  315   1H5*    C  30          1H5*        C  30   4.928  34.266 -28.051
  316   2H5*    C  30          2H5*        C  30   6.040  32.884 -28.255
  317    H4*    C  30           H4*        C  30   7.074  35.129 -27.579
  318    H3*    C  30           H3*        C  30   7.528  32.706 -25.818
  319    H2*    C  30           H2*        C  30   9.106  34.048 -24.603
  320   2HO*    C  30          2HO*        C  30   9.602  36.182 -25.391
  321    H1*    C  30           H1*        C  30   7.444  36.300 -24.643
  322   1H4     C  30          1H4         C  30   6.444  33.380 -19.033
  323   2H4     C  30          2H4         C  30   5.211  32.384 -19.771
  324    H5     C  30           H5         C  30   4.751  32.403 -22.178
  325    H6     C  30           H6         C  30   5.385  33.376 -24.291
  326   1H5*    C  31          1H5*        C  31  11.438  33.940 -26.807
  327   2H5*    C  31          2H5*        C  31  12.542  32.538 -26.785
  328    H4*    C  31           H4*        C  31  12.920  34.460 -25.080
  329    H3*    C  31           H3*        C  31  12.697  31.590 -24.141
  330    H2*    C  31           H2*        C  31  13.361  32.395 -21.982
  331   2HO*    C  31          2HO*        C  31  14.105  34.560 -21.746
  332    H1*    C  31           H1*        C  31  11.807  34.751 -22.244
  333   1H4     C  31          1H4         C  31   8.589  30.644 -18.509
  334   2H4     C  31          2H4         C  31   7.697  30.113 -19.917
  335    H5     C  31           H5         C  31   8.238  30.846 -22.199
  336    H6     C  31           H6         C  31   9.734  32.208 -23.526
  337   1H5*    U  32          1H5*        U  32  16.319  32.403 -22.358
  338   2H5*    U  32          2H5*        U  32  17.476  31.218 -23.027
  339    H4*    U  32           H4*        U  32  17.628  31.151 -20.626
  340    H3*    U  32           H3*        U  32  16.007  28.802 -21.642
  341    H2*    U  32           H2*        U  32  16.037  27.963 -19.405
  342   2HO*    U  32          2HO*        U  32  17.421  28.852 -17.849
  343    H1*    U  32           H1*        U  32  15.726  30.526 -18.275
  344    H3     U  32           H3         U  32  12.087  27.932 -17.228
  345    H5     U  32           H5         U  32  11.279  29.497 -21.046
  346    H6     U  32           H6         U  32  13.555  30.323 -21.118
  347   1H5*    C  33          1H5*        C  33  19.549  27.397 -19.392
  348   2H5*    C  33          2H5*        C  33  19.967  25.736 -19.895
  349    H4*    C  33           H4*        C  33  19.404  26.245 -17.385
  350    H3*    C  33           H3*        C  33  18.141  23.939 -18.885
  351    H2*    C  33           H2*        C  33  17.212  23.249 -16.798
  352   2HO*    C  33          2HO*        C  33  17.864  24.348 -14.858
  353    H1*    C  33           H1*        C  33  16.675  25.890 -15.987
  354   1H4     C  33          1H4         C  33  10.954  24.256 -18.163
  355   2H4     C  33          2H4         C  33  11.621  23.503 -19.595
  356    H5     C  33           H5         C  33  14.022  23.434 -20.058
  357    H6     C  33           H6         C  33  16.210  24.086 -19.232
  358   1H5*    C  34          1H5*        C  34  19.768  22.521 -15.144
  359   2H5*    C  34          2H5*        C  34  20.378  20.863 -15.376
  360    H4*    C  34           H4*        C  34  18.563  21.345 -13.540
  361    H3*    C  34           H3*        C  34  18.288  19.074 -15.523
  362    H2*    C  34           H2*        C  34  16.371  18.369 -14.290
  363   2HO*    C  34          2HO*        C  34  17.422  18.802 -12.181
  364    H1*    C  34           H1*        C  34  15.495  21.010 -13.807
  365   1H4     C  34          1H4         C  34  11.952  18.558 -18.555
  366   2H4     C  34          2H4         C  34  13.069  19.243 -19.715
  367    H5     C  34           H5         C  34  15.174  20.336 -19.057
  368    H6     C  34           H6         C  34  16.557  20.964 -17.186
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1   0.684  18.651 -10.770
    2   2H5*    G   1          2H5*        G   1   1.544  18.455 -12.297
    3    H4*    G   1           H4*        G   1   2.433  17.331  -9.632
    4    H3*    G   1           H3*        G   1   3.381  19.753 -11.180
    5    H2*    G   1           H2*        G   1   5.590  19.354 -10.345
    6   2HO*    G   1          2HO*        G   1   5.968  17.871  -8.709
    7    H1*    G   1           H1*        G   1   5.497  16.645 -10.802
    8    H8     G   1           H8         G   1   3.775  17.539 -13.852
    9    H1     G   1           H1         G   1   9.722  19.890 -13.980
   10   1H2     G   1          1H2         G   1  10.617  19.840 -11.958
   11   2H2     G   1          2H2         G   1   9.746  19.232 -10.568
   12   1H5*    G   2          1H5*        G   2   5.001  20.335  -7.255
   13   2H5*    G   2          2H5*        G   2   4.723  22.026  -6.759
   14    H4*    G   2           H4*        G   2   7.105  21.298  -6.564
   15    H3*    G   2           H3*        G   2   6.498  23.497  -8.558
   16    H2*    G   2           H2*        G   2   8.855  23.728  -8.905
   17   2HO*    G   2          2HO*        G   2  10.312  22.469  -7.626
   18    H1*    G   2           H1*        G   2   9.290  21.043  -9.112
   19    H8     G   2           H8         G   2   5.931  21.500 -10.735
   20    H1     G   2           H1         G   2  10.712  23.680 -14.373
   21   1H2     G   2          1H2         G   2  12.587  23.812 -13.201
   22   2H2     G   2          2H2         G   2  12.661  23.343 -11.517
   23   1H5*    A   3          1H5*        A   3   9.647  25.029  -6.737
   24   2H5*    A   3          2H5*        A   3   9.456  26.761  -6.362
   25    H4*    A   3           H4*        A   3  11.390  26.075  -7.930
   26    H3*    A   3           H3*        A   3   9.360  28.133  -8.819
   27    H2*    A   3           H2*        A   3  10.612  28.451 -10.766
   28   2HO*    A   3          2HO*        A   3  12.807  27.834 -10.913
   29    H1*    A   3           H1*        A   3  11.535  25.715 -10.843
   30    H8     A   3           H8         A   3   7.846  25.583 -10.817
   31   1H6     A   3          1H6         A   3   7.950  27.170 -16.822
   32   2H6     A   3          2H6         A   3   6.954  26.557 -15.519
   33    H2     A   3           H2         A   3  12.038  27.837 -15.110
   34   1H5*    G   4          1H5*        G   4  13.251  30.004  -9.222
   35   2H5*    G   4          2H5*        G   4  13.088  31.652  -8.565
   36    H4*    G   4           H4*        G   4  14.142  31.753 -10.745
   37    H3*    G   4           H3*        G   4  11.244  32.622 -10.927
   38    H2*    G   4           H2*        G   4  11.788  33.361 -13.147
   39   2HO*    G   4          2HO*        G   4  13.976  33.319 -13.854
   40    H1*    G   4           H1*        G   4  13.316  31.070 -13.661
   41    H8     G   4           H8         G   4  10.142  30.052 -11.870
   42    H1     G   4           H1         G   4   9.294  31.321 -18.092
   43   1H2     G   4          1H2         G   4  11.109  32.290 -18.916
   44   2H2     G   4          2H2         G   4  12.518  32.609 -17.937
   45   1H5*    G   5          1H5*        G   5  13.929  35.941 -12.195
   46   2H5*    G   5          2H5*        G   5  13.032  37.476 -12.033
   47    H4*    G   5           H4*        G   5  14.001  36.773 -14.362
   48    H3*    G   5           H3*        G   5  11.114  37.642 -14.074
   49    H2*    G   5           H2*        G   5  11.040  37.635 -16.467
   50   2HO*    G   5          2HO*        G   5  12.979  37.417 -17.676
   51    H1*    G   5           H1*        G   5  12.674  35.328 -16.637
   52    H8     G   5           H8         G   5  10.116  34.297 -14.170
   53    H1     G   5           H1         G   5   7.534  34.893 -19.992
   54   1H2     G   5          1H2         G   5   8.903  35.962 -21.354
   55   2H2     G   5          2H2         G   5  10.471  36.543 -20.833
   56   1H5*    A   6          1H5*        A   6  12.637  40.063 -17.128
   57   2H5*    A   6          2H5*        A   6  12.365  41.754 -16.635
   58    H4*    A   6           H4*        A   6  11.649  41.574 -18.901
   59    H3*    A   6           H3*        A   6   9.229  41.411 -17.082
   60    H2*    A   6           H2*        A   6   7.884  41.511 -19.059
   61   2HO*    A   6          2HO*        A   6   8.885  41.883 -21.096
   62    H1*    A   6           H1*        A   6   9.485  39.749 -20.450
   63    H8     A   6           H8         A   6   9.095  38.641 -16.809
   64   1H6     A   6          1H6         A   6   3.826  35.931 -18.659
   65   2H6     A   6          2H6         A   6   4.963  36.110 -17.341
   66    H2     A   6           H2         A   6   5.416  38.446 -22.033
   67   1H5*    C   7          1H5*        C   7   8.570  44.359 -20.145
   68   2H5*    C   7          2H5*        C   7   7.604  45.693 -19.470
   69    H4*    C   7           H4*        C   7   6.674  44.592 -21.563
   70    H3*    C   7           H3*        C   7   4.979  44.579 -19.053
   71    H2*    C   7           H2*        C   7   3.205  43.707 -20.393
   72   2HO*    C   7          2HO*        C   7   3.500  43.551 -22.692
   73    H1*    C   7           H1*        C   7   4.861  41.990 -21.811
   74   1H4     C   7          1H4         C   7   2.073  38.572 -17.183
   75   2H4     C   7          2H4         C   7   3.363  38.994 -16.085
   76    H5     C   7           H5         C   7   5.121  40.579 -16.649
   77    H6     C   7           H6         C   7   5.995  42.039 -18.391
   78   1H5*    A   8          1H5*        A   8   2.459  46.186 -22.285
   79   2H5*    A   8          2H5*        A   8   1.395  47.394 -21.517
   80    H4*    A   8           H4*        A   8   0.263  45.449 -22.736
   81    H3*    A   8           H3*        A   8  -0.376  46.031 -19.852
   82    H2*    A   8           H2*        A   8  -2.003  44.283 -19.908
   83   2HO*    A   8          2HO*        A   8  -2.666  43.360 -21.865
   84    H1*    A   8           H1*        A   8  -0.457  42.559 -21.423
   85    H8     A   8           H8         A   8   1.839  44.125 -18.945
   86   1H6     A   8          1H6         A   8  -0.198  39.970 -14.822
   87   2H6     A   8          2H6         A   8   1.017  41.184 -15.150
   88    H2     A   8           H2         A   8  -2.884  39.849 -18.413
   89   1H5*    U   9          1H5*        U   9  -3.864  46.039 -22.192
   90   2H5*    U   9          2H5*        U   9  -5.234  47.049 -21.661
   91    H4*    U   9           H4*        U   9  -5.636  44.508 -21.824
   92    H3*    U   9           H3*        U   9  -6.860  46.299 -20.029
   93    H2*    U   9           H2*        U   9  -5.433  45.681 -18.245
   94   2HO*    U   9          2HO*        U   9  -7.273  43.575 -17.983
   95    H1*    U   9           H1*        U   9  -5.628  42.851 -19.207
   96    H3     U   9           H3         U   9  -3.743  41.424 -15.380
   97    H5     U   9           H5         U   9  -1.235  44.545 -16.593
   98    H6     U   9           H6         U   9  -2.717  44.990 -18.403
   99   1H5*    C  10          1H5*        C  10  -9.391  41.390 -18.982
  100   2H5*    C  10          2H5*        C  10  -9.109  43.031 -18.352
  101    H4*    C  10           H4*        C  10  -7.738  40.588 -17.269
  102    H3*    C  10           H3*        C  10 -10.514  41.205 -16.799
  103    H2*    C  10           H2*        C  10 -10.026  42.928 -15.228
  104   2HO*    C  10          2HO*        C  10  -9.716  42.039 -13.112
  105    H1*    C  10           H1*        C  10  -7.420  41.481 -14.615
  106   1H4     C  10          1H4         C  10  -6.742  47.273 -11.683
  107   2H4     C  10          2H4         C  10  -5.583  47.559 -12.959
  108    H5     C  10           H5         C  10  -5.306  46.040 -14.875
  109    H6     C  10           H6         C  10  -6.102  44.004 -15.892
  110   1H5*    C  11          1H5*        C  11  -6.249  36.902 -16.409
  111   2H5*    C  11          2H5*        C  11  -7.350  37.485 -15.131
  112    H4*    C  11           H4*        C  11  -5.010  39.065 -16.235
  113    H3*    C  11           H3*        C  11  -5.197  37.169 -13.900
  114    H2*    C  11           H2*        C  11  -4.689  38.810 -12.358
  115   2HO*    C  11          2HO*        C  11  -2.951  40.343 -12.809
  116    H1*    C  11           H1*        C  11  -4.664  41.042 -14.319
  117   1H4     C  11          1H4         C  11  -7.619  43.415  -9.176
  118   2H4     C  11          2H4         C  11  -8.992  42.373  -9.474
  119    H5     C  11           H5         C  11  -9.011  40.673 -11.257
  120    H6     C  11           H6         C  11  -7.716  39.679 -13.032
  121   1H5*    C  12          1H5*        C  12  -3.117  38.023 -11.687
  122   2H5*    C  12          2H5*        C  12  -1.680  36.984 -11.605
  123    H4*    C  12           H4*        C  12  -3.976  37.065  -9.895
  124    H3*    C  12           H3*        C  12  -1.389  36.526  -9.389
  125    H2*    C  12           H2*        C  12  -1.491  34.640 -10.919
  126   2HO*    C  12          2HO*        C  12  -1.346  32.765  -9.422
  127    H1*    C  12           H1*        C  12  -3.911  33.735  -9.311
  128   1H4     C  12          1H4         C  12  -3.194  29.126 -13.849
  129   2H4     C  12          2H4         C  12  -4.272  30.092 -14.830
  130    H5     C  12           H5         C  12  -4.998  32.344 -14.187
  131    H6     C  12           H6         C  12  -4.826  34.062 -12.498
  132   1H5*    U  13          1H5*        U  13  -5.901  36.964  -9.973
  133   2H5*    U  13          2H5*        U  13  -5.733  38.294  -8.798
  134    H4*    U  13           H4*        U  13  -8.058  37.917  -9.148
  135    H3*    U  13           H3*        U  13  -6.968  37.256  -6.512
  136    H2*    U  13           H2*        U  13  -8.071  35.224  -6.396
  137   2HO*    U  13          2HO*        U  13  -9.551  36.565  -5.181
  138    H1*    U  13           H1*        U  13  -9.974  36.117  -8.549
  139    H3     U  13           H3         U  13 -11.687  32.133  -9.554
  140    H5     U  13           H5         U  13  -8.138  31.096  -7.569
  141    H6     U  13           H6         U  13  -7.601  33.476  -7.389
  142   1H5*    C  14          1H5*        C  14 -12.067  39.146  -9.359
  143   2H5*    C  14          2H5*        C  14 -12.333  37.384  -9.459
  144    H4*    C  14           H4*        C  14 -10.423  39.122 -10.994
  145    H3*    C  14           H3*        C  14 -12.274  36.840 -11.763
  146    H2*    C  14           H2*        C  14 -10.856  36.497 -13.682
  147   2HO*    C  14          2HO*        C  14  -9.264  38.067 -14.207
  148    H1*    C  14           H1*        C  14  -8.481  37.131 -12.283
  149   1H4     C  14          1H4         C  14  -9.839  30.584 -12.091
  150   2H4     C  14          2H4         C  14  -8.242  30.697 -11.394
  151    H5     C  14           H5         C  14  -7.136  32.891 -10.929
  152    H6     C  14           H6         C  14  -7.430  35.302 -11.058
  153   1H5*    A  15          1H5*        A  15 -12.650  39.140 -15.615
  154   2H5*    A  15          2H5*        A  15 -14.252  38.628 -16.218
  155    H4*    A  15           H4*        A  15 -11.951  37.938 -17.429
  156    H3*    A  15           H3*        A  15 -14.376  36.144 -17.110
  157    H2*    A  15           H2*        A  15 -13.188  34.485 -18.401
  158   2HO*    A  15          2HO*        A  15 -11.143  35.033 -19.320
  159    H1*    A  15           H1*        A  15 -10.832  34.875 -17.010
  160    H8     A  15           H8         A  15 -13.319  35.271 -14.345
  161   1H6     A  15          1H6         A  15 -14.181  29.127 -14.411
  162   2H6     A  15          2H6         A  15 -14.510  30.606 -13.536
  163    H2     A  15           H2         A  15 -11.770  30.285 -18.017
  164   1H5*    C  16          1H5*        C  16 -13.471  35.746 -21.534
  165   2H5*    C  16          2H5*        C  16 -15.119  35.739 -22.220
  166    H4*    C  16           H4*        C  16 -13.608  33.734 -22.766
  167    H3*    C  16           H3*        C  16 -16.312  33.273 -21.481
  168    H2*    C  16           H2*        C  16 -15.955  30.925 -21.817
  169   2HO*    C  16          2HO*        C  16 -14.107  30.216 -22.995
  170    H1*    C  16           H1*        C  16 -13.327  31.030 -20.953
  171   1H4     C  16          1H4         C  16 -16.628  29.544 -15.722
  172   2H4     C  16          2H4         C  16 -17.235  31.180 -15.586
  173    H5     C  16           H5         C  16 -16.764  32.918 -17.262
  174    H6     C  16           H6         C  16 -15.625  33.374 -19.354
  175   1H5*    G  17          1H5*        G  17 -16.537  30.925 -25.481
  176   2H5*    G  17          2H5*        G  17 -18.296  30.715 -25.694
  177    H4*    G  17           H4*        G  17 -16.751  28.616 -25.416
  178    H3*    G  17           H3*        G  17 -19.315  28.986 -23.843
  179    H2*    G  17           H2*        G  17 -18.985  26.780 -22.963
  180   2HO*    G  17          2HO*        G  17 -17.253  25.487 -23.768
  181    H1*    G  17           H1*        G  17 -16.303  27.167 -22.489
  182    H8     G  17           H8         G  17 -18.036  30.428 -21.679
  183    H1     G  17           H1         G  17 -18.789  26.001 -17.139
  184   1H2     G  17          1H2         G  17 -18.127  24.020 -17.873
  185   2H2     G  17          2H2         G  17 -17.480  23.799 -19.482
  186   1H5*    G  18          1H5*        G  18 -19.502  24.953 -25.538
  187   2H5*    G  18          2H5*        G  18 -21.162  24.779 -26.170
  188    H4*    G  18           H4*        G  18 -20.476  22.927 -24.641
  189    H3*    G  18           H3*        G  18 -22.739  24.707 -23.702
  190    H2*    G  18           H2*        G  18 -23.024  23.248 -21.839
  191   2HO*    G  18          2HO*        G  18 -21.868  21.260 -21.744
  192    H1*    G  18           H1*        G  18 -20.309  22.944 -21.382
  193    H8     G  18           H8         G  18 -20.999  26.557 -22.290
  194    H1     G  18           H1         G  18 -22.461  25.175 -16.222
  195   1H2     G  18          1H2         G  18 -22.417  22.994 -15.887
  196   2H2     G  18          2H2         G  18 -22.011  21.865 -17.163
  197   1H5*    G  19          1H5*        G  19 -24.343  21.030 -22.918
  198   2H5*    G  19          2H5*        G  19 -26.022  20.999 -23.522
  199    H4*    G  19           H4*        G  19 -25.807  20.510 -21.065
  200    H3*    G  19           H3*        G  19 -27.295  23.047 -21.797
  201    H2*    G  19           H2*        G  19 -27.873  23.230 -19.488
  202   2HO*    G  19          2HO*        G  19 -27.716  21.505 -18.097
  203    H1*    G  19           H1*        G  19 -25.357  22.286 -18.618
  204    H8     G  19           H8         G  19 -25.163  24.977 -21.350
  205    H1     G  19           H1         G  19 -25.709  27.310 -15.417
  206   1H2     G  19          1H2         G  19 -26.138  25.684 -13.990
  207   2H2     G  19          2H2         G  19 -26.282  24.013 -14.491
  208   1H5*    U  20          1H5*        U  20 -29.726  23.995 -21.141
  209   2H5*    U  20          2H5*        U  20 -29.753  22.562 -20.086
  210    H4*    U  20           H4*        U  20 -32.186  24.113 -21.014
  211    H3*    U  20           H3*        U  20 -30.687  24.106 -18.394
  212    H2*    U  20           H2*        U  20 -32.741  24.334 -17.218
  213   2HO*    U  20          2HO*        U  20 -33.625  25.972 -18.634
  214    H1*    U  20           H1*        U  20 -34.213  22.691 -18.971
  215    H3     U  20           H3         U  20 -33.598  21.252 -14.476
  216    H5     U  20           H5         U  20 -31.111  19.002 -17.020
  217    H6     U  20           H6         U  20 -31.592  20.591 -18.793
  218   1H5*    G  21          1H5*        G  21 -31.154  28.287 -15.642
  219   2H5*    G  21          2H5*        G  21 -29.583  27.506 -15.966
  220    H4*    G  21           H4*        G  21 -31.698  26.805 -14.030
  221    H3*    G  21           H3*        G  21 -28.752  26.179 -14.295
  222    H2*    G  21           H2*        G  21 -29.031  24.465 -12.669
  223   2HO*    G  21          2HO*        G  21 -30.918  24.360 -11.394
  224    H1*    G  21           H1*        G  21 -31.596  23.738 -13.576
  225    H8     G  21           H8         G  21 -29.124  24.069 -16.439
  226    H1     G  21           H1         G  21 -28.863  18.412 -13.474
  227   1H2     G  21          1H2         G  21 -30.064  18.461 -11.618
  228   2H2     G  21          2H2         G  21 -30.932  19.890 -11.107
  229   1H5*    A  22          1H5*        A  22 -29.400  27.529 -10.079
  230   2H5*    A  22          2H5*        A  22 -27.911  28.227  -9.378
  231    H4*    A  22           H4*        A  22 -28.749  26.327  -8.043
  232    H3*    A  22           H3*        A  22 -26.155  25.836  -9.526
  233    H2*    A  22           H2*        A  22 -26.007  23.707  -8.423
  234   2HO*    A  22          2HO*        A  22 -26.798  24.473  -6.349
  235    H1*    A  22           H1*        A  22 -28.665  23.109  -8.797
  236    H8     A  22           H8         A  22 -26.960  24.927 -11.750
  237   1H6     A  22          1H6         A  22 -25.642  19.289 -13.893
  238   2H6     A  22          2H6         A  22 -25.588  21.005 -14.232
  239    H2     A  22           H2         A  22 -27.463  18.855  -9.830
  240   1H5*    C  23          1H5*        C  23 -22.209  24.412  -7.128
  241   2H5*    C  23          2H5*        C  23 -22.418  25.578  -8.460
  242    H4*    C  23           H4*        C  23 -23.407  22.714  -8.398
  243    H3*    C  23           H3*        C  23 -21.155  24.052  -9.900
  244    H2*    C  23           H2*        C  23 -21.554  22.604 -11.759
  245   2HO*    C  23          2HO*        C  23 -23.027  20.874 -11.582
  246    H1*    C  23           H1*        C  23 -24.264  22.882 -11.702
  247   1H4     C  23          1H4         C  23 -22.133  27.502 -15.564
  248   2H4     C  23          2H4         C  23 -22.093  28.605 -14.209
  249    H5     C  23           H5         C  23 -22.525  27.897 -11.907
  250    H6     C  23           H6         C  23 -23.074  26.017 -10.497
  251   1H5*    C  24          1H5*        C  24 -20.434  20.103 -10.649
  252   2H5*    C  24          2H5*        C  24 -18.723  19.682 -10.372
  253    H4*    C  24           H4*        C  24 -19.448  19.069 -12.642
  254    H3*    C  24           H3*        C  24 -17.498  21.385 -12.522
  255    H2*    C  24           H2*        C  24 -17.390  21.301 -14.917
  256   2HO*    C  24          2HO*        C  24 -18.480  19.615 -16.042
  257    H1*    C  24           H1*        C  24 -20.122  21.048 -15.209
  258   1H4     C  24          1H4         C  24 -18.819  27.306 -15.480
  259   2H4     C  24          2H4         C  24 -19.157  27.432 -13.770
  260    H5     C  24           H5         C  24 -19.606  25.480 -12.345
  261    H6     C  24           H6         C  24 -19.786  23.079 -12.318
  262   1H5*    G  25          1H5*        G  25 -15.239  18.623 -15.125
  263   2H5*    G  25          2H5*        G  25 -13.570  18.718 -14.500
  264    H4*    G  25           H4*        G  25 -13.784  19.224 -16.946
  265    H3*    G  25           H3*        G  25 -12.808  21.468 -15.158
  266    H2*    G  25           H2*        G  25 -12.384  22.738 -17.145
  267   2HO*    G  25          2HO*        G  25 -12.622  21.746 -19.204
  268    H1*    G  25           H1*        G  25 -14.769  22.014 -18.336
  269    H8     G  25           H8         G  25 -15.187  22.581 -14.572
  270    H1     G  25           H1         G  25 -15.430  27.951 -18.046
  271   1H2     G  25          1H2         G  25 -14.827  27.535 -20.134
  272   2H2     G  25          2H2         G  25 -14.380  25.933 -20.679
  273   1H5*    U  26          1H5*        U  26  -9.700  21.033 -18.169
  274   2H5*    U  26          2H5*        U  26  -8.127  21.315 -17.376
  275    H4*    U  26           H4*        U  26  -8.532  22.809 -19.333
  276    H3*    U  26           H3*        U  26  -8.402  24.197 -16.642
  277    H2*    U  26           H2*        U  26  -8.386  26.265 -17.868
  278   2HO*    U  26          2HO*        U  26  -8.380  26.168 -20.196
  279    H1*    U  26           H1*        U  26 -10.438  25.464 -19.530
  280    H3     U  26           H3         U  26 -12.336  28.493 -16.699
  281    H5     U  26           H5         U  26 -12.006  24.987 -14.394
  282    H6     U  26           H6         U  26 -10.746  23.992 -16.201
  283   1H5*    G  27          1H5*        G  27  -5.321  25.936 -19.074
  284   2H5*    G  27          2H5*        G  27  -3.933  26.450 -18.079
  285    H4*    G  27           H4*        G  27  -5.195  28.182 -19.554
  286    H3*    G  27           H3*        G  27  -3.803  28.507 -17.063
  287    H2*    G  27           H2*        G  27  -5.524  29.338 -15.811
  288   2HO*    G  27          2HO*        G  27  -5.938  31.502 -16.053
  289    H1*    G  27           H1*        G  27  -7.198  30.204 -18.135
  290    H8     G  27           H8         G  27  -7.960  27.044 -16.189
  291    H1     G  27           H1         G  27 -11.052  32.125 -13.910
  292   1H2     G  27          1H2         G  27 -10.294  33.980 -14.816
  293   2H2     G  27          2H2         G  27  -9.015  33.977 -16.014
  294   1H5*    G  28          1H5*        G  28  -5.453  33.420 -18.860
  295   2H5*    G  28          2H5*        G  28  -6.355  32.485 -20.079
  296    H4*    G  28           H4*        G  28  -6.082  34.122 -21.563
  297    H3*    G  28           H3*        G  28  -3.139  33.684 -21.063
  298    H2*    G  28           H2*        G  28  -2.597  35.758 -22.111
  299   2HO*    G  28          2HO*        G  28  -4.244  36.975 -23.165
  300    H1*    G  28           H1*        G  28  -4.533  37.217 -20.877
  301    H8     G  28           H8         G  28  -3.879  35.059 -18.024
  302    H1     G  28           H1         G  28   1.261  38.664 -19.289
  303   1H2     G  28          1H2         G  28   1.093  39.582 -21.294
  304   2H2     G  28          2H2         G  28  -0.289  39.298 -22.331
  305   1H5*    U  29          1H5*        U  29  -2.865  35.053 -24.885
  306   2H5*    U  29          2H5*        U  29  -2.372  33.682 -25.916
  307    H4*    U  29           H4*        U  29  -0.982  35.515 -26.526
  308    H3*    U  29           H3*        U  29   0.484  33.653 -24.643
  309    H2*    U  29           H2*        U  29   2.442  34.990 -24.922
  310   2HO*    U  29          2HO*        U  29   0.910  36.424 -26.873
  311    H1*    U  29           H1*        U  29   1.138  37.352 -24.568
  312    H3     U  29           H3         U  29   3.452  36.389 -20.734
  313    H5     U  29           H5         U  29  -0.228  34.387 -20.330
  314    H6     U  29           H6         U  29  -0.713  34.959 -22.629
  315   1H5*    C  30          1H5*        C  30   3.095  34.177 -27.969
  316   2H5*    C  30          2H5*        C  30   4.015  32.680 -28.279
  317    H4*    C  30           H4*        C  30   5.418  34.728 -27.824
  318    H3*    C  30           H3*        C  30   5.670  32.422 -25.876
  319    H2*    C  30           H2*        C  30   7.531  33.609 -24.922
  320   2HO*    C  30          2HO*        C  30   8.260  35.560 -25.934
  321    H1*    C  30           H1*        C  30   6.195  36.055 -25.006
  322   1H4     C  30          1H4         C  30   5.260  33.620 -19.155
  323   2H4     C  30          2H4         C  30   3.815  32.817 -19.724
  324    H5     C  30           H5         C  30   3.146  32.798 -22.083
  325    H6     C  30           H6         C  30   3.739  33.546 -24.299
  326   1H5*    C  31          1H5*        C  31   9.595  33.037 -27.302
  327   2H5*    C  31          2H5*        C  31  10.522  31.512 -27.251
  328    H4*    C  31           H4*        C  31  11.329  33.495 -25.798
  329    H3*    C  31           H3*        C  31  10.824  30.789 -24.535
  330    H2*    C  31           H2*        C  31  11.823  31.686 -22.551
  331   2HO*    C  31          2HO*        C  31  12.535  33.940 -24.171
  332    H1*    C  31           H1*        C  31  10.564  34.189 -22.886
  333   1H4     C  31          1H4         C  31   7.282  30.802 -18.524
  334   2H4     C  31          2H4         C  31   6.144  30.366 -19.779
  335    H5     C  31           H5         C  31   6.491  30.913 -22.149
  336    H6     C  31           H6         C  31   8.001  31.955 -23.729
  337   1H5*    U  32          1H5*        U  32  14.496  31.498 -23.160
  338   2H5*    U  32          2H5*        U  32  15.590  30.190 -23.681
  339    H4*    U  32           H4*        U  32  15.879  30.500 -21.317
  340    H3*    U  32           H3*        U  32  14.120  28.088 -21.824
  341    H2*    U  32           H2*        U  32  14.306  27.632 -19.482
  342   2HO*    U  32          2HO*        U  32  15.760  28.899 -18.197
  343    H1*    U  32           H1*        U  32  14.075  30.342 -18.788
  344    H3     U  32           H3         U  32  10.455  27.994 -17.200
  345    H5     U  32           H5         U  32   9.495  28.994 -21.173
  346    H6     U  32           H6         U  32  11.775  29.759 -21.462
  347   1H5*    C  33          1H5*        C  33  17.778  27.076 -19.624
  348   2H5*    C  33          2H5*        C  33  18.234  25.370 -19.880
  349    H4*    C  33           H4*        C  33  17.970  26.180 -17.456
  350    H3*    C  33           H3*        C  33  16.342  23.809 -18.403
  351    H2*    C  33           H2*        C  33  15.674  23.529 -16.132
  352   2HO*    C  33          2HO*        C  33  17.812  25.343 -15.545
  353    H1*    C  33           H1*        C  33  15.604  26.311 -15.634
  354   1H4     C  33          1H4         C  33   9.630  24.046 -15.969
  355   2H4     C  33          2H4         C  33   9.580  24.494 -17.656
  356    H5     C  33           H5         C  33  11.502  25.315 -18.863
  357    H6     C  33           H6         C  33  13.880  25.865 -18.699
  358   1H5*    C  34          1H5*        C  34  18.406  22.563 -14.885
  359   2H5*    C  34          2H5*        C  34  18.800  20.829 -15.020
  360    H4*    C  34           H4*        C  34  17.307  21.618 -13.047
  361    H3*    C  34           H3*        C  34  16.464  19.348 -14.864
  362    H2*    C  34           H2*        C  34  14.571  19.016 -13.475
  363   2HO*    C  34          2HO*        C  34  15.550  19.096 -11.435
  364    H1*    C  34           H1*        C  34  14.261  21.784 -12.893
  365   1H4     C  34          1H4         C  34   9.617  20.116 -16.967
  366   2H4     C  34          2H4         C  34  10.664  20.518 -18.312
  367    H5     C  34           H5         C  34  13.034  21.127 -18.020
  368    H6     C  34           H6         C  34  14.780  21.474 -16.399
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1   5.324  17.781 -24.176
    2   2H5*    G   1          2H5*        G   1   6.458  18.795 -25.068
    3    H4*    G   1           H4*        G   1   7.144  16.170 -23.728
    4    H3*    G   1           H3*        G   1   7.683  19.022 -22.867
    5    H2*    G   1           H2*        G   1   9.700  18.235 -21.837
    6   2HO*    G   1          2HO*        G   1  10.147  15.992 -21.769
    7    H1*    G   1           H1*        G   1  10.428  16.715 -24.004
    8    H8     G   1           H8         G   1   8.822  19.730 -25.568
    9    H1     G   1           H1         G   1  14.611  21.049 -23.208
   10   1H2     G   1          1H2         G   1  15.342  19.387 -21.957
   11   2H2     G   1          2H2         G   1  14.395  17.941 -21.682
   12   1H5*    G   2          1H5*        G   2   8.400  16.686 -19.420
   13   2H5*    G   2          2H5*        G   2   7.770  17.513 -17.970
   14    H4*    G   2           H4*        G   2  10.198  16.908 -17.832
   15    H3*    G   2           H3*        G   2   9.521  19.861 -17.791
   16    H2*    G   2           H2*        G   2  11.830  20.279 -17.302
   17   2HO*    G   2          2HO*        G   2  13.243  18.538 -16.874
   18    H1*    G   2           H1*        G   2  12.733  18.471 -19.191
   19    H8     G   2           H8         G   2   9.900  19.951 -21.014
   20    H1     G   2           H1         G   2  14.626  24.198 -20.297
   21   1H2     G   2          1H2         G   2  16.088  23.472 -18.806
   22   2H2     G   2          2H2         G   2  15.895  21.942 -17.980
   23   1H5*    A   3          1H5*        A   3  11.775  19.119 -14.183
   24   2H5*    A   3          2H5*        A   3  11.210  20.207 -12.884
   25    H4*    A   3           H4*        A   3  13.688  20.342 -13.553
   26    H3*    A   3           H3*        A   3  11.960  22.828 -13.609
   27    H2*    A   3           H2*        A   3  13.963  24.083 -14.057
   28   2HO*    A   3          2HO*        A   3  16.001  22.971 -14.055
   29    H1*    A   3           H1*        A   3  14.864  22.272 -15.946
   30    H8     A   3           H8         A   3  11.368  22.158 -16.892
   31   1H6     A   3          1H6         A   3  11.771  27.918 -19.115
   32   2H6     A   3          2H6         A   3  10.816  26.453 -19.074
   33    H2     A   3           H2         A   3  15.377  27.154 -16.562
   34   1H5*    G   4          1H5*        G   4  15.092  24.144 -10.886
   35   2H5*    G   4          2H5*        G   4  14.210  24.775  -9.467
   36    H4*    G   4           H4*        G   4  15.881  26.379 -10.351
   37    H3*    G   4           H3*        G   4  12.988  27.215 -10.681
   38    H2*    G   4           H2*        G   4  13.805  29.351 -11.402
   39   2HO*    G   4          2HO*        G   4  16.379  28.353 -10.618
   40    H1*    G   4           H1*        G   4  15.780  28.231 -13.002
   41    H8     G   4           H8         G   4  12.750  26.042 -13.435
   42    H1     G   4           H1         G   4  12.234  31.617 -16.535
   43   1H2     G   4          1H2         G   4  13.835  33.000 -15.889
   44   2H2     G   4          2H2         G   4  15.030  32.549 -14.695
   45   1H5*    G   5          1H5*        G   5  14.965  30.469  -8.273
   46   2H5*    G   5          2H5*        G   5  13.685  31.074  -7.184
   47    H4*    G   5           H4*        G   5  14.837  32.811  -8.651
   48    H3*    G   5           H3*        G   5  11.837  32.467  -8.902
   49    H2*    G   5           H2*        G   5  11.853  34.417 -10.296
   50   2HO*    G   5          2HO*        G   5  13.753  35.654 -10.523
   51    H1*    G   5           H1*        G   5  14.114  33.603 -11.687
   52    H8     G   5           H8         G   5  12.019  30.524 -11.147
   53    H1     G   5           H1         G   5   9.709  34.294 -15.763
   54   1H2     G   5          1H2         G   5  10.725  36.256 -15.725
   55   2H2     G   5          2H2         G   5  11.984  36.636 -14.572
   56   1H5*    A   6          1H5*        A   6  12.352  36.793  -7.813
   57   2H5*    A   6          2H5*        A   6  10.853  37.212  -6.939
   58    H4*    A   6           H4*        A   6  11.398  38.540  -9.074
   59    H3*    A   6           H3*        A   6   8.732  37.127  -8.787
   60    H2*    A   6           H2*        A   6   8.063  38.168 -10.836
   61   2HO*    A   6          2HO*        A   6   9.392  39.752 -11.809
   62    H1*    A   6           H1*        A   6  10.469  37.674 -12.096
   63    H8     A   6           H8         A   6   9.928  34.534 -10.179
   64   1H6     A   6          1H6         A   6   5.726  32.874 -14.416
   65   2H6     A   6          2H6         A   6   6.700  32.334 -13.066
   66    H2     A   6           H2         A   6   6.691  37.211 -15.012
   67   1H5*    C   7          1H5*        C   7   7.694  41.371  -9.591
   68   2H5*    C   7          2H5*        C   7   6.121  41.666  -8.805
   69    H4*    C   7           H4*        C   7   6.355  41.961 -11.392
   70    H3*    C   7           H3*        C   7   4.084  40.433 -10.092
   71    H2*    C   7           H2*        C   7   3.135  40.072 -12.247
   72   2HO*    C   7          2HO*        C   7   5.123  41.918 -13.169
   73    H1*    C   7           H1*        C   7   5.538  39.479 -13.470
   74   1H4     C   7          1H4         C   7   2.908  33.944 -11.526
   75   2H4     C   7          2H4         C   7   4.066  33.925 -10.216
   76    H5     C   7           H5         C   7   5.563  35.809  -9.725
   77    H6     C   7           H6         C   7   6.192  38.029 -10.396
   78   1H5*    A   8          1H5*        A   8   2.267  42.919 -12.808
   79   2H5*    A   8          2H5*        A   8   0.834  43.742 -12.135
   80    H4*    A   8           H4*        A   8   0.446  42.430 -14.245
   81    H3*    A   8           H3*        A   8  -1.127  41.940 -11.754
   82    H2*    A   8           H2*        A   8  -2.099  39.971 -12.483
   83   2HO*    A   8          2HO*        A   8  -2.879  41.086 -14.430
   84    H1*    A   8           H1*        A   8  -0.145  39.224 -14.396
   85    H8     A   8           H8         A   8   1.330  39.761 -11.037
   86   1H6     A   8          1H6         A   8  -0.267  33.902  -9.773
   87   2H6     A   8          2H6         A   8   0.663  35.273  -9.216
   88    H2     A   8           H2         A   8  -2.259  35.174 -13.597
   89   1H5*    U   9          1H5*        U   9   0.572  42.159 -17.079
   90   2H5*    U   9          2H5*        U   9  -0.787  43.242 -17.450
   91    H4*    U   9           H4*        U   9  -0.537  40.927 -18.718
   92    H3*    U   9           H3*        U   9  -2.925  42.449 -18.015
   93    H2*    U   9           H2*        U   9  -4.004  40.630 -17.139
   94   2HO*    U   9          2HO*        U   9  -4.702  39.024 -18.649
   95    H1*    U   9           H1*        U   9  -2.045  38.672 -18.326
   96    H3     U   9           H3         U   9  -2.661  35.386 -15.277
   97    H5     U   9           H5         U   9  -5.152  38.507 -13.962
   98    H6     U   9           H6         U   9  -4.193  39.884 -15.665
   99   1H5*    C  10          1H5*        C  10  -4.431  45.103 -20.296
  100   2H5*    C  10          2H5*        C  10  -3.622  44.095 -19.072
  101    H4*    C  10           H4*        C  10  -5.069  42.474 -20.979
  102    H3*    C  10           H3*        C  10  -6.561  44.845 -20.083
  103    H2*    C  10           H2*        C  10  -7.401  43.791 -18.173
  104   2HO*    C  10          2HO*        C  10  -9.158  43.446 -19.709
  105    H1*    C  10           H1*        C  10  -6.716  41.074 -19.336
  106   1H4     C  10          1H4         C  10  -6.339  41.042 -12.658
  107   2H4     C  10          2H4         C  10  -7.126  39.542 -13.088
  108    H5     C  10           H5         C  10  -7.649  38.932 -15.407
  109    H6     C  10           H6         C  10  -7.520  39.647 -17.701
  110   1H5*    C  11          1H5*        C  11 -10.623  45.255 -22.807
  111   2H5*    C  11          2H5*        C  11 -11.330  45.366 -21.173
  112    H4*    C  11           H4*        C  11 -12.049  43.465 -22.918
  113    H3*    C  11           H3*        C  11 -11.882  43.367 -19.928
  114    H2*    C  11           H2*        C  11 -11.375  41.091 -19.962
  115   2HO*    C  11          2HO*        C  11 -13.559  40.797 -21.744
  116    H1*    C  11           H1*        C  11 -11.627  40.990 -22.995
  117   1H4     C  11          1H4         C  11  -6.949  36.701 -22.637
  118   2H4     C  11          2H4         C  11  -6.599  37.124 -20.978
  119    H5     C  11           H5         C  11  -7.783  38.909 -19.789
  120    H6     C  11           H6         C  11  -9.494  40.592 -19.963
  121   1H5*    C  12          1H5*        C  12 -15.679  42.386 -21.209
  122   2H5*    C  12          2H5*        C  12 -17.288  43.095 -21.513
  123    H4*    C  12           H4*        C  12 -17.371  42.044 -19.380
  124    H3*    C  12           H3*        C  12 -17.884  44.825 -19.502
  125    H2*    C  12           H2*        C  12 -15.829  45.375 -18.478
  126   2HO*    C  12          2HO*        C  12 -16.215  45.885 -16.333
  127    H1*    C  12           H1*        C  12 -16.305  42.895 -16.801
  128   1H4     C  12          1H4         C  12 -10.256  45.159 -15.170
  129   2H4     C  12          2H4         C  12 -10.027  43.429 -15.068
  130    H5     C  12           H5         C  12 -11.731  41.819 -15.774
  131    H6     C  12           H6         C  12 -13.937  41.568 -16.715
  132   1H5*    U  13          1H5*        U  13 -20.947  40.336 -17.352
  133   2H5*    U  13          2H5*        U  13 -20.763  41.839 -16.407
  134    H4*    U  13           H4*        U  13 -18.373  41.291 -17.925
  135    H3*    U  13           H3*        U  13 -19.484  38.896 -16.610
  136    H2*    U  13           H2*        U  13 -18.205  39.162 -14.695
  137   2HO*    U  13          2HO*        U  13 -16.025  38.760 -14.848
  138    H1*    U  13           H1*        U  13 -16.468  41.274 -15.988
  139    H3     U  13           H3         U  13 -15.378  43.409 -12.135
  140    H5     U  13           H5         U  13 -18.467  40.787 -11.009
  141    H6     U  13           H6         U  13 -18.682  40.164 -13.305
  142   1H5*    C  14          1H5*        C  14 -16.874  40.158 -19.399
  143   2H5*    C  14          2H5*        C  14 -17.110  40.498 -21.128
  144    H4*    C  14           H4*        C  14 -15.094  39.615 -21.471
  145    H3*    C  14           H3*        C  14 -16.348  37.045 -20.486
  146    H2*    C  14           H2*        C  14 -14.186  36.051 -20.821
  147   2HO*    C  14          2HO*        C  14 -12.504  37.285 -21.773
  148    H1*    C  14           H1*        C  14 -12.875  38.185 -19.621
  149   1H4     C  14          1H4         C  14 -13.925  33.801 -15.062
  150   2H4     C  14          2H4         C  14 -15.426  34.598 -14.649
  151    H5     C  14           H5         C  14 -16.345  36.487 -15.951
  152    H6     C  14           H6         C  14 -15.959  37.909 -17.859
  153   1H5*    A  15          1H5*        A  15 -14.522  35.898 -24.120
  154   2H5*    A  15          2H5*        A  15 -15.573  34.774 -25.026
  155    H4*    A  15           H4*        A  15 -13.308  33.856 -24.613
  156    H3*    A  15           H3*        A  15 -15.541  32.449 -23.129
  157    H2*    A  15           H2*        A  15 -13.920  30.787 -22.519
  158   2HO*    A  15          2HO*        A  15 -11.843  30.813 -23.464
  159    H1*    A  15           H1*        A  15 -11.956  32.715 -21.998
  160    H8     A  15           H8         A  15 -14.985  34.219 -20.519
  161   1H6     A  15          1H6         A  15 -14.533  30.238 -15.810
  162   2H6     A  15          2H6         A  15 -15.311  31.694 -16.394
  163    H2     A  15           H2         A  15 -11.769  28.885 -19.064
  164   1H5*    C  16          1H5*        C  16 -13.814  29.403 -25.398
  165   2H5*    C  16          2H5*        C  16 -15.076  28.476 -26.255
  166    H4*    C  16           H4*        C  16 -13.589  26.988 -24.999
  167    H3*    C  16           H3*        C  16 -16.357  27.234 -23.798
  168    H2*    C  16           H2*        C  16 -15.745  25.463 -22.306
  169   2HO*    C  16          2HO*        C  16 -13.737  24.374 -22.601
  170    H1*    C  16           H1*        C  16 -13.214  26.522 -21.841
  171   1H4     C  16          1H4         C  16 -16.679  28.800 -17.023
  172   2H4     C  16          2H4         C  16 -17.626  29.801 -18.103
  173    H5     C  16           H5         C  16 -17.332  29.778 -20.533
  174    H6     C  16           H6         C  16 -16.079  28.802 -22.359
  175   1H5*    G  17          1H5*        G  17 -16.121  23.026 -24.618
  176   2H5*    G  17          2H5*        G  17 -17.748  22.447 -25.062
  177    H4*    G  17           H4*        G  17 -16.749  21.312 -23.062
  178    H3*    G  17           H3*        G  17 -19.258  22.940 -22.580
  179    H2*    G  17           H2*        G  17 -19.290  22.007 -20.370
  180   2HO*    G  17          2HO*        G  17 -17.864  20.319 -19.814
  181    H1*    G  17           H1*        G  17 -16.540  22.302 -20.040
  182    H8     G  17           H8         G  17 -17.837  25.409 -21.768
  183    H1     G  17           H1         G  17 -19.104  25.307 -15.509
  184   1H2     G  17          1H2         G  17 -18.697  23.300 -14.667
  185   2H2     G  17          2H2         G  17 -18.100  21.986 -15.655
  186   1H5*    G  18          1H5*        G  18 -20.172  19.058 -21.152
  187   2H5*    G  18          2H5*        G  18 -21.781  18.584 -21.759
  188    H4*    G  18           H4*        G  18 -21.656  18.255 -19.346
  189    H3*    G  18           H3*        G  18 -23.347  20.654 -20.096
  190    H2*    G  18           H2*        G  18 -23.982  20.771 -17.793
  191   2HO*    G  18          2HO*        G  18 -23.331  19.085 -16.348
  192    H1*    G  18           H1*        G  18 -21.403  20.226 -16.882
  193    H8     G  18           H8         G  18 -21.398  22.645 -19.847
  194    H1     G  18           H1         G  18 -22.572  25.457 -14.217
  195   1H2     G  18          1H2         G  18 -22.902  23.934 -12.651
  196   2H2     G  18          2H2         G  18 -22.822  22.219 -12.989
  197   1H5*    G  19          1H5*        G  19 -25.816  18.591 -17.585
  198   2H5*    G  19          2H5*        G  19 -27.456  18.499 -18.276
  199    H4*    G  19           H4*        G  19 -27.427  19.468 -15.988
  200    H3*    G  19           H3*        G  19 -28.195  21.408 -18.184
  201    H2*    G  19           H2*        G  19 -28.768  22.953 -16.446
  202   2HO*    G  19          2HO*        G  19 -29.013  22.296 -14.332
  203    H1*    G  19           H1*        G  19 -26.544  22.240 -14.872
  204    H8     G  19           H8         G  19 -25.421  22.657 -18.468
  205    H1     G  19           H1         G  19 -26.227  28.226 -15.418
  206   1H2     G  19          1H2         G  19 -27.250  27.903 -13.495
  207   2H2     G  19          2H2         G  19 -27.739  26.313 -12.953
  208   1H5*    U  20          1H5*        U  20 -32.665  22.152 -19.361
  209   2H5*    U  20          2H5*        U  20 -31.318  23.279 -19.665
  210    H4*    U  20           H4*        U  20 -33.253  24.503 -18.845
  211    H3*    U  20           H3*        U  20 -31.010  24.254 -16.830
  212    H2*    U  20           H2*        U  20 -32.268  25.520 -15.288
  213   2HO*    U  20          2HO*        U  20 -34.104  26.732 -15.983
  214    H1*    U  20           H1*        U  20 -34.779  24.551 -16.102
  215    H3     U  20           H3         U  20 -34.724  23.160 -11.815
  216    H5     U  20           H5         U  20 -31.605  20.955 -13.585
  217    H6     U  20           H6         U  20 -31.955  22.214 -15.623
  218   1H5*    G  21          1H5*        G  21 -31.863  28.341 -16.456
  219   2H5*    G  21          2H5*        G  21 -30.333  29.171 -16.071
  220    H4*    G  21           H4*        G  21 -32.167  29.155 -14.265
  221    H3*    G  21           H3*        G  21 -29.355  28.220 -13.719
  222    H2*    G  21           H2*        G  21 -29.919  27.727 -11.468
  223   2HO*    G  21          2HO*        G  21 -31.311  28.997 -10.479
  224    H1*    G  21           H1*        G  21 -32.476  26.784 -12.025
  225    H8     G  21           H8         G  21 -29.888  25.451 -14.496
  226    H1     G  21           H1         G  21 -30.308  22.062  -9.095
  227   1H2     G  21          1H2         G  21 -31.577  23.115  -7.622
  228   2H2     G  21          2H2         G  21 -32.329  24.654  -7.970
  229   1H5*    A  22          1H5*        A  22 -30.381  30.914 -10.730
  230   2H5*    A  22          2H5*        A  22 -29.067  31.991 -10.182
  231    H4*    A  22           H4*        A  22 -30.011  30.648  -8.324
  232    H3*    A  22           H3*        A  22 -27.175  30.063  -9.162
  233    H2*    A  22           H2*        A  22 -26.971  28.432  -7.459
  234   2HO*    A  22          2HO*        A  22 -28.046  29.689  -5.802
  235    H1*    A  22           H1*        A  22 -29.560  27.424  -7.768
  236    H8     A  22           H8         A  22 -27.399  28.249 -10.878
  237   1H6     A  22          1H6         A  22 -25.972  22.238 -10.888
  238   2H6     A  22          2H6         A  22 -25.799  23.756 -11.741
  239    H2     A  22           H2         A  22 -28.441  23.097  -7.256
  240   1H5*    C  23          1H5*        C  23 -23.315  30.541  -6.922
  241   2H5*    C  23          2H5*        C  23 -24.016  30.569  -8.561
  242    H4*    C  23           H4*        C  23 -24.179  28.163  -6.741
  243    H3*    C  23           H3*        C  23 -22.057  28.855  -8.778
  244    H2*    C  23           H2*        C  23 -21.927  26.543  -9.371
  245   2HO*    C  23          2HO*        C  23 -22.990  24.968  -8.161
  246    H1*    C  23           H1*        C  23 -24.617  26.176  -9.472
  247   1H4     C  23          1H4         C  23 -22.874  27.967 -15.355
  248   2H4     C  23          2H4         C  23 -23.130  29.644 -14.925
  249    H5     C  23           H5         C  23 -23.675  30.365 -12.632
  250    H6     C  23           H6         C  23 -24.084  29.603 -10.386
  251   1H5*    C  24          1H5*        C  24 -20.806  25.443  -6.599
  252   2H5*    C  24          2H5*        C  24 -19.050  25.445  -6.286
  253    H4*    C  24           H4*        C  24 -19.864  23.380  -7.435
  254    H3*    C  24           H3*        C  24 -17.969  25.140  -9.011
  255    H2*    C  24           H2*        C  24 -17.897  23.399 -10.663
  256   2HO*    C  24          2HO*        C  24 -18.904  21.398 -10.268
  257    H1*    C  24           H1*        C  24 -20.626  23.018 -10.625
  258   1H4     C  24          1H4         C  24 -19.472  27.310 -15.226
  259   2H4     C  24          2H4         C  24 -19.705  28.600 -14.070
  260    H5     C  24           H5         C  24 -20.031  28.198 -11.668
  261    H6     C  24           H6         C  24 -20.171  26.498  -9.972
  262   1H5*    G  25          1H5*        G  25 -15.859  21.392  -9.244
  263   2H5*    G  25          2H5*        G  25 -14.209  21.770  -8.679
  264    H4*    G  25           H4*        G  25 -14.146  20.613 -10.833
  265    H3*    G  25           H3*        G  25 -13.414  23.549 -11.014
  266    H2*    G  25           H2*        G  25 -12.806  23.150 -13.301
  267   2HO*    G  25          2HO*        G  25 -12.864  21.001 -14.130
  268    H1*    G  25           H1*        G  25 -15.073  21.683 -13.823
  269    H8     G  25           H8         G  25 -15.859  24.514 -11.389
  270    H1     G  25           H1         G  25 -15.759  26.343 -17.515
  271   1H2     G  25          1H2         G  25 -14.946  24.730 -18.784
  272   2H2     G  25          2H2         G  25 -14.444  23.188 -18.126
  273   1H5*    U  26          1H5*        U  26 -10.461  21.810 -13.089
  274   2H5*    U  26          2H5*        U  26  -8.863  22.401 -12.563
  275    H4*    U  26           H4*        U  26  -9.182  22.652 -14.996
  276    H3*    U  26           H3*        U  26  -9.155  25.275 -13.481
  277    H2*    U  26           H2*        U  26  -9.112  26.365 -15.613
  278   2HO*    U  26          2HO*        U  26  -8.806  23.757 -16.758
  279    H1*    U  26           H1*        U  26 -10.961  24.600 -16.737
  280    H3     U  26           H3         U  26 -13.231  28.518 -16.569
  281    H5     U  26           H5         U  26 -13.023  27.292 -12.541
  282    H6     U  26           H6         U  26 -11.580  25.477 -13.233
  283   1H5*    G  27          1H5*        G  27  -6.395  25.536 -16.530
  284   2H5*    G  27          2H5*        G  27  -4.906  26.379 -16.035
  285    H4*    G  27           H4*        G  27  -6.244  27.232 -18.092
  286    H3*    G  27           H3*        G  27  -4.732  28.707 -16.086
  287    H2*    G  27           H2*        G  27  -6.457  30.119 -15.502
  288   2HO*    G  27          2HO*        G  27  -6.020  31.060 -18.151
  289    H1*    G  27           H1*        G  27  -7.924  29.587 -18.108
  290    H8     G  27           H8         G  27  -8.961  28.676 -14.515
  291    H1     G  27           H1         G  27 -12.206  33.581 -17.025
  292   1H2     G  27          1H2         G  27 -11.322  34.176 -18.962
  293   2H2     G  27          2H2         G  27  -9.935  33.357 -19.643
  294   1H5*    G  28          1H5*        G  28  -0.743  30.004 -18.592
  295   2H5*    G  28          2H5*        G  28  -1.998  29.759 -17.352
  296    H4*    G  28           H4*        G  28  -3.035  31.452 -19.428
  297    H3*    G  28           H3*        G  28  -0.258  32.149 -18.553
  298    H2*    G  28           H2*        G  28  -0.792  34.342 -17.836
  299   2HO*    G  28          2HO*        G  28  -2.768  35.312 -18.369
  300    H1*    G  28           H1*        G  28  -3.080  33.790 -16.537
  301    H8     G  28           H8         G  28  -1.905  30.669 -15.442
  302    H1     G  28           H1         G  28   2.251  35.092 -13.433
  303   1H2     G  28          1H2         G  28   1.955  36.984 -14.533
  304   2H2     G  28          2H2         G  28   0.734  37.154 -15.776
  305   1H5*    U  29          1H5*        U  29  -0.764  35.741 -20.317
  306   2H5*    U  29          2H5*        U  29   0.347  35.816 -21.711
  307    H4*    U  29           H4*        U  29   0.619  37.759 -20.215
  308    H3*    U  29           H3*        U  29   2.937  35.818 -20.330
  309    H2*    U  29           H2*        U  29   4.184  37.246 -18.867
  310   2HO*    U  29          2HO*        U  29   3.305  39.271 -18.228
  311    H1*    U  29           H1*        U  29   2.160  37.565 -17.089
  312    H3     U  29           H3         U  29   5.374  34.458 -15.770
  313    H5     U  29           H5         U  29   2.085  32.319 -17.302
  314    H6     U  29           H6         U  29   1.208  34.405 -18.136
  315   1H5*    C  30          1H5*        C  30   4.998  39.565 -21.180
  316   2H5*    C  30          2H5*        C  30   6.214  39.192 -22.432
  317    H4*    C  30           H4*        C  30   7.134  40.170 -20.296
  318    H3*    C  30           H3*        C  30   8.058  37.387 -21.067
  319    H2*    C  30           H2*        C  30   9.660  37.557 -19.277
  320   2HO*    C  30          2HO*        C  30   8.706  40.238 -18.946
  321    H1*    C  30           H1*        C  30   7.787  38.536 -17.501
  322   1H4     C  30          1H4         C  30   7.822  32.193 -16.810
  323   2H4     C  30          2H4         C  30   6.489  32.067 -17.941
  324    H5     C  30           H5         C  30   5.629  33.997 -19.207
  325    H6     C  30           H6         C  30   5.904  36.365 -19.596
  326   1H5*    C  31          1H5*        C  31  11.956  39.628 -21.159
  327   2H5*    C  31          2H5*        C  31  12.937  38.734 -22.354
  328    H4*    C  31           H4*        C  31  13.842  38.885 -19.956
  329    H3*    C  31           H3*        C  31  13.435  36.155 -21.209
  330    H2*    C  31           H2*        C  31  14.619  35.277 -19.311
  331   2HO*    C  31          2HO*        C  31  15.045  38.008 -18.566
  332    H1*    C  31           H1*        C  31  13.217  36.871 -17.528
  333   1H4     C  31          1H4         C  31  10.236  31.218 -17.813
  334   2H4     C  31          2H4         C  31   9.168  31.857 -19.041
  335    H5     C  31           H5         C  31   9.463  34.076 -20.047
  336    H6     C  31           H6         C  31  10.843  36.067 -20.053
  337   1H5*    U  32          1H5*        U  32  17.691  36.183 -20.117
  338   2H5*    U  32          2H5*        U  32  18.499  35.104 -21.287
  339    H4*    U  32           H4*        U  32  18.607  34.520 -18.756
  340    H3*    U  32           H3*        U  32  17.676  32.460 -20.776
  341    H2*    U  32           H2*        U  32  17.761  30.876 -18.981
  342   2HO*    U  32          2HO*        U  32  18.980  32.968 -17.455
  343    H1*    U  32           H1*        U  32  16.653  32.665 -17.147
  344    H3     U  32           H3         U  32  13.917  29.025 -18.143
  345    H5     U  32           H5         U  32  12.780  32.157 -20.715
  346    H6     U  32           H6         U  32  14.760  33.370 -20.011
  347   1H5*    C  33          1H5*        C  33  20.704  30.522 -18.452
  348   2H5*    C  33          2H5*        C  33  21.803  29.741 -19.619
  349    H4*    C  33           H4*        C  33  20.993  28.220 -17.797
  350    H3*    C  33           H3*        C  33  20.110  27.511 -20.605
  351    H2*    C  33           H2*        C  33  19.308  25.440 -19.672
  352   2HO*    C  33          2HO*        C  33  19.744  24.928 -17.493
  353    H1*    C  33           H1*        C  33  18.130  26.718 -17.508
  354   1H4     C  33          1H4         C  33  13.800  25.986 -22.195
  355   2H4     C  33          2H4         C  33  13.725  27.734 -22.253
  356    H5     C  33           H5         C  33  15.272  29.165 -21.020
  357    H6     C  33           H6         C  33  17.185  29.189 -19.526
  358   1H5*    C  34          1H5*        C  34  22.582  23.750 -19.751
  359   2H5*    C  34          2H5*        C  34  23.370  23.560 -21.341
  360    H4*    C  34           H4*        C  34  22.098  21.532 -20.557
  361    H3*    C  34           H3*        C  34  20.926  22.840 -23.035
  362    H2*    C  34           H2*        C  34  19.703  20.762 -23.248
  363   2HO*    C  34          2HO*        C  34  21.514  19.423 -22.415
  364    H1*    C  34           H1*        C  34  19.044  20.839 -20.558
  365   1H4     C  34          1H4         C  34  14.287  23.758 -23.682
  366   2H4     C  34          2H4         C  34  15.171  25.270 -23.646
  367    H5     C  34           H5         C  34  17.469  25.454 -22.787
  368    H6     C  34           H6         C  34  19.311  24.214 -21.827
  Start of MODEL   13
    1   1H5*    G   1          1H5*        G   1   6.960  14.504 -16.415
    2   2H5*    G   1          2H5*        G   1   8.062  14.948 -17.718
    3    H4*    G   1           H4*        G   1   8.867  13.583 -15.139
    4    H3*    G   1           H3*        G   1   9.141  16.469 -16.013
    5    H2*    G   1           H2*        G   1  11.177  16.584 -14.761
    6   2HO*    G   1          2HO*        G   1  11.754  14.964 -13.319
    7    H1*    G   1           H1*        G   1  12.069  14.099 -15.587
    8    H8     G   1           H8         G   1  10.922  15.079 -18.847
    9    H1     G   1           H1         G   1  15.553  19.068 -16.965
   10   1H2     G   1          1H2         G   1  15.913  18.870 -14.794
   11   2H2     G   1          2H2         G   1  15.003  17.757 -13.796
   12   1H5*    G   2          1H5*        G   2   9.886  16.390 -11.852
   13   2H5*    G   2          2H5*        G   2   9.069  17.747 -11.032
   14    H4*    G   2           H4*        G   2  11.573  17.505 -10.611
   15    H3*    G   2           H3*        G   2  10.440  20.079 -11.729
   16    H2*    G   2           H2*        G   2  12.614  21.045 -11.650
   17   2HO*    G   2          2HO*        G   2  14.343  19.890 -10.640
   18    H1*    G   2           H1*        G   2  13.906  18.826 -12.623
   19    H8     G   2           H8         G   2  10.781  18.917 -14.676
   20    H1     G   2           H1         G   2  14.830  23.591 -16.293
   21   1H2     G   2          1H2         G   2  16.419  23.811 -14.776
   22   2H2     G   2          2H2         G   2  16.497  22.789 -13.355
   23   1H5*    A   3          1H5*        A   3  12.778  21.677  -8.834
   24   2H5*    A   3          2H5*        A   3  11.942  23.033  -8.028
   25    H4*    A   3           H4*        A   3  14.108  23.548  -9.350
   26    H3*    A   3           H3*        A   3  11.540  25.037  -9.929
   27    H2*    A   3           H2*        A   3  12.690  26.358 -11.466
   28   2HO*    A   3          2HO*        A   3  15.034  26.398 -11.481
   29    H1*    A   3           H1*        A   3  14.496  24.256 -12.234
   30    H8     A   3           H8         A   3  11.000  23.047 -12.673
   31   1H6     A   3          1H6         A   3  10.938  26.232 -18.013
   32   2H6     A   3          2H6         A   3  10.092  25.033 -17.056
   33    H2     A   3           H2         A   3  14.544  27.456 -15.660
   34   1H5*    G   4          1H5*        G   4  14.627  28.321  -8.716
   35   2H5*    G   4          2H5*        G   4  13.538  29.576  -8.069
   36    H4*    G   4           H4*        G   4  15.129  30.287  -9.935
   37    H3*    G   4           H3*        G   4  12.155  30.628 -10.416
   38    H2*    G   4           H2*        G   4  12.783  31.897 -12.352
   39   2HO*    G   4          2HO*        G   4  14.983  32.463 -12.685
   40    H1*    G   4           H1*        G   4  14.886  30.132 -12.984
   41    H8     G   4           H8         G   4  11.910  28.011 -12.156
   42    H1     G   4           H1         G   4  11.413  30.813 -17.889
   43   1H2     G   4          1H2         G   4  12.962  32.383 -18.108
   44   2H2     G   4          2H2         G   4  14.120  32.724 -16.845
   45   1H5*    G   5          1H5*        G   5  14.163  34.681 -10.615
   46   2H5*    G   5          2H5*        G   5  12.886  35.875 -10.256
   47    H4*    G   5           H4*        G   5  14.204  36.018 -12.516
   48    H3*    G   5           H3*        G   5  11.175  36.103 -12.456
   49    H2*    G   5           H2*        G   5  11.293  36.651 -14.782
   50   2HO*    G   5          2HO*        G   5  13.269  37.230 -15.742
   51    H1*    G   5           H1*        G   5  13.455  34.889 -15.233
   52    H8     G   5           H8         G   5  11.079  32.761 -13.352
   53    H1     G   5           H1         G   5   8.847  34.035 -19.206
   54   1H2     G   5          1H2         G   5   9.993  35.670 -20.152
   55   2H2     G   5          2H2         G   5  11.320  36.469 -19.334
   56   1H5*    A   6          1H5*        A   6  12.425  39.695 -14.633
   57   2H5*    A   6          2H5*        A   6  11.497  41.017 -13.876
   58    H4*    A   6           H4*        A   6  11.315  41.126 -16.309
   59    H3*    A   6           H3*        A   6   8.760  40.199 -14.967
   60    H2*    A   6           H2*        A   6   7.701  40.319 -17.103
   61   2HO*    A   6          2HO*        A   6   8.843  41.235 -18.890
   62    H1*    A   6           H1*        A   6   9.867  39.235 -18.460
   63    H8     A   6           H8         A   6   9.301  37.347 -15.201
   64   1H6     A   6          1H6         A   6   5.053  34.050 -18.286
   65   2H6     A   6          2H6         A   6   5.972  34.184 -16.801
   66    H2     A   6           H2         A   6   6.335  37.493 -20.871
   67   1H5*    C   7          1H5*        C   7   7.870  43.723 -17.574
   68   2H5*    C   7          2H5*        C   7   6.435  44.526 -16.888
   69    H4*    C   7           H4*        C   7   6.304  43.704 -19.327
   70    H3*    C   7           H3*        C   7   4.212  42.883 -17.292
   71    H2*    C   7           H2*        C   7   3.031  41.782 -19.038
   72   2HO*    C   7          2HO*        C   7   3.581  42.137 -21.217
   73    H1*    C   7           H1*        C   7   5.312  40.835 -20.312
   74   1H4     C   7          1H4         C   7   2.977  35.992 -16.875
   75   2H4     C   7          2H4         C   7   3.776  36.593 -15.441
   76    H5     C   7           H5         C   7   4.980  38.722 -15.390
   77    H6     C   7           H6         C   7   5.649  40.639 -16.705
   78   1H5*    A   8          1H5*        A   8   2.137  44.096 -21.091
   79   2H5*    A   8          2H5*        A   8   0.672  44.931 -20.511
   80    H4*    A   8           H4*        A   8   0.550  42.744 -22.037
   81    H3*    A   8           H3*        A   8  -1.227  43.383 -19.702
   82    H2*    A   8           H2*        A   8  -2.456  41.361 -20.098
   83   2HO*    A   8          2HO*        A   8  -2.085  40.107 -21.954
   84    H1*    A   8           H1*        A   8  -0.195  39.858 -20.630
   85    H8     A   8           H8         A   8   0.430  42.261 -17.807
   86   1H6     A   8          1H6         A   8  -1.906  37.875 -14.096
   87   2H6     A   8          2H6         A   8  -1.059  39.404 -14.139
   88    H2     A   8           H2         A   8  -2.681  36.713 -18.366
   89   1H5*    U   9          1H5*        U   9  -4.763  43.624 -22.348
   90   2H5*    U   9          2H5*        U   9  -3.714  42.738 -21.225
   91    H4*    U   9           H4*        U   9  -5.486  41.292 -23.193
   92    H3*    U   9           H3*        U   9  -6.249  42.344 -20.470
   93    H2*    U   9           H2*        U   9  -7.511  40.375 -20.207
   94   2HO*    U   9          2HO*        U   9  -8.554  40.380 -22.228
   95    H1*    U   9           H1*        U   9  -5.737  38.673 -21.506
   96    H3     U   9           H3         U   9  -5.667  36.998 -17.305
   97    H5     U   9           H5         U   9  -3.782  40.733 -16.953
   98    H6     U   9           H6         U   9  -4.336  41.167 -19.263
   99   1H5*    C  10          1H5*        C  10  -6.956  45.610 -19.479
  100   2H5*    C  10          2H5*        C  10  -6.134  44.038 -19.601
  101    H4*    C  10           H4*        C  10  -7.862  45.107 -17.500
  102    H3*    C  10           H3*        C  10  -5.464  43.757 -17.466
  103    H2*    C  10           H2*        C  10  -6.314  41.672 -18.179
  104   2HO*    C  10          2HO*        C  10  -5.472  41.395 -16.006
  105    H1*    C  10           H1*        C  10  -8.792  42.005 -16.506
  106   1H4     C  10          1H4         C  10 -10.806  38.146 -21.454
  107   2H4     C  10          2H4         C  10  -9.870  36.987 -20.540
  108    H5     C  10           H5         C  10  -8.463  37.619 -18.639
  109    H6     C  10           H6         C  10  -7.711  39.443 -17.277
  110   1H5*    C  11          1H5*        C  11  -5.678  41.877 -12.457
  111   2H5*    C  11          2H5*        C  11  -6.628  41.908 -13.966
  112    H4*    C  11           H4*        C  11  -7.505  43.292 -11.449
  113    H3*    C  11           H3*        C  11  -7.471  40.458 -11.715
  114    H2*    C  11           H2*        C  11  -9.184  40.316 -13.285
  115   2HO*    C  11          2HO*        C  11 -11.267  40.859 -11.754
  116    H1*    C  11           H1*        C  11 -10.521  42.782 -12.177
  117   1H4     C  11          1H4         C  11 -13.389  43.172 -17.858
  118   2H4     C  11          2H4         C  11 -12.630  41.686 -18.380
  119    H5     C  11           H5         C  11 -10.984  40.488 -17.018
  120    H6     C  11           H6         C  11  -9.762  40.498 -14.938
  121   1H5*    C  12          1H5*        C  12 -11.191  41.599  -9.887
  122   2H5*    C  12          2H5*        C  12 -12.087  42.626  -8.740
  123    H4*    C  12           H4*        C  12 -12.538  40.687  -7.702
  124    H3*    C  12           H3*        C  12 -10.366  41.684  -6.336
  125    H2*    C  12           H2*        C  12  -8.910  40.469  -7.841
  126   2HO*    C  12          2HO*        C  12  -8.238  38.566  -6.385
  127    H1*    C  12           H1*        C  12 -10.750  38.130  -7.205
  128   1H4     C  12          1H4         C  12  -6.213  35.144 -10.758
  129   2H4     C  12          2H4         C  12  -7.115  35.659 -12.164
  130    H5     C  12           H5         C  12  -9.014  37.199 -12.030
  131    H6     C  12           H6         C  12 -10.381  38.506 -10.532
  132   1H5*    U  13          1H5*        U  13 -13.922  37.909  -6.340
  133   2H5*    U  13          2H5*        U  13 -12.568  38.669  -7.198
  134    H4*    U  13           H4*        U  13 -14.020  39.486  -8.921
  135    H3*    U  13           H3*        U  13 -16.071  39.818  -7.363
  136    H2*    U  13           H2*        U  13 -16.024  37.619  -6.434
  137   2HO*    U  13          2HO*        U  13 -17.964  37.636  -8.492
  138    H1*    U  13           H1*        U  13 -16.041  36.258  -9.071
  139    H3     U  13           H3         U  13 -12.154  33.728  -7.284
  140    H5     U  13           H5         U  13 -15.567  33.753  -4.833
  141    H6     U  13           H6         U  13 -16.447  35.517  -6.188
  142   1H5*    C  14          1H5*        C  14 -14.505  40.900 -10.102
  143   2H5*    C  14          2H5*        C  14 -14.810  42.436 -10.949
  144    H4*    C  14           H4*        C  14 -13.800  41.639 -12.770
  145    H3*    C  14           H3*        C  14 -15.644  39.241 -12.602
  146    H2*    C  14           H2*        C  14 -14.387  38.381 -14.457
  147   2HO*    C  14          2HO*        C  14 -12.816  39.724 -15.473
  148    H1*    C  14           H1*        C  14 -11.957  39.271 -13.359
  149   1H4     C  14          1H4         C  14 -12.060  33.121 -11.685
  150   2H4     C  14          2H4         C  14 -13.579  33.297 -10.845
  151    H5     C  14           H5         C  14 -14.821  35.437 -10.760
  152    H6     C  14           H6         C  14 -14.810  37.743 -11.432
  153   1H5*    A  15          1H5*        A  15 -15.541  40.685 -16.906
  154   2H5*    A  15          2H5*        A  15 -16.867  39.846 -17.756
  155    H4*    A  15           H4*        A  15 -14.326  39.395 -18.379
  156    H3*    A  15           H3*        A  15 -16.372  37.184 -18.048
  157    H2*    A  15           H2*        A  15 -14.667  35.665 -18.820
  158   2HO*    A  15          2HO*        A  15 -12.666  36.537 -19.616
  159    H1*    A  15           H1*        A  15 -12.656  36.973 -17.330
  160    H8     A  15           H8         A  15 -15.587  36.775 -15.079
  161   1H6     A  15          1H6         A  15 -14.186  30.853 -14.015
  162   2H6     A  15          2H6         A  15 -15.172  32.204 -13.510
  163    H2     A  15           H2         A  15 -11.724  32.304 -17.472
  164   1H5*    C  16          1H5*        C  16 -15.086  36.453 -21.994
  165   2H5*    C  16          2H5*        C  16 -16.492  36.014 -23.004
  166    H4*    C  16           H4*        C  16 -14.697  34.270 -22.933
  167    H3*    C  16           H3*        C  16 -17.387  33.523 -21.763
  168    H2*    C  16           H2*        C  16 -16.566  31.295 -21.514
  169   2HO*    C  16          2HO*        C  16 -14.526  30.722 -22.409
  170    H1*    C  16           H1*        C  16 -14.082  32.114 -20.595
  171   1H4     C  16          1H4         C  16 -17.270  31.118 -15.196
  172   2H4     C  16          2H4         C  16 -18.459  32.339 -15.593
  173    H5     C  16           H5         C  16 -18.432  33.583 -17.701
  174    H6     C  16           H6         C  16 -17.245  33.899 -19.789
  175   1H5*    G  17          1H5*        G  17 -16.559  30.474 -24.621
  176   2H5*    G  17          2H5*        G  17 -18.091  29.833 -25.270
  177    H4*    G  17           H4*        G  17 -16.517  28.232 -23.974
  178    H3*    G  17           H3*        G  17 -19.438  28.501 -23.225
  179    H2*    G  17           H2*        G  17 -19.105  26.682 -21.703
  180   2HO*    G  17          2HO*        G  17 -17.148  25.493 -21.747
  181    H1*    G  17           H1*        G  17 -16.605  27.616 -20.869
  182    H8     G  17           H8         G  17 -18.890  30.607 -21.044
  183    H1     G  17           H1         G  17 -20.001  26.941 -15.930
  184   1H2     G  17          1H2         G  17 -18.957  24.999 -16.128
  185   2H2     G  17          2H2         G  17 -17.969  24.616 -17.518
  186   1H5*    G  18          1H5*        G  18 -18.817  24.411 -23.679
  187   2H5*    G  18          2H5*        G  18 -20.074  23.738 -24.752
  188    H4*    G  18           H4*        G  18 -19.928  22.412 -22.720
  189    H3*    G  18           H3*        G  18 -22.388  24.177 -22.779
  190    H2*    G  18           H2*        G  18 -23.106  23.096 -20.786
  191   2HO*    G  18          2HO*        G  18 -21.981  21.206 -20.037
  192    H1*    G  18           H1*        G  18 -20.513  22.932 -19.707
  193    H8     G  18           H8         G  18 -21.334  26.371 -21.186
  194    H1     G  18           H1         G  18 -23.477  25.533 -15.205
  195   1H2     G  18          1H2         G  18 -23.255  23.420 -14.598
  196   2H2     G  18          2H2         G  18 -22.565  22.212 -15.661
  197   1H5*    G  19          1H5*        G  19 -26.167  23.743 -22.720
  198   2H5*    G  19          2H5*        G  19 -24.564  24.091 -22.020
  199    H4*    G  19           H4*        G  19 -25.659  21.872 -20.606
  200    H3*    G  19           H3*        G  19 -27.569  24.215 -20.847
  201    H2*    G  19           H2*        G  19 -28.213  23.777 -18.581
  202   2HO*    G  19          2HO*        G  19 -27.847  21.856 -17.647
  203    H1*    G  19           H1*        G  19 -25.590  23.394 -17.749
  204    H8     G  19           H8         G  19 -25.167  26.265 -20.036
  205    H1     G  19           H1         G  19 -28.390  27.951 -14.778
  206   1H2     G  19          1H2         G  19 -29.039  26.159 -13.670
  207   2H2     G  19          2H2         G  19 -28.686  24.538 -14.226
  208   1H5*    U  20          1H5*        U  20 -30.508  24.779 -20.921
  209   2H5*    U  20          2H5*        U  20 -30.083  23.405 -19.870
  210    H4*    U  20           H4*        U  20 -32.809  24.132 -20.966
  211    H3*    U  20           H3*        U  20 -31.680  23.948 -18.167
  212    H2*    U  20           H2*        U  20 -33.835  23.304 -17.381
  213   2HO*    U  20          2HO*        U  20 -34.985  24.950 -18.595
  214    H1*    U  20           H1*        U  20 -34.486  21.841 -19.734
  215    H3     U  20           H3         U  20 -34.254  19.496 -15.583
  216    H5     U  20           H5         U  20 -30.782  18.706 -17.839
  217    H6     U  20           H6         U  20 -31.429  20.503 -19.340
  218   1H5*    G  21          1H5*        G  21 -33.671  26.529 -16.659
  219   2H5*    G  21          2H5*        G  21 -32.800  27.652 -15.583
  220    H4*    G  21           H4*        G  21 -33.993  25.776 -14.404
  221    H3*    G  21           H3*        G  21 -30.991  25.967 -14.149
  222    H2*    G  21           H2*        G  21 -31.017  24.114 -12.665
  223   2HO*    G  21          2HO*        G  21 -32.709  24.630 -11.298
  224    H1*    G  21           H1*        G  21 -33.107  22.780 -13.995
  225    H8     G  21           H8         G  21 -30.297  24.125 -16.237
  226    H1     G  21           H1         G  21 -29.290  18.222 -14.002
  227   1H2     G  21          1H2         G  21 -30.827  17.694 -12.503
  228   2H2     G  21          2H2         G  21 -32.104  18.796 -12.049
  229   1H5*    A  22          1H5*        A  22 -32.637  26.456 -10.126
  230   2H5*    A  22          2H5*        A  22 -31.574  27.407  -9.050
  231    H4*    A  22           H4*        A  22 -31.993  25.127  -8.180
  232    H3*    A  22           H3*        A  22 -29.164  25.704  -9.087
  233    H2*    A  22           H2*        A  22 -28.526  23.537  -8.257
  234   2HO*    A  22          2HO*        A  22 -29.863  23.630  -6.331
  235    H1*    A  22           H1*        A  22 -30.752  22.277  -9.282
  236    H8     A  22           H8         A  22 -29.081  25.045 -11.424
  237   1H6     A  22          1H6         A  22 -25.995  20.437 -14.134
  238   2H6     A  22          2H6         A  22 -26.312  22.157 -14.149
  239    H2     A  22           H2         A  22 -28.400  18.731 -10.767
  240   1H5*    C  23          1H5*        C  23 -25.355  25.801  -6.485
  241   2H5*    C  23          2H5*        C  23 -26.016  26.565  -7.955
  242    H4*    C  23           H4*        C  23 -25.702  23.576  -7.634
  243    H3*    C  23           H3*        C  23 -23.766  25.581  -8.798
  244    H2*    C  23           H2*        C  23 -23.163  23.981 -10.469
  245   2HO*    C  23          2HO*        C  23 -23.925  21.846 -10.356
  246    H1*    C  23           H1*        C  23 -25.723  23.244 -11.025
  247   1H4     C  23          1H4         C  23 -24.399  28.072 -14.989
  248   2H4     C  23          2H4         C  23 -25.063  29.202 -13.830
  249    H5     C  23           H5         C  23 -25.777  28.531 -11.575
  250    H6     C  23           H6         C  23 -25.990  26.671 -10.054
  251   1H5*    C  24          1H5*        C  24 -21.759  21.892  -8.618
  252   2H5*    C  24          2H5*        C  24 -20.073  22.081  -8.066
  253    H4*    C  24           H4*        C  24 -20.285  20.871 -10.241
  254    H3*    C  24           H3*        C  24 -18.866  23.545 -10.290
  255    H2*    C  24           H2*        C  24 -18.327  23.136 -12.586
  256   2HO*    C  24          2HO*        C  24 -18.772  21.095 -13.525
  257    H1*    C  24           H1*        C  24 -20.837  22.154 -13.211
  258   1H4     C  24          1H4         C  24 -20.879  28.378 -14.693
  259   2H4     C  24          2H4         C  24 -21.533  28.733 -13.112
  260    H5     C  24           H5         C  24 -21.797  27.031 -11.359
  261    H6     C  24           H6         C  24 -21.463  24.709 -10.824
  262   1H5*    G  25          1H5*        G  25 -16.274  20.799 -12.108
  263   2H5*    G  25          2H5*        G  25 -14.571  21.087 -11.660
  264    H4*    G  25           H4*        G  25 -15.128  21.098 -14.155
  265    H3*    G  25           H3*        G  25 -13.802  23.500 -12.878
  266    H2*    G  25           H2*        G  25 -13.608  24.468 -15.055
  267   2HO*    G  25          2HO*        G  25 -14.079  23.239 -16.914
  268    H1*    G  25           H1*        G  25 -16.146  23.698 -15.850
  269    H8     G  25           H8         G  25 -16.312  24.834 -12.239
  270    H1     G  25           H1         G  25 -16.208  29.688 -16.395
  271   1H2     G  25          1H2         G  25 -15.700  28.974 -18.418
  272   2H2     G  25          2H2         G  25 -15.401  27.281 -18.757
  273   1H5*    U  26          1H5*        U  26 -11.519  22.257 -16.303
  274   2H5*    U  26          2H5*        U  26  -9.794  22.669 -16.114
  275    H4*    U  26           H4*        U  26 -11.056  23.678 -18.120
  276    H3*    U  26           H3*        U  26  -9.573  25.464 -16.176
  277    H2*    U  26           H2*        U  26 -10.045  27.296 -17.646
  278   2HO*    U  26          2HO*        U  26 -11.056  26.876 -19.685
  279    H1*    U  26           H1*        U  26 -12.652  26.501 -18.100
  280    H3     U  26           H3         U  26 -13.220  30.202 -15.582
  281    H5     U  26           H5         U  26 -11.728  27.360 -12.848
  282    H6     U  26           H6         U  26 -11.400  25.842 -14.710
  283   1H5*    G  27          1H5*        G  27  -8.516  26.903 -19.638
  284   2H5*    G  27          2H5*        G  27  -6.753  27.072 -19.818
  285    H4*    G  27           H4*        G  27  -8.214  29.156 -20.202
  286    H3*    G  27           H3*        G  27  -5.612  28.960 -18.966
  287    H2*    G  27           H2*        G  27  -6.299  29.908 -16.939
  288   2HO*    G  27          2HO*        G  27  -6.425  32.224 -18.587
  289    H1*    G  27           H1*        G  27  -8.608  31.309 -18.323
  290    H8     G  27           H8         G  27  -8.429  28.691 -15.476
  291    H1     G  27           H1         G  27 -10.739  34.391 -13.690
  292   1H2     G  27          1H2         G  27 -10.574  35.848 -15.335
  293   2H2     G  27          2H2         G  27  -9.906  35.425 -16.898
  294   1H5*    G  28          1H5*        G  28  -3.499  30.060 -22.491
  295   2H5*    G  28          2H5*        G  28  -3.895  31.154 -21.138
  296    H4*    G  28           H4*        G  28  -4.002  32.338 -23.847
  297    H3*    G  28           H3*        G  28  -1.396  31.446 -22.594
  298    H2*    G  28           H2*        G  28  -0.374  33.457 -23.391
  299   2HO*    G  28          2HO*        G  28  -1.544  34.866 -24.772
  300    H1*    G  28           H1*        G  28  -2.453  35.072 -22.613
  301    H8     G  28           H8         G  28  -1.961  32.227 -20.072
  302    H1     G  28           H1         G  28   1.980  37.192 -19.255
  303   1H2     G  28          1H2         G  28   1.846  38.584 -20.961
  304   2H2     G  28          2H2         G  28   0.770  38.302 -22.312
  305   1H5*    U  29          1H5*        U  29  -0.269  32.818 -26.291
  306   2H5*    U  29          2H5*        U  29   0.782  31.643 -27.127
  307    H4*    U  29           H4*        U  29   1.821  33.865 -27.044
  308    H3*    U  29           H3*        U  29   3.144  31.813 -25.252
  309    H2*    U  29           H2*        U  29   4.853  33.418 -24.827
  310   2HO*    U  29          2HO*        U  29   4.939  35.364 -26.027
  311    H1*    U  29           H1*        U  29   3.071  35.539 -24.592
  312    H3     U  29           H3         U  29   4.775  34.854 -20.420
  313    H5     U  29           H5         U  29   1.870  31.841 -20.891
  314    H6     U  29           H6         U  29   1.649  32.503 -23.207
  315   1H5*    C  30          1H5*        C  30   6.200  33.395 -28.151
  316   2H5*    C  30          2H5*        C  30   7.509  32.186 -28.265
  317    H4*    C  30           H4*        C  30   8.108  34.569 -27.464
  318    H3*    C  30           H3*        C  30   8.872  32.152 -25.807
  319    H2*    C  30           H2*        C  30  10.109  33.646 -24.399
  320   2HO*    C  30          2HO*        C  30  10.417  35.824 -25.015
  321    H1*    C  30           H1*        C  30   8.115  35.609 -24.445
  322   1H4     C  30          1H4         C  30   7.197  32.233 -19.079
  323   2H4     C  30          2H4         C  30   6.210  31.096 -19.965
  324    H5     C  30           H5         C  30   5.939  31.181 -22.396
  325    H6     C  30           H6         C  30   6.552  32.372 -24.399
  326   1H5*    C  31          1H5*        C  31  12.620  34.168 -26.561
  327   2H5*    C  31          2H5*        C  31  13.942  32.975 -26.432
  328    H4*    C  31           H4*        C  31  13.791  34.944 -24.714
  329    H3*    C  31           H3*        C  31  14.148  32.069 -23.836
  330    H2*    C  31           H2*        C  31  14.437  32.909 -21.612
  331   2HO*    C  31          2HO*        C  31  14.685  35.150 -21.245
  332    H1*    C  31           H1*        C  31  12.419  34.860 -21.928
  333   1H4     C  31          1H4         C  31   9.914  29.876 -18.728
  334   2H4     C  31          2H4         C  31   9.277  29.276 -20.241
  335    H5     C  31           H5         C  31   9.821  30.278 -22.412
  336    H6     C  31           H6         C  31  11.067  32.027 -23.513
  337   1H5*    U  32          1H5*        U  32  17.110  33.686 -21.708
  338   2H5*    U  32          2H5*        U  32  18.646  32.884 -22.137
  339    H4*    U  32           H4*        U  32  18.366  32.850 -19.731
  340    H3*    U  32           H3*        U  32  17.812  30.139 -20.964
  341    H2*    U  32           H2*        U  32  17.668  29.271 -18.745
  342   2HO*    U  32          2HO*        U  32  18.254  30.637 -16.957
  343    H1*    U  32           H1*        U  32  16.326  31.538 -17.767
  344    H3     U  32           H3         U  32  13.640  27.807 -17.501
  345    H5     U  32           H5         U  32  13.013  29.399 -21.340
  346    H6     U  32           H6         U  32  14.887  30.892 -20.955
  347   1H5*    C  33          1H5*        C  33  20.833  29.699 -17.974
  348   2H5*    C  33          2H5*        C  33  22.120  28.611 -18.559
  349    H4*    C  33           H4*        C  33  21.220  28.034 -16.287
  350    H3*    C  33           H3*        C  33  20.819  25.996 -18.489
  351    H2*    C  33           H2*        C  33  19.952  24.512 -16.843
  352   2HO*    C  33          2HO*        C  33  20.206  24.990 -14.609
  353    H1*    C  33           H1*        C  33  18.686  26.544 -15.379
  354   1H4     C  33          1H4         C  33  13.777  24.111 -18.593
  355   2H4     C  33          2H4         C  33  14.720  23.947 -20.056
  356    H5     C  33           H5         C  33  17.067  24.630 -20.208
  357    H6     C  33           H6         C  33  18.916  25.607 -18.988
  358   1H5*    C  34          1H5*        C  34  22.843  24.313 -14.999
  359   2H5*    C  34          2H5*        C  34  23.848  22.910 -15.448
  360    H4*    C  34           H4*        C  34  21.937  22.609 -13.685
  361    H3*    C  34           H3*        C  34  22.231  20.745 -16.054
  362    H2*    C  34           H2*        C  34  20.501  19.418 -15.089
  363   2HO*    C  34          2HO*        C  34  19.801  19.787 -12.954
  364    H1*    C  34           H1*        C  34  19.012  21.655 -14.242
  365   1H4     C  34          1H4         C  34  16.315  19.515 -19.629
  366   2H4     C  34          2H4         C  34  17.397  20.518 -20.570
  367    H5     C  34           H5         C  34  19.245  21.795 -19.560
  368    H6     C  34           H6         C  34  20.339  22.352 -17.497
  Start of MODEL   14
    1   1H5*    G   1          1H5*        G   1   0.810  17.307 -10.144
    2   2H5*    G   1          2H5*        G   1   1.943  17.066 -11.473
    3    H4*    G   1           H4*        G   1   2.576  16.669  -8.541
    4    H3*    G   1           H3*        G   1   3.253  18.949 -10.415
    5    H2*    G   1           H2*        G   1   5.309  19.239  -9.208
    6   2HO*    G   1          2HO*        G   1   5.705  18.023  -7.320
    7    H1*    G   1           H1*        G   1   5.909  16.580  -9.209
    8    H8     G   1           H8         G   1   4.302  16.753 -12.509
    9    H1     G   1           H1         G   1   9.796  20.027 -12.507
   10   1H2     G   1          1H2         G   1  10.506  20.352 -10.437
   11   2H2     G   1          2H2         G   1   9.624  19.756  -9.048
   12   1H5*    G   2          1H5*        G   2   4.231  20.515  -6.718
   13   2H5*    G   2          2H5*        G   2   3.394  22.074  -6.492
   14    H4*    G   2           H4*        G   2   5.785  22.281  -6.000
   15    H3*    G   2           H3*        G   2   4.956  23.649  -8.574
   16    H2*    G   2           H2*        G   2   7.164  24.576  -8.664
   17   2HO*    G   2          2HO*        G   2   8.606  24.262  -6.913
   18    H1*    G   2           H1*        G   2   8.374  22.188  -8.008
   19    H8     G   2           H8         G   2   5.662  21.014 -10.233
   20    H1     G   2           H1         G   2  10.174  24.201 -13.458
   21   1H2     G   2          1H2         G   2  11.500  25.264 -12.044
   22   2H2     G   2          2H2         G   2  11.269  25.199 -10.313
   23   1H5*    A   3          1H5*        A   3   6.989  26.546  -6.139
   24   2H5*    A   3          2H5*        A   3   6.275  28.161  -6.394
   25    H4*    A   3           H4*        A   3   8.810  27.853  -6.822
   26    H3*    A   3           H3*        A   3   7.030  29.032  -8.969
   27    H2*    A   3           H2*        A   3   9.015  29.517 -10.188
   28   2HO*    A   3          2HO*        A   3  11.071  29.319  -9.195
   29    H1*    A   3           H1*        A   3  10.262  27.082  -9.403
   30    H8     A   3           H8         A   3   7.029  25.807 -10.480
   31   1H6     A   3          1H6         A   3   8.603  26.854 -16.372
   32   2H6     A   3          2H6         A   3   7.478  26.050 -15.304
   33    H2     A   3           H2         A   3  11.497  29.054 -13.736
   34   1H5*    G   4          1H5*        G   4  10.065  32.120  -8.052
   35   2H5*    G   4          2H5*        G   4   9.287  33.709  -8.285
   36    H4*    G   4           H4*        G   4  11.436  33.252  -9.605
   37    H3*    G   4           H3*        G   4   8.910  34.006 -11.099
   38    H2*    G   4           H2*        G   4  10.270  34.172 -13.069
   39   2HO*    G   4          2HO*        G   4  12.568  33.957 -12.873
   40    H1*    G   4           H1*        G   4  11.697  31.850 -12.463
   41    H8     G   4           H8         G   4   8.114  31.109 -11.621
   42    H1     G   4           H1         G   4   9.221  31.084 -17.925
   43   1H2     G   4          1H2         G   4  11.215  31.940 -18.358
   44   2H2     G   4          2H2         G   4  12.267  32.529 -17.090
   45   1H5*    G   5          1H5*        G   5  11.888  36.900 -12.199
   46   2H5*    G   5          2H5*        G   5  11.151  38.525 -12.225
   47    H4*    G   5           H4*        G   5  12.426  37.825 -14.317
   48    H3*    G   5           H3*        G   5   9.501  38.572 -14.565
   49    H2*    G   5           H2*        G   5   9.778  38.435 -16.939
   50   2HO*    G   5          2HO*        G   5  11.876  38.128 -17.829
   51    H1*    G   5           H1*        G   5  11.303  36.120 -16.808
   52    H8     G   5           H8         G   5   8.217  36.616 -14.499
   53    H1     G   5           H1         G   5   7.103  33.404 -19.915
   54   1H2     G   5          1H2         G   5   8.904  33.397 -21.189
   55   2H2     G   5          2H2         G   5  10.397  34.166 -20.692
   56   1H5*    A   6          1H5*        A   6  11.748  40.926 -17.379
   57   2H5*    A   6          2H5*        A   6  10.914  42.472 -17.687
   58    H4*    A   6           H4*        A   6  11.284  40.968 -19.709
   59    H3*    A   6           H3*        A   6   8.454  41.746 -18.972
   60    H2*    A   6           H2*        A   6   7.744  40.717 -21.015
   61   2HO*    A   6          2HO*        A   6   9.343  39.991 -22.529
   62    H1*    A   6           H1*        A   6   9.524  38.569 -20.747
   63    H8     A   6           H8         A   6   7.846  39.391 -17.427
   64   1H6     A   6          1H6         A   6   3.157  35.795 -19.267
   65   2H6     A   6          2H6         A   6   3.847  36.687 -17.928
   66    H2     A   6           H2         A   6   5.922  36.357 -22.734
   67   1H5*    C   7          1H5*        C   7   8.358  42.433 -22.756
   68   2H5*    C   7          2H5*        C   7   7.876  44.108 -23.116
   69    H4*    C   7           H4*        C   7   6.436  42.655 -24.357
   70    H3*    C   7           H3*        C   7   5.058  43.766 -21.896
   71    H2*    C   7           H2*        C   7   3.072  42.668 -22.560
   72   2HO*    C   7          2HO*        C   7   2.823  41.857 -24.668
   73    H1*    C   7           H1*        C   7   4.346  40.407 -23.591
   74   1H4     C   7          1H4         C   7   2.055  38.453 -18.055
   75   2H4     C   7          2H4         C   7   3.107  39.523 -17.150
   76    H5     C   7           H5         C   7   4.631  41.127 -18.239
   77    H6     C   7           H6         C   7   5.442  41.922 -20.404
   78   1H5*    A   8          1H5*        A   8   1.580  46.095 -21.667
   79   2H5*    A   8          2H5*        A   8   2.244  44.461 -21.392
   80    H4*    A   8           H4*        A   8   0.026  44.887 -23.373
   81    H3*    A   8           H3*        A   8  -0.313  44.559 -20.388
   82    H2*    A   8           H2*        A   8  -2.337  43.343 -20.870
   83   2HO*    A   8          2HO*        A   8  -3.033  43.126 -23.033
   84    H1*    A   8           H1*        A   8  -1.110  41.766 -22.704
   85    H8     A   8           H8         A   8   1.214  42.990 -19.927
   86   1H6     A   8          1H6         A   8  -0.478  37.840 -16.908
   87   2H6     A   8          2H6         A   8   0.605  39.213 -16.889
   88    H2     A   8           H2         A   8  -2.997  38.250 -20.602
   89   1H5*    U   9          1H5*        U   9  -3.662  45.683 -22.799
   90   2H5*    U   9          2H5*        U   9  -4.641  46.956 -22.032
   91    H4*    U   9           H4*        U   9  -6.099  45.330 -23.054
   92    H3*    U   9           H3*        U   9  -6.028  45.283 -20.037
   93    H2*    U   9           H2*        U   9  -7.349  43.375 -19.986
   94   2HO*    U   9          2HO*        U   9  -8.996  44.569 -21.294
   95    H1*    U   9           H1*        U   9  -6.820  42.486 -22.668
   96    H3     U   9           H3         U   9  -6.233  38.548 -20.589
   97    H5     U   9           H5         U   9  -3.420  41.069 -18.733
   98    H6     U   9           H6         U   9  -4.324  42.915 -20.023
   99   1H5*    C  10          1H5*        C  10  -8.967  44.554 -19.401
  100   2H5*    C  10          2H5*        C  10  -9.826  45.590 -18.239
  101    H4*    C  10           H4*        C  10  -8.798  44.660 -16.427
  102    H3*    C  10           H3*        C  10  -6.348  44.584 -18.000
  103    H2*    C  10           H2*        C  10  -6.475  42.272 -18.400
  104   2HO*    C  10          2HO*        C  10  -4.909  42.448 -16.638
  105    H1*    C  10           H1*        C  10  -8.220  41.944 -15.955
  106   1H4     C  10          1H4         C  10  -9.643  36.295 -18.457
  107   2H4     C  10          2H4         C  10  -9.230  36.831 -20.068
  108    H5     C  10           H5         C  10  -8.459  39.111 -20.548
  109    H6     C  10           H6         C  10  -7.947  41.256 -19.587
  110   1H5*    C  11          1H5*        C  11  -4.030  43.553 -13.137
  111   2H5*    C  11          2H5*        C  11  -5.616  43.263 -13.903
  112    H4*    C  11           H4*        C  11  -5.075  44.979 -11.459
  113    H3*    C  11           H3*        C  11  -5.319  42.291 -11.282
  114    H2*    C  11           H2*        C  11  -7.247  42.169 -12.674
  115   2HO*    C  11          2HO*        C  11  -9.016  41.718 -11.276
  116    H1*    C  11           H1*        C  11  -8.533  44.381 -11.056
  117   1H4     C  11          1H4         C  11 -12.387  45.138 -16.111
  118   2H4     C  11          2H4         C  11 -11.977  43.523 -16.639
  119    H5     C  11           H5         C  11 -10.252  42.168 -15.549
  120    H6     C  11           H6         C  11  -8.605  42.122 -13.787
  121   1H5*    C  12          1H5*        C  12  -6.398  39.289  -8.616
  122   2H5*    C  12          2H5*        C  12  -5.343  40.194  -7.498
  123    H4*    C  12           H4*        C  12  -4.056  38.389  -8.314
  124    H3*    C  12           H3*        C  12  -3.129  40.977  -8.900
  125    H2*    C  12           H2*        C  12  -3.739  40.843 -11.207
  126   2HO*    C  12          2HO*        C  12  -1.399  41.046 -11.086
  127    H1*    C  12           H1*        C  12  -2.883  37.944 -11.148
  128   1H4     C  12          1H4         C  12  -5.282  38.088 -17.059
  129   2H4     C  12          2H4         C  12  -6.815  38.670 -16.449
  130    H5     C  12           H5         C  12  -7.181  39.239 -14.085
  131    H6     C  12           H6         C  12  -6.134  39.345 -11.908
  132   1H5*    U  13          1H5*        U  13  -0.686  35.851  -7.716
  133   2H5*    U  13          2H5*        U  13  -1.000  37.079  -8.970
  134    H4*    U  13           H4*        U  13  -3.290  36.960  -7.305
  135    H3*    U  13           H3*        U  13  -2.110  34.287  -7.573
  136    H2*    U  13           H2*        U  13  -3.242  33.794  -9.525
  137   2HO*    U  13          2HO*        U  13  -5.547  34.073  -7.906
  138    H1*    U  13           H1*        U  13  -5.199  36.050  -8.992
  139    H3     U  13           H3         U  13  -6.895  36.412 -13.133
  140    H5     U  13           H5         U  13  -3.360  34.238 -13.778
  141    H6     U  13           H6         U  13  -2.863  34.470 -11.414
  142   1H5*    C  14          1H5*        C  14  -7.670  36.372  -5.123
  143   2H5*    C  14          2H5*        C  14  -8.248  34.684  -5.089
  144    H4*    C  14           H4*        C  14  -7.751  36.499  -7.404
  145    H3*    C  14           H3*        C  14  -9.741  34.266  -6.849
  146    H2*    C  14           H2*        C  14  -9.867  33.849  -9.179
  147   2HO*    C  14          2HO*        C  14  -9.353  35.575 -10.673
  148    H1*    C  14           H1*        C  14  -7.315  35.154  -9.721
  149   1H4     C  14          1H4         C  14  -7.076  28.530 -10.505
  150   2H4     C  14          2H4         C  14  -5.801  29.178 -11.512
  151    H5     C  14           H5         C  14  -5.270  31.581 -11.624
  152    H6     C  14           H6         C  14  -5.877  33.738 -10.802
  153   1H5*    A  15          1H5*        A  15 -12.459  37.589  -9.101
  154   2H5*    A  15          2H5*        A  15 -13.965  36.675  -9.403
  155    H4*    A  15           H4*        A  15 -11.779  37.166 -11.187
  156    H3*    A  15           H3*        A  15 -14.193  35.356 -11.491
  157    H2*    A  15           H2*        A  15 -13.245  34.755 -13.626
  158   2HO*    A  15          2HO*        A  15 -11.537  35.963 -14.509
  159    H1*    A  15           H1*        A  15 -10.604  34.802 -12.551
  160    H8     A  15           H8         A  15 -12.678  32.894 -10.135
  161   1H6     A  15          1H6         A  15 -12.273  28.025 -13.925
  162   2H6     A  15          2H6         A  15 -12.742  28.572 -12.332
  163    H2     A  15           H2         A  15 -10.767  31.663 -16.094
  164   1H5*    C  16          1H5*        C  16 -13.983  37.514 -15.116
  165   2H5*    C  16          2H5*        C  16 -15.626  37.958 -15.651
  166    H4*    C  16           H4*        C  16 -14.343  36.739 -17.391
  167    H3*    C  16           H3*        C  16 -16.695  35.207 -16.252
  168    H2*    C  16           H2*        C  16 -16.326  33.611 -17.999
  169   2HO*    C  16          2HO*        C  16 -14.910  34.056 -19.700
  170    H1*    C  16           H1*        C  16 -13.547  33.711 -17.700
  171   1H4     C  16          1H4         C  16 -15.202  28.611 -14.289
  172   2H4     C  16          2H4         C  16 -16.115  29.586 -13.159
  173    H5     C  16           H5         C  16 -16.395  32.004 -13.418
  174    H6     C  16           H6         C  16 -15.832  33.922 -14.790
  175   1H5*    G  17          1H5*        G  17 -17.532  35.446 -20.463
  176   2H5*    G  17          2H5*        G  17 -19.298  35.457 -20.696
  177    H4*    G  17           H4*        G  17 -18.026  33.553 -21.804
  178    H3*    G  17           H3*        G  17 -20.162  32.852 -19.774
  179    H2*    G  17           H2*        G  17 -19.874  30.574 -20.452
  180   2HO*    G  17          2HO*        G  17 -18.637  30.061 -22.290
  181    H1*    G  17           H1*        G  17 -17.090  30.809 -20.621
  182    H8     G  17           H8         G  17 -18.018  32.528 -17.436
  183    H1     G  17           H1         G  17 -18.522  26.172 -16.989
  184   1H2     G  17          1H2         G  17 -18.426  25.246 -19.000
  185   2H2     G  17          2H2         G  17 -18.221  26.202 -20.450
  186   1H5*    G  18          1H5*        G  18 -21.304  30.805 -23.425
  187   2H5*    G  18          2H5*        G  18 -23.031  31.171 -23.681
  188    H4*    G  18           H4*        G  18 -22.670  28.785 -23.920
  189    H3*    G  18           H3*        G  18 -23.991  29.452 -21.275
  190    H2*    G  18           H2*        G  18 -24.290  27.095 -20.975
  191   2HO*    G  18          2HO*        G  18 -23.878  25.648 -22.658
  192    H1*    G  18           H1*        G  18 -21.734  26.493 -21.859
  193    H8     G  18           H8         G  18 -21.713  29.665 -19.738
  194    H1     G  18           H1         G  18 -21.773  24.271 -16.293
  195   1H2     G  18          1H2         G  18 -22.153  22.530 -17.600
  196   2H2     G  18          2H2         G  18 -22.377  22.694 -19.328
  197   1H5*    G  19          1H5*        G  19 -26.471  26.547 -22.849
  198   2H5*    G  19          2H5*        G  19 -28.175  27.006 -22.593
  199    H4*    G  19           H4*        G  19 -27.593  24.759 -21.666
  200    H3*    G  19           H3*        G  19 -28.357  26.868 -19.629
  201    H2*    G  19           H2*        G  19 -28.366  25.105 -17.998
  202   2HO*    G  19          2HO*        G  19 -28.519  23.013 -18.573
  203    H1*    G  19           H1*        G  19 -26.020  23.963 -19.004
  204    H8     G  19           H8         G  19 -25.552  27.719 -19.011
  205    H1     G  19           H1         G  19 -24.942  25.132 -13.190
  206   1H2     G  19          1H2         G  19 -25.625  23.038 -13.208
  207   2H2     G  19          2H2         G  19 -26.234  22.267 -14.655
  208   1H5*    U  20          1H5*        U  20 -32.933  27.364 -18.329
  209   2H5*    U  20          2H5*        U  20 -31.516  28.072 -17.512
  210    H4*    U  20           H4*        U  20 -32.965  27.094 -15.847
  211    H3*    U  20           H3*        U  20 -30.500  25.423 -16.381
  212    H2*    U  20           H2*        U  20 -31.209  23.880 -14.747
  213   2HO*    U  20          2HO*        U  20 -32.773  24.426 -13.192
  214    H1*    U  20           H1*        U  20 -33.965  24.207 -15.226
  215    H3     U  20           H3         U  20 -33.520  19.826 -16.186
  216    H5     U  20           H5         U  20 -31.171  21.699 -19.135
  217    H6     U  20           H6         U  20 -31.592  23.817 -18.037
  218   1H5*    G  21          1H5*        G  21 -30.534  25.437 -12.145
  219   2H5*    G  21          2H5*        G  21 -28.830  25.364 -11.625
  220    H4*    G  21           H4*        G  21 -30.338  23.343 -11.089
  221    H3*    G  21           H3*        G  21 -27.691  23.074 -12.503
  222    H2*    G  21           H2*        G  21 -27.970  20.727 -12.672
  223   2HO*    G  21          2HO*        G  21 -29.540  19.637 -11.444
  224    H1*    G  21           H1*        G  21 -30.709  20.796 -13.147
  225    H8     G  21           H8         G  21 -28.811  23.440 -15.159
  226    H1     G  21           H1         G  21 -29.035  17.696 -17.948
  227   1H2     G  21          1H2         G  21 -29.863  16.193 -16.553
  228   2H2     G  21          2H2         G  21 -30.365  16.605 -14.931
  229   1H5*    A  22          1H5*        A  22 -27.799  20.291  -9.372
  230   2H5*    A  22          2H5*        A  22 -26.251  20.078  -8.508
  231    H4*    A  22           H4*        A  22 -27.096  17.937  -9.406
  232    H3*    A  22           H3*        A  22 -24.597  19.064 -10.655
  233    H2*    A  22           H2*        A  22 -24.425  17.188 -12.100
  234   2HO*    A  22          2HO*        A  22 -24.973  15.599 -10.463
  235    H1*    A  22           H1*        A  22 -27.162  17.000 -12.593
  236    H8     A  22           H8         A  22 -25.415  20.464 -12.538
  237   1H6     A  22          1H6         A  22 -25.163  19.894 -18.683
  238   2H6     A  22          2H6         A  22 -24.848  20.951 -17.325
  239    H2     A  22           H2         A  22 -26.815  16.099 -16.982
  240   1H5*    C  23          1H5*        C  23 -20.380  17.461 -10.688
  241   2H5*    C  23          2H5*        C  23 -21.298  18.991 -10.684
  242    H4*    C  23           H4*        C  23 -21.558  16.875 -12.829
  243    H3*    C  23           H3*        C  23 -19.805  19.335 -12.752
  244    H2*    C  23           H2*        C  23 -20.184  19.621 -15.100
  245   2HO*    C  23          2HO*        C  23 -21.345  18.045 -16.274
  246    H1*    C  23           H1*        C  23 -22.862  19.237 -14.937
  247   1H4     C  23          1H4         C  23 -21.918  25.493 -13.992
  248   2H4     C  23          2H4         C  23 -21.840  25.220 -12.265
  249    H5     C  23           H5         C  23 -21.861  22.967 -11.269
  250    H6     C  23           H6         C  23 -21.967  20.612 -11.756
  251   1H5*    C  24          1H5*        C  24 -18.719  17.123 -16.132
  252   2H5*    C  24          2H5*        C  24 -16.956  17.115 -16.402
  253    H4*    C  24           H4*        C  24 -18.256  17.920 -18.372
  254    H3*    C  24           H3*        C  24 -16.474  19.969 -17.033
  255    H2*    C  24           H2*        C  24 -16.965  21.426 -18.883
  256   2HO*    C  24          2HO*        C  24 -18.220  20.650 -20.635
  257    H1*    C  24           H1*        C  24 -19.658  20.897 -18.786
  258   1H4     C  24          1H4         C  24 -18.618  25.963 -15.004
  259   2H4     C  24          2H4         C  24 -18.519  24.889 -13.628
  260    H5     C  24           H5         C  24 -18.545  22.444 -13.834
  261    H6     C  24           H6         C  24 -18.653  20.613 -15.392
  262   1H5*    G  25          1H5*        G  25 -15.164  20.031 -20.985
  263   2H5*    G  25          2H5*        G  25 -13.381  20.101 -21.056
  264    H4*    G  25           H4*        G  25 -14.524  21.944 -22.304
  265    H3*    G  25           H3*        G  25 -12.852  22.775 -19.917
  266    H2*    G  25           H2*        G  25 -13.175  25.040 -20.649
  267   2HO*    G  25          2HO*        G  25 -14.310  25.441 -22.612
  268    H1*    G  25           H1*        G  25 -15.866  24.683 -21.051
  269    H8     G  25           H8         G  25 -15.160  22.591 -18.033
  270    H1     G  25           H1         G  25 -15.009  28.841 -16.700
  271   1H2     G  25          1H2         G  25 -14.960  30.028 -18.561
  272   2H2     G  25          2H2         G  25 -14.986  29.279 -20.144
  273   1H5*    U  26          1H5*        U  26 -11.464  25.173 -22.745
  274   2H5*    U  26          2H5*        U  26  -9.697  25.405 -22.666
  275    H4*    U  26           H4*        U  26 -11.174  27.486 -22.394
  276    H3*    U  26           H3*        U  26  -9.185  26.784 -20.220
  277    H2*    U  26           H2*        U  26  -9.696  28.919 -19.254
  278   2HO*    U  26          2HO*        U  26 -10.984  30.414 -20.383
  279    H1*    U  26           H1*        U  26 -12.419  28.648 -19.713
  280    H3     U  26           H3         U  26 -11.059  28.523 -15.229
  281    H5     U  26           H5         U  26 -11.694  24.559 -16.512
  282    H6     U  26           H6         U  26 -11.820  25.383 -18.787
  283   1H5*    G  27          1H5*        G  27  -8.677  30.606 -20.667
  284   2H5*    G  27          2H5*        G  27  -7.001  30.999 -21.094
  285    H4*    G  27           H4*        G  27  -8.038  32.306 -19.174
  286    H3*    G  27           H3*        G  27  -5.362  31.116 -19.290
  287    H2*    G  27           H2*        G  27  -5.569  30.051 -17.232
  288   2HO*    G  27          2HO*        G  27  -5.565  32.741 -16.308
  289    H1*    G  27           H1*        G  27  -7.828  31.913 -16.441
  290    H8     G  27           H8         G  27  -7.372  28.071 -16.887
  291    H1     G  27           H1         G  27  -9.297  29.926 -11.076
  292   1H2     G  27          1H2         G  27  -9.370  32.129 -10.939
  293   2H2     G  27          2H2         G  27  -8.951  33.155 -12.297
  294   1H5*    G  28          1H5*        G  28  -6.735  32.965 -22.266
  295   2H5*    G  28          2H5*        G  28  -5.690  31.541 -22.465
  296    H4*    G  28           H4*        G  28  -5.596  33.375 -24.262
  297    H3*    G  28           H3*        G  28  -3.103  32.372 -22.865
  298    H2*    G  28           H2*        G  28  -1.798  33.759 -24.319
  299   2HO*    G  28          2HO*        G  28  -2.811  34.899 -26.024
  300    H1*    G  28           H1*        G  28  -3.400  35.953 -23.994
  301    H8     G  28           H8         G  28  -3.063  33.684 -20.863
  302    H1     G  28           H1         G  28   1.338  38.303 -21.372
  303   1H2     G  28          1H2         G  28   1.135  39.324 -23.327
  304   2H2     G  28          2H2         G  28  -0.081  38.876 -24.500
  305   1H5*    U  29          1H5*        U  29  -2.053  32.192 -26.820
  306   2H5*    U  29          2H5*        U  29  -1.092  30.735 -27.186
  307    H4*    U  29           H4*        U  29   0.079  32.887 -27.704
  308    H3*    U  29           H3*        U  29   1.305  31.184 -25.519
  309    H2*    U  29           H2*        U  29   3.156  32.692 -25.532
  310   2HO*    U  29          2HO*        U  29   3.307  34.306 -27.177
  311    H1*    U  29           H1*        U  29   1.530  34.958 -25.841
  312    H3     U  29           H3         U  29   3.218  35.572 -21.695
  313    H5     U  29           H5         U  29   0.626  32.285 -21.229
  314    H6     U  29           H6         U  29   0.286  32.295 -23.627
  315   1H5*    C  30          1H5*        C  30   4.335  31.940 -28.402
  316   2H5*    C  30          2H5*        C  30   5.344  30.487 -28.634
  317    H4*    C  30           H4*        C  30   6.663  32.521 -28.080
  318    H3*    C  30           H3*        C  30   6.683  30.338 -25.981
  319    H2*    C  30           H2*        C  30   8.365  31.603 -24.835
  320   2HO*    C  30          2HO*        C  30   8.385  33.260 -27.173
  321    H1*    C  30           H1*        C  30   7.073  34.034 -25.272
  322   1H4     C  30          1H4         C  30   5.200  32.281 -19.446
  323   2H4     C  30          2H4         C  30   4.056  31.138 -20.117
  324    H5     C  30           H5         C  30   3.895  30.673 -22.531
  325    H6     C  30           H6         C  30   4.787  31.241 -24.703
  326   1H5*    C  31          1H5*        C  31  10.685  31.137 -26.940
  327   2H5*    C  31          2H5*        C  31  11.645  29.636 -27.038
  328    H4*    C  31           H4*        C  31  12.658  31.282 -25.506
  329    H3*    C  31           H3*        C  31  11.504  28.846 -24.124
  330    H2*    C  31           H2*        C  31  12.531  29.651 -22.116
  331   2HO*    C  31          2HO*        C  31  13.934  31.479 -22.209
  332    H1*    C  31           H1*        C  31  11.814  32.294 -22.610
  333   1H4     C  31          1H4         C  31   7.380  29.947 -18.646
  334   2H4     C  31          2H4         C  31   6.474  29.335 -20.010
  335    H5     C  31           H5         C  31   7.309  29.426 -22.320
  336    H6     C  31           H6         C  31   9.150  30.129 -23.716
  337   1H5*    U  32          1H5*        U  32  15.580  29.217 -23.005
  338   2H5*    U  32          2H5*        U  32  16.317  27.629 -22.665
  339    H4*    U  32           H4*        U  32  16.345  29.352 -20.771
  340    H3*    U  32           H3*        U  32  15.037  26.661 -20.303
  341    H2*    U  32           H2*        U  32  14.830  27.285 -18.005
  342   2HO*    U  32          2HO*        U  32  15.877  29.186 -17.236
  343    H1*    U  32           H1*        U  32  14.173  29.947 -18.614
  344    H3     U  32           H3         U  32  10.642  27.837 -16.520
  345    H5     U  32           H5         U  32  10.188  27.057 -20.632
  346    H6     U  32           H6         U  32  12.404  27.977 -20.986
  347   1H5*    C  33          1H5*        C  33  17.584  27.207 -17.086
  348   2H5*    C  33          2H5*        C  33  18.679  25.804 -16.989
  349    H4*    C  33           H4*        C  33  17.720  26.294 -14.799
  350    H3*    C  33           H3*        C  33  16.592  23.791 -16.077
  351    H2*    C  33           H2*        C  33  15.429  23.370 -14.027
  352   2HO*    C  33          2HO*        C  33  15.912  24.573 -12.158
  353    H1*    C  33           H1*        C  33  14.750  26.041 -13.631
  354   1H4     C  33          1H4         C  33   9.603  23.282 -16.141
  355   2H4     C  33          2H4         C  33  10.229  23.530 -17.759
  356    H5     C  33           H5         C  33  12.489  24.431 -18.190
  357    H6     C  33           H6         C  33  14.514  25.236 -17.143
  358   1H5*    C  34          1H5*        C  34  18.244  22.725 -12.291
  359   2H5*    C  34          2H5*        C  34  18.943  21.083 -12.303
  360    H4*    C  34           H4*        C  34  17.190  21.429 -10.548
  361    H3*    C  34           H3*        C  34  16.497  19.458 -12.742
  362    H2*    C  34           H2*        C  34  14.544  18.915 -11.499
  363   2HO*    C  34          2HO*        C  34  15.790  18.822  -9.439
  364    H1*    C  34           H1*        C  34  14.257  21.581 -10.504
  365   1H4     C  34          1H4         C  34   9.572  21.202 -14.770
  366   2H4     C  34          2H4         C  34  10.676  20.719 -16.036
  367    H5     C  34           H5         C  34  13.061  20.392 -15.672
  368    H6     C  34           H6         C  34  14.837  20.471 -14.019
  Start of MODEL   15
    1   1H5*    G   1          1H5*        G   1   9.699  13.024 -14.315
    2   2H5*    G   1          2H5*        G   1   9.367  13.595 -15.948
    3    H4*    G   1           H4*        G   1  11.680  14.516 -14.225
    4    H3*    G   1           H3*        G   1   9.061  15.868 -14.900
    5    H2*    G   1           H2*        G   1  10.139  17.909 -14.896
    6   2HO*    G   1          2HO*        G   1  12.103  18.243 -13.780
    7    H1*    G   1           H1*        G   1  12.724  16.715 -15.586
    8    H8     G   1           H8         G   1   9.435  16.903 -17.696
    9    H1     G   1           H1         G   1  14.243  20.721 -19.503
   10   1H2     G   1          1H2         G   1  15.942  20.503 -18.105
   11   2H2     G   1          2H2         G   1  15.882  19.428 -16.730
   12   1H5*    G   2          1H5*        G   2  10.414  17.187 -10.157
   13   2H5*    G   2          2H5*        G   2   9.293  18.548  -9.894
   14    H4*    G   2           H4*        G   2  11.896  18.891  -9.658
   15    H3*    G   2           H3*        G   2  10.204  20.828 -11.264
   16    H2*    G   2           H2*        G   2  12.185  22.163 -11.423
   17   2HO*    G   2          2HO*        G   2  13.993  21.718 -10.091
   18    H1*    G   2           H1*        G   2  13.866  19.860 -11.556
   19    H8     G   2           H8         G   2  11.002  19.664 -14.033
   20    H1     G   2           H1         G   2  15.742  23.382 -16.161
   21   1H2     G   2          1H2         G   2  17.207  23.778 -14.564
   22   2H2     G   2          2H2         G   2  17.029  23.129 -12.947
   23   1H5*    A   3          1H5*        A   3  12.505  22.842  -8.219
   24   2H5*    A   3          2H5*        A   3  11.810  24.433  -7.813
   25    H4*    A   3           H4*        A   3  14.234  24.223  -8.878
   26    H3*    A   3           H3*        A   3  12.178  26.239  -9.806
   27    H2*    A   3           H2*        A   3  13.872  27.172 -11.186
   28   2HO*    A   3          2HO*        A   3  15.711  25.476  -9.780
   29    H1*    A   3           H1*        A   3  14.944  24.609 -11.844
   30    H8     A   3           H8         A   3  11.376  24.072 -12.406
   31   1H6     A   3          1H6         A   3  11.785  27.391 -17.623
   32   2H6     A   3          2H6         A   3  10.795  26.287 -16.691
   33    H2     A   3           H2         A   3  15.511  28.094 -15.232
   34   1H5*    G   4          1H5*        G   4  15.383  28.778  -8.945
   35   2H5*    G   4          2H5*        G   4  14.759  30.077  -7.896
   36    H4*    G   4           H4*        G   4  15.926  31.069  -9.764
   37    H3*    G   4           H3*        G   4  12.928  31.266 -10.163
   38    H2*    G   4           H2*        G   4  13.418  32.695 -12.021
   39   2HO*    G   4          2HO*        G   4  15.557  33.432 -12.370
   40    H1*    G   4           H1*        G   4  15.591  31.114 -12.843
   41    H8     G   4           H8         G   4  12.684  28.862 -11.951
   42    H1     G   4           H1         G   4  12.109  31.648 -17.688
   43   1H2     G   4          1H2         G   4  13.642  33.229 -17.912
   44   2H2     G   4          2H2         G   4  14.797  33.591 -16.654
   45   1H5*    G   5          1H5*        G   5  14.626  35.308 -10.332
   46   2H5*    G   5          2H5*        G   5  13.437  36.413  -9.593
   47    H4*    G   5           H4*        G   5  14.223  37.082 -11.892
   48    H3*    G   5           H3*        G   5  11.274  36.436 -11.624
   49    H2*    G   5           H2*        G   5  11.035  37.316 -13.837
   50   2HO*    G   5          2HO*        G   5  13.737  38.216 -13.534
   51    H1*    G   5           H1*        G   5  13.453  36.165 -14.709
   52    H8     G   5           H8         G   5  11.571  33.530 -12.794
   53    H1     G   5           H1         G   5   9.153  34.525 -18.638
   54   1H2     G   5          1H2         G   5  10.020  36.358 -19.522
   55   2H2     G   5          2H2         G   5  11.198  37.334 -18.674
   56   1H5*    A   6          1H5*        A   6  11.728  40.545 -13.179
   57   2H5*    A   6          2H5*        A   6  10.442  41.522 -12.421
   58    H4*    A   6           H4*        A   6  10.531  41.754 -14.900
   59    H3*    A   6           H3*        A   6   8.040  40.411 -13.813
   60    H2*    A   6           H2*        A   6   7.145  40.572 -16.036
   61   2HO*    A   6          2HO*        A   6   8.256  41.745 -17.639
   62    H1*    A   6           H1*        A   6   9.522  39.759 -17.215
   63    H8     A   6           H8         A   6   9.161  37.612 -14.160
   64   1H6     A   6          1H6         A   6   5.078  34.196 -17.329
   65   2H6     A   6          2H6         A   6   6.059  34.291 -15.881
   66    H2     A   6           H2         A   6   5.890  37.941 -19.654
   67   1H5*    C   7          1H5*        C   7   6.792  44.026 -16.101
   68   2H5*    C   7          2H5*        C   7   5.292  44.628 -15.348
   69    H4*    C   7           H4*        C   7   5.285  44.072 -17.880
   70    H3*    C   7           H3*        C   7   3.172  42.973 -16.003
   71    H2*    C   7           H2*        C   7   2.069  42.052 -17.908
   72   2HO*    C   7          2HO*        C   7   2.767  42.589 -20.018
   73    H1*    C   7           H1*        C   7   4.419  41.176 -19.101
   74   1H4     C   7          1H4         C   7   1.940  36.293 -15.752
   75   2H4     C   7          2H4         C   7   3.141  36.598 -14.516
   76    H5     C   7           H5         C   7   4.622  38.548 -14.553
   77    H6     C   7           H6         C   7   5.232  40.531 -15.791
   78   1H5*    A   8          1H5*        A   8  -1.431  44.935 -16.673
   79   2H5*    A   8          2H5*        A   8  -0.748  43.449 -15.956
   80    H4*    A   8           H4*        A   8  -1.837  43.842 -18.750
   81    H3*    A   8           H3*        A   8  -2.658  42.132 -16.401
   82    H2*    A   8           H2*        A   8  -3.354  40.378 -17.883
   83   2HO*    A   8          2HO*        A   8  -3.219  40.714 -20.153
   84    H1*    A   8           H1*        A   8  -1.103  40.387 -19.313
   85    H8     A   8           H8         A   8   0.563  41.480 -16.357
   86   1H6     A   8          1H6         A   8  -0.377  35.914 -13.795
   87   2H6     A   8          2H6         A   8   0.526  37.407 -13.674
   88    H2     A   8           H2         A   8  -3.056  36.336 -17.364
   89   1H5*    U   9          1H5*        U   9  -7.099  42.523 -17.005
   90   2H5*    U   9          2H5*        U   9  -7.522  43.088 -15.369
   91    H4*    U   9           H4*        U   9  -8.082  41.022 -14.715
   92    H3*    U   9           H3*        U   9  -5.726  40.371 -14.421
   93    H2*    U   9           H2*        U   9  -5.249  40.646 -16.814
   94   2HO*    U   9          2HO*        U   9  -4.445  38.640 -17.451
   95    H1*    U   9           H1*        U   9  -7.314  38.516 -17.404
   96    H3     U   9           H3         U   9  -7.768  39.422 -21.850
   97    H5     U   9           H5         U   9  -5.130  42.367 -20.408
   98    H6     U   9           H6         U   9  -5.557  41.546 -18.191
   99   1H5*    C  10          1H5*        C  10  -4.379  38.267 -12.005
  100   2H5*    C  10          2H5*        C  10  -4.895  38.278 -13.708
  101    H4*    C  10           H4*        C  10  -6.073  36.277 -11.824
  102    H3*    C  10           H3*        C  10  -3.324  36.272 -11.989
  103    H2*    C  10           H2*        C  10  -3.313  36.159 -14.379
  104   2HO*    C  10          2HO*        C  10  -2.940  33.886 -14.911
  105    H1*    C  10           H1*        C  10  -5.502  34.087 -14.159
  106   1H4     C  10          1H4         C  10  -4.844  34.653 -20.547
  107   2H4     C  10          2H4         C  10  -5.868  36.068 -20.472
  108    H5     C  10           H5         C  10  -6.592  37.066 -18.369
  109    H6     C  10           H6         C  10  -6.494  36.895 -15.954
  110   1H5*    C  11          1H5*        C  11  -5.208  35.058  -7.653
  111   2H5*    C  11          2H5*        C  11  -6.867  35.026  -8.302
  112    H4*    C  11           H4*        C  11  -6.759  36.951  -6.929
  113    H3*    C  11           H3*        C  11  -7.269  37.419  -9.665
  114    H2*    C  11           H2*        C  11  -4.967  38.087 -10.050
  115   2HO*    C  11          2HO*        C  11  -6.501  39.890 -10.533
  116    H1*    C  11           H1*        C  11  -5.246  39.554  -7.411
  117   1H4     C  11          1H4         C  11   1.086  40.448  -7.456
  118   2H4     C  11          2H4         C  11   1.131  40.095  -9.167
  119    H5     C  11           H5         C  11  -0.829  39.329 -10.416
  120    H6     C  11           H6         C  11  -3.162  38.766 -10.270
  121   1H5*    C  12          1H5*        C  12 -10.630  40.919 -10.132
  122   2H5*    C  12          2H5*        C  12 -11.765  40.769  -8.759
  123    H4*    C  12           H4*        C  12 -12.335  39.474 -10.863
  124    H3*    C  12           H3*        C  12 -12.475  38.452  -8.108
  125    H2*    C  12           H2*        C  12 -11.359  36.471  -8.634
  126   2HO*    C  12          2HO*        C  12 -12.607  34.926  -9.759
  127    H1*    C  12           H1*        C  12 -11.953  36.934 -11.563
  128   1H4     C  12          1H4         C  12  -6.497  33.143 -10.804
  129   2H4     C  12          2H4         C  12  -7.066  32.835 -12.429
  130    H5     C  12           H5         C  12  -9.021  33.959 -13.386
  131    H6     C  12           H6         C  12 -10.770  35.559 -12.954
  132   1H5*    U  13          1H5*        U  13 -16.212  41.279 -11.216
  133   2H5*    U  13          2H5*        U  13 -15.484  39.732 -11.731
  134    H4*    U  13           H4*        U  13 -14.250  42.481 -12.030
  135    H3*    U  13           H3*        U  13 -15.813  40.788 -13.913
  136    H2*    U  13           H2*        U  13 -14.086  40.448 -15.368
  137   2HO*    U  13          2HO*        U  13 -14.294  42.622 -16.097
  138    H1*    U  13           H1*        U  13 -11.937  41.731 -13.834
  139    H3     U  13           H3         U  13  -9.632  38.469 -15.997
  140    H5     U  13           H5         U  13 -12.479  36.392 -13.686
  141    H6     U  13           H6         U  13 -13.422  38.524 -13.061
  142   1H5*    C  14          1H5*        C  14 -17.263  41.870 -17.946
  143   2H5*    C  14          2H5*        C  14 -16.697  40.739 -16.690
  144    H4*    C  14           H4*        C  14 -14.945  41.955 -18.856
  145    H3*    C  14           H3*        C  14 -16.132  39.170 -18.642
  146    H2*    C  14           H2*        C  14 -14.203  38.396 -19.877
  147   2HO*    C  14          2HO*        C  14 -13.371  41.136 -19.869
  148    H1*    C  14           H1*        C  14 -12.509  39.583 -18.140
  149   1H4     C  14          1H4         C  14 -14.191  34.064 -15.352
  150   2H4     C  14          2H4         C  14 -15.594  34.831 -14.634
  151    H5     C  14           H5         C  14 -16.223  37.163 -15.126
  152    H6     C  14           H6         C  14 -15.659  39.125 -16.392
  153   1H5*    A  15          1H5*        A  15 -15.202  39.037 -23.013
  154   2H5*    A  15          2H5*        A  15 -16.534  38.021 -23.629
  155    H4*    A  15           H4*        A  15 -14.096  37.164 -23.883
  156    H3*    A  15           H3*        A  15 -16.246  35.435 -22.633
  157    H2*    A  15           H2*        A  15 -14.644  33.635 -22.602
  158   2HO*    A  15          2HO*        A  15 -12.588  33.940 -23.597
  159    H1*    A  15           H1*        A  15 -12.609  35.263 -21.658
  160    H8     A  15           H8         A  15 -15.501  36.604 -19.865
  161   1H6     A  15          1H6         A  15 -15.442  31.618 -16.192
  162   2H6     A  15          2H6         A  15 -16.107  33.219 -16.418
  163    H2     A  15           H2         A  15 -12.711  30.858 -19.666
  164   1H5*    C  16          1H5*        C  16 -14.884  32.848 -25.714
  165   2H5*    C  16          2H5*        C  16 -16.323  32.178 -26.531
  166    H4*    C  16           H4*        C  16 -14.745  30.442 -25.656
  167    H3*    C  16           H3*        C  16 -17.502  30.520 -24.403
  168    H2*    C  16           H2*        C  16 -16.927  28.487 -23.271
  169   2HO*    C  16          2HO*        C  16 -14.930  27.442 -23.765
  170    H1*    C  16           H1*        C  16 -14.388  29.385 -22.607
  171   1H4     C  16          1H4         C  16 -17.886  30.880 -17.510
  172   2H4     C  16          2H4         C  16 -18.749  32.116 -18.399
  173    H5     C  16           H5         C  16 -18.391  32.528 -20.787
  174    H6     C  16           H6         C  16 -17.134  31.839 -22.739
  175   1H5*    G  17          1H5*        G  17 -17.156  26.409 -26.039
  176   2H5*    G  17          2H5*        G  17 -18.822  25.850 -26.344
  177    H4*    G  17           H4*        G  17 -17.396  24.525 -24.656
  178    H3*    G  17           H3*        G  17 -20.103  25.613 -23.839
  179    H2*    G  17           H2*        G  17 -19.851  24.369 -21.801
  180   2HO*    G  17          2HO*        G  17 -18.104  22.928 -21.544
  181    H1*    G  17           H1*        G  17 -17.224  25.139 -21.463
  182    H8     G  17           H8         G  17 -19.053  28.151 -22.821
  183    H1     G  17           H1         G  17 -20.247  27.103 -16.634
  184   1H2     G  17          1H2         G  17 -19.510  25.105 -16.030
  185   2H2     G  17          2H2         G  17 -18.708  24.034 -17.156
  186   1H5*    G  18          1H5*        G  18 -20.189  21.273 -23.187
  187   2H5*    G  18          2H5*        G  18 -21.872  20.701 -23.351
  188    H4*    G  18           H4*        G  18 -20.706  20.245 -21.120
  189    H3*    G  18           H3*        G  18 -23.303  21.805 -21.147
  190    H2*    G  18           H2*        G  18 -23.281  21.649 -18.753
  191   2HO*    G  18          2HO*        G  18 -21.644  20.415 -17.711
  192    H1*    G  18           H1*        G  18 -20.633  22.341 -18.567
  193    H8     G  18           H8         G  18 -21.852  24.450 -21.389
  194    H1     G  18           H1         G  18 -24.126  26.456 -15.768
  195   1H2     G  18          1H2         G  18 -23.785  24.932 -14.206
  196   2H2     G  18          2H2         G  18 -22.974  23.418 -14.548
  197   1H5*    G  19          1H5*        G  19 -24.013  19.632 -18.066
  198   2H5*    G  19          2H5*        G  19 -25.429  18.595 -18.371
  199    H4*    G  19           H4*        G  19 -25.607  19.827 -16.235
  200    H3*    G  19           H3*        G  19 -27.560  20.721 -18.376
  201    H2*    G  19           H2*        G  19 -28.611  22.075 -16.713
  202   2HO*    G  19          2HO*        G  19 -28.663  21.278 -14.739
  203    H1*    G  19           H1*        G  19 -26.166  22.820 -15.538
  204    H8     G  19           H8         G  19 -26.434  22.907 -19.412
  205    H1     G  19           H1         G  19 -27.984  28.387 -16.504
  206   1H2     G  19          1H2         G  19 -27.997  28.130 -14.317
  207   2H2     G  19          2H2         G  19 -27.631  26.600 -13.556
  208   1H5*    U  20          1H5*        U  20 -31.026  19.286 -19.870
  209   2H5*    U  20          2H5*        U  20 -30.432  20.968 -19.845
  210    H4*    U  20           H4*        U  20 -32.912  20.801 -19.815
  211    H3*    U  20           H3*        U  20 -31.589  21.961 -17.362
  212    H2*    U  20           H2*        U  20 -33.743  22.367 -16.426
  213   2HO*    U  20          2HO*        U  20 -35.606  22.355 -17.712
  214    H1*    U  20           H1*        U  20 -34.910  20.034 -17.556
  215    H3     U  20           H3         U  20 -34.819  20.418 -12.817
  216    H5     U  20           H5         U  20 -31.735  17.823 -14.042
  217    H6     U  20           H6         U  20 -32.127  18.541 -16.324
  218   1H5*    G  21          1H5*        G  21 -32.794  25.805 -17.900
  219   2H5*    G  21          2H5*        G  21 -31.334  26.828 -17.830
  220    H4*    G  21           H4*        G  21 -32.749  27.177 -15.860
  221    H3*    G  21           H3*        G  21 -30.225  25.640 -15.242
  222    H2*    G  21           H2*        G  21 -30.779  25.919 -12.906
  223   2HO*    G  21          2HO*        G  21 -31.743  27.954 -12.844
  224    H1*    G  21           H1*        G  21 -33.339  25.080 -13.315
  225    H8     G  21           H8         G  21 -31.037  23.273 -15.758
  226    H1     G  21           H1         G  21 -31.128  20.659  -9.926
  227   1H2     G  21          1H2         G  21 -32.211  21.971  -8.512
  228   2H2     G  21          2H2         G  21 -32.915  23.492  -9.005
  229   1H5*    A  22          1H5*        A  22 -32.339  30.245 -12.621
  230   2H5*    A  22          2H5*        A  22 -30.811  31.172 -12.563
  231    H4*    A  22           H4*        A  22 -31.815  30.450 -10.313
  232    H3*    A  22           H3*        A  22 -28.997  29.706 -11.100
  233    H2*    A  22           H2*        A  22 -28.688  28.650  -8.967
  234   2HO*    A  22          2HO*        A  22 -29.818  30.285  -7.730
  235    H1*    A  22           H1*        A  22 -31.185  27.459  -8.960
  236    H8     A  22           H8         A  22 -29.189  27.661 -12.281
  237   1H6     A  22          1H6         A  22 -27.350  21.909 -11.001
  238   2H6     A  22          2H6         A  22 -27.316  23.198 -12.183
  239    H2     A  22           H2         A  22 -29.720  23.432  -7.531
  240   1H5*    C  23          1H5*        C  23 -25.403  30.879  -7.878
  241   2H5*    C  23          2H5*        C  23 -25.425  30.976  -9.659
  242    H4*    C  23           H4*        C  23 -26.019  28.545  -7.953
  243    H3*    C  23           H3*        C  23 -23.747  29.237  -9.823
  244    H2*    C  23           H2*        C  23 -23.567  26.924 -10.411
  245   2HO*    C  23          2HO*        C  23 -24.777  25.352  -9.311
  246    H1*    C  23           H1*        C  23 -26.230  26.569 -10.764
  247   1H4     C  23          1H4         C  23 -23.993  28.554 -16.407
  248   2H4     C  23          2H4         C  23 -24.382  30.200 -15.974
  249    H5     C  23           H5         C  23 -25.180  30.836 -13.761
  250    H6     C  23           H6         C  23 -25.746  30.016 -11.556
  251   1H5*    C  24          1H5*        C  24 -22.466  25.800  -7.960
  252   2H5*    C  24          2H5*        C  24 -20.743  25.900  -7.513
  253    H4*    C  24           H4*        C  24 -21.293  23.967  -9.003
  254    H3*    C  24           H3*        C  24 -19.437  26.075 -10.132
  255    H2*    C  24           H2*        C  24 -19.103  24.637 -12.024
  256   2HO*    C  24          2HO*        C  24 -20.599  22.724 -10.505
  257    H1*    C  24           H1*        C  24 -21.785  24.045 -12.278
  258   1H4     C  24          1H4         C  24 -20.621  29.100 -16.038
  259   2H4     C  24          2H4         C  24 -21.181  30.149 -14.759
  260    H5     C  24           H5         C  24 -21.739  29.335 -12.506
  261    H6     C  24           H6         C  24 -21.855  27.380 -11.106
  262   1H5*    G  25          1H5*        G  25 -17.159  22.524 -10.637
  263   2H5*    G  25          2H5*        G  25 -15.494  22.846 -10.083
  264    H4*    G  25           H4*        G  25 -15.598  21.950 -12.402
  265    H3*    G  25           H3*        G  25 -14.598  24.796 -12.124
  266    H2*    G  25           H2*        G  25 -14.068  24.739 -14.460
  267   2HO*    G  25          2HO*        G  25 -14.250  22.783 -15.630
  268    H1*    G  25           H1*        G  25 -16.440  23.503 -15.151
  269    H8     G  25           H8         G  25 -17.045  26.047 -12.378
  270    H1     G  25           H1         G  25 -16.777  28.632 -18.222
  271   1H2     G  25          1H2         G  25 -16.048  27.147 -19.686
  272   2H2     G  25          2H2         G  25 -15.644  25.507 -19.229
  273   1H5*    U  26          1H5*        U  26 -11.811  22.800 -14.610
  274   2H5*    U  26          2H5*        U  26 -10.194  23.071 -13.910
  275    H4*    U  26           H4*        U  26 -10.101  23.559 -16.272
  276    H3*    U  26           H3*        U  26 -10.195  26.114 -14.650
  277    H2*    U  26           H2*        U  26  -9.745  27.279 -16.704
  278   2HO*    U  26          2HO*        U  26  -9.331  26.070 -18.618
  279    H1*    U  26           H1*        U  26 -11.595  25.794 -18.121
  280    H3     U  26           H3         U  26 -13.743  29.754 -17.710
  281    H5     U  26           H5         U  26 -13.750  28.210 -13.786
  282    H6     U  26           H6         U  26 -12.367  26.388 -14.569
  283   1H5*    G  27          1H5*        G  27  -6.973  26.268 -17.250
  284   2H5*    G  27          2H5*        G  27  -5.522  26.970 -16.488
  285    H4*    G  27           H4*        G  27  -6.325  27.972 -18.706
  286    H3*    G  27           H3*        G  27  -5.004  29.226 -16.587
  287    H2*    G  27           H2*        G  27  -6.864  30.368 -15.731
  288   2HO*    G  27          2HO*        G  27  -5.429  31.988 -16.691
  289    H1*    G  27           H1*        G  27  -8.031  30.749 -18.494
  290    H8     G  27           H8         G  27  -9.378  28.925 -15.353
  291    H1     G  27           H1         G  27 -12.492  34.294 -16.893
  292   1H2     G  27          1H2         G  27 -11.470  35.324 -18.565
  293   2H2     G  27          2H2         G  27 -10.025  34.678 -19.310
  294   1H5*    G  28          1H5*        G  28  -5.147  30.633 -21.037
  295   2H5*    G  28          2H5*        G  28  -4.024  29.725 -22.083
  296    H4*    G  28           H4*        G  28  -4.330  31.977 -22.945
  297    H3*    G  28           H3*        G  28  -1.621  31.500 -21.676
  298    H2*    G  28           H2*        G  28  -0.966  33.710 -22.346
  299   2HO*    G  28          2HO*        G  28  -2.465  34.990 -23.580
  300    H1*    G  28           H1*        G  28  -3.243  34.886 -21.438
  301    H8     G  28           H8         G  28  -2.800  32.129 -18.959
  302    H1     G  28           H1         G  28   1.452  36.831 -18.122
  303   1H2     G  28          1H2         G  28   1.433  38.206 -19.857
  304   2H2     G  28          2H2         G  28   0.377  37.955 -21.228
  305   1H5*    U  29          1H5*        U  29  -0.760  33.408 -25.222
  306   2H5*    U  29          2H5*        U  29   0.467  32.495 -26.140
  307    H4*    U  29           H4*        U  29   1.070  34.877 -25.898
  308    H3*    U  29           H3*        U  29   2.825  32.961 -24.342
  309    H2*    U  29           H2*        U  29   4.240  34.827 -23.855
  310   2HO*    U  29          2HO*        U  29   3.818  36.866 -24.840
  311    H1*    U  29           H1*        U  29   2.122  36.523 -23.316
  312    H3     U  29           H3         U  29   4.555  35.362 -19.514
  313    H5     U  29           H5         U  29   1.363  32.623 -19.813
  314    H6     U  29           H6         U  29   0.920  33.486 -22.023
  315   1H5*    C  30          1H5*        C  30   5.277  35.460 -26.687
  316   2H5*    C  30          2H5*        C  30   6.618  34.541 -27.420
  317    H4*    C  30           H4*        C  30   7.341  36.581 -26.161
  318    H3*    C  30           H3*        C  30   8.276  33.914 -25.071
  319    H2*    C  30           H2*        C  30   9.682  35.157 -23.567
  320   2HO*    C  30          2HO*        C  30   9.795  37.448 -23.756
  321    H1*    C  30           H1*        C  30   7.670  36.935 -22.909
  322   1H4     C  30          1H4         C  30   7.501  32.217 -18.591
  323   2H4     C  30          2H4         C  30   6.202  31.470 -19.494
  324    H5     C  30           H5         C  30   5.460  32.292 -21.693
  325    H6     C  30           H6         C  30   5.846  33.960 -23.393
  326   1H5*    C  31          1H5*        C  31  11.763  36.066 -25.663
  327   2H5*    C  31          2H5*        C  31  13.064  35.049 -26.340
  328    H4*    C  31           H4*        C  31  13.693  36.199 -24.217
  329    H3*    C  31           H3*        C  31  13.525  33.179 -24.066
  330    H2*    C  31           H2*        C  31  14.521  33.369 -21.893
  331   2HO*    C  31          2HO*        C  31  15.313  35.386 -21.166
  332    H1*    C  31           H1*        C  31  12.941  35.561 -21.199
  333   1H4     C  31          1H4         C  31  10.225  30.318 -18.751
  334   2H4     C  31          2H4         C  31   9.139  30.266 -20.123
  335    H5     C  31           H5         C  31   9.371  31.759 -22.064
  336    H6     C  31           H6         C  31  10.692  33.554 -23.022
  337   1H5*    U  32          1H5*        U  32  17.341  34.098 -22.645
  338   2H5*    U  32          2H5*        U  32  18.531  33.052 -23.464
  339    H4*    U  32           H4*        U  32  18.840  32.988 -21.037
  340    H3*    U  32           H3*        U  32  17.635  30.429 -22.117
  341    H2*    U  32           H2*        U  32  17.982  29.508 -19.937
  342   2HO*    U  32          2HO*        U  32  19.184  30.700 -18.372
  343    H1*    U  32           H1*        U  32  17.204  31.879 -18.648
  344    H3     U  32           H3         U  32  14.142  28.639 -17.589
  345    H5     U  32           H5         U  32  13.018  30.001 -21.416
  346    H6     U  32           H6         U  32  15.067  31.284 -21.493
  347   1H5*    C  33          1H5*        C  33  21.283  29.539 -20.074
  348   2H5*    C  33          2H5*        C  33  22.088  28.105 -20.764
  349    H4*    C  33           H4*        C  33  21.509  28.088 -18.245
  350    H3*    C  33           H3*        C  33  20.514  25.842 -20.011
  351    H2*    C  33           H2*        C  33  19.855  24.751 -17.981
  352   2HO*    C  33          2HO*        C  33  20.583  25.582 -15.948
  353    H1*    C  33           H1*        C  33  19.116  27.250 -16.765
  354   1H4     C  33          1H4         C  33  13.821  23.979 -18.381
  355   2H4     C  33          2H4         C  33  13.591  25.151 -19.657
  356    H5     C  33           H5         C  33  15.265  26.830 -20.233
  357    H6     C  33           H6         C  33  17.468  27.688 -19.691
  358   1H5*    C  34          1H5*        C  34  22.658  22.721 -18.354
  359   2H5*    C  34          2H5*        C  34  23.595  22.160 -19.767
  360    H4*    C  34           H4*        C  34  22.129  20.379 -18.936
  361    H3*    C  34           H3*        C  34  21.016  21.552 -21.506
  362    H2*    C  34           H2*        C  34  19.538  19.661 -21.481
  363   2HO*    C  34          2HO*        C  34  19.916  17.946 -19.988
  364    H1*    C  34           H1*        C  34  19.299  19.781 -18.659
  365   1H4     C  34          1H4         C  34  13.885  22.130 -21.068
  366   2H4     C  34          2H4         C  34  14.644  23.688 -21.335
  367    H5     C  34           H5         C  34  17.058  24.082 -20.951
  368    H6     C  34           H6         C  34  19.138  23.030 -20.232
  Start of MODEL   16
    1   1H5*    G   1          1H5*        G   1   3.883  17.782 -10.950
    2   2H5*    G   1          2H5*        G   1   4.650  17.603 -12.528
    3    H4*    G   1           H4*        G   1   5.762  16.552  -9.917
    4    H3*    G   1           H3*        G   1   6.485  19.004 -11.538
    5    H2*    G   1           H2*        G   1   8.771  18.711 -10.877
    6   2HO*    G   1          2HO*        G   1   9.331  17.168  -9.311
    7    H1*    G   1           H1*        G   1   8.781  16.011 -11.337
    8    H8     G   1           H8         G   1   6.747  16.759 -14.220
    9    H1     G   1           H1         G   1  12.469  19.538 -14.883
   10   1H2     G   1          1H2         G   1  13.541  19.571 -12.951
   11   2H2     G   1          2H2         G   1  12.846  18.914 -11.485
   12   1H5*    G   2          1H5*        G   2   8.311  19.660  -7.750
   13   2H5*    G   2          2H5*        G   2   8.083  21.350  -7.223
   14    H4*    G   2           H4*        G   2  10.476  20.578  -7.264
   15    H3*    G   2           H3*        G   2   9.682  22.873  -9.073
   16    H2*    G   2           H2*        G   2  11.989  23.119  -9.664
   17   2HO*    G   2          2HO*        G   2  13.578  21.842  -8.608
   18    H1*    G   2           H1*        G   2  12.383  20.451 -10.057
   19    H8     G   2           H8         G   2   8.878  20.892 -11.283
   20    H1     G   2           H1         G   2  13.141  23.488 -15.272
   21   1H2     G   2          1H2         G   2  15.126  23.639 -14.305
   22   2H2     G   2          2H2         G   2  15.407  23.079 -12.671
   23   1H5*    A   3          1H5*        A   3  12.956  24.366  -7.610
   24   2H5*    A   3          2H5*        A   3  12.802  26.072  -7.113
   25    H4*    A   3           H4*        A   3  14.500  25.514  -8.975
   26    H3*    A   3           H3*        A   3  12.331  27.565  -9.461
   27    H2*    A   3           H2*        A   3  13.290  28.006 -11.545
   28   2HO*    A   3          2HO*        A   3  15.461  27.425 -12.028
   29    H1*    A   3           H1*        A   3  14.252  25.298 -11.879
   30    H8     A   3           H8         A   3  10.608  25.056 -11.398
   31   1H6     A   3          1H6         A   3   9.920  26.922 -17.285
   32   2H6     A   3          2H6         A   3   9.112  26.214 -15.902
   33    H2     A   3           H2         A   3  14.163  27.672 -16.046
   34   1H5*    G   4          1H5*        G   4  15.977  29.658 -10.337
   35   2H5*    G   4          2H5*        G   4  15.858  31.228  -9.506
   36    H4*    G   4           H4*        G   4  16.488  31.641 -11.785
   37    H3*    G   4           H3*        G   4  13.520  32.173 -11.476
   38    H2*    G   4           H2*        G   4  13.644  33.132 -13.673
   39   2HO*    G   4          2HO*        G   4  15.671  33.469 -14.666
   40    H1*    G   4           H1*        G   4  15.361  31.100 -14.588
   41    H8     G   4           H8         G   4  12.529  29.625 -12.530
   42    H1     G   4           H1         G   4  10.885  31.106 -18.543
   43   1H2     G   4          1H2         G   4  12.495  32.296 -19.491
   44   2H2     G   4          2H2         G   4  13.963  32.713 -18.643
   45   1H5*    G   5          1H5*        G   5  15.605  35.962 -12.753
   46   2H5*    G   5          2H5*        G   5  14.520  37.314 -12.331
   47    H4*    G   5           H4*        G   5  15.258  36.962 -14.820
   48    H3*    G   5           H3*        G   5  12.339  37.335 -14.101
   49    H2*    G   5           H2*        G   5  11.953  37.507 -16.459
   50   2HO*    G   5          2HO*        G   5  13.699  37.748 -17.905
   51    H1*    G   5           H1*        G   5  13.891  35.522 -17.048
   52    H8     G   5           H8         G   5  11.772  33.972 -14.402
   53    H1     G   5           H1         G   5   8.619  34.425 -19.950
   54   1H2     G   5          1H2         G   5   9.680  35.768 -21.347
   55   2H2     G   5          2H2         G   5  11.185  36.553 -20.920
   56   1H5*    A   6          1H5*        A   6  13.224  40.305 -17.076
   57   2H5*    A   6          2H5*        A   6  12.639  41.851 -16.406
   58    H4*    A   6           H4*        A   6  11.846  41.645 -18.674
   59    H3*    A   6           H3*        A   6   9.626  41.049 -16.696
   60    H2*    A   6           H2*        A   6   8.128  41.015 -18.563
   61   2HO*    A   6          2HO*        A   6   8.885  41.617 -20.639
   62    H1*    A   6           H1*        A   6   9.851  39.560 -20.143
   63    H8     A   6           H8         A   6   9.948  38.288 -16.539
   64   1H6     A   6          1H6         A   6   4.967  34.909 -18.074
   65   2H6     A   6          2H6         A   6   6.179  35.201 -16.842
   66    H2     A   6           H2         A   6   5.887  37.737 -21.440
   67   1H5*    C   7          1H5*        C   7   8.230  43.914 -19.588
   68   2H5*    C   7          2H5*        C   7   7.138  45.056 -18.768
   69    H4*    C   7           H4*        C   7   6.235  43.790 -20.827
   70    H3*    C   7           H3*        C   7   4.743  43.732 -18.190
   71    H2*    C   7           H2*        C   7   2.994  42.564 -19.296
   72   2HO*    C   7          2HO*        C   7   2.999  42.383 -21.589
   73    H1*    C   7           H1*        C   7   4.710  41.036 -20.875
   74   1H4     C   7          1H4         C   7   2.615  37.384 -16.081
   75   2H4     C   7          2H4         C   7   3.986  37.870 -15.107
   76    H5     C   7           H5         C   7   5.567  39.584 -15.809
   77    H6     C   7           H6         C   7   6.155  41.136 -17.599
   78   1H5*    A   8          1H5*        A   8   1.685  44.540 -21.374
   79   2H5*    A   8          2H5*        A   8   0.653  45.769 -20.600
   80    H4*    A   8           H4*        A   8  -0.427  43.538 -21.416
   81    H3*    A   8           H3*        A   8  -0.877  44.675 -18.658
   82    H2*    A   8           H2*        A   8  -2.347  42.887 -18.175
   83   2HO*    A   8          2HO*        A   8  -3.021  41.458 -19.886
   84    H1*    A   8           H1*        A   8  -0.840  40.955 -19.498
   85    H8     A   8           H8         A   8   1.507  43.116 -17.564
   86   1H6     A   8          1H6         A   8   0.149  39.690 -12.591
   87   2H6     A   8          2H6         A   8   1.219  40.911 -13.242
   88    H2     A   8           H2         A   8  -2.755  38.673 -15.859
   89   1H5*    U   9          1H5*        U   9  -5.996  43.909 -18.766
   90   2H5*    U   9          2H5*        U   9  -5.897  45.646 -19.145
   91    H4*    U   9           H4*        U   9  -6.531  46.066 -17.071
   92    H3*    U   9           H3*        U   9  -4.125  46.348 -16.628
   93    H2*    U   9           H2*        U   9  -3.718  43.940 -16.946
   94   2HO*    U   9          2HO*        U   9  -2.476  44.892 -15.158
   95    H1*    U   9           H1*        U   9  -5.582  43.430 -14.621
   96    H3     U   9           H3         U   9  -5.965  38.949 -15.223
   97    H5     U   9           H5         U   9  -3.771  40.265 -18.576
   98    H6     U   9           H6         U   9  -4.127  42.509 -17.823
   99   1H5*    C  10          1H5*        C  10  -5.370  44.133 -12.804
  100   2H5*    C  10          2H5*        C  10  -5.240  45.288 -11.460
  101    H4*    C  10           H4*        C  10  -4.642  42.727 -11.138
  102    H3*    C  10           H3*        C  10  -4.158  44.793  -9.501
  103    H2*    C  10           H2*        C  10  -2.269  45.660 -10.666
  104   2HO*    C  10          2HO*        C  10  -0.442  45.173  -9.455
  105    H1*    C  10           H1*        C  10  -1.000  42.945 -10.992
  106   1H4     C  10          1H4         C  10   1.768  47.087 -15.193
  107   2H4     C  10          2H4         C  10   1.152  45.956 -16.375
  108    H5     C  10           H5         C  10  -0.380  44.123 -15.794
  109    H6     C  10           H6         C  10  -1.585  43.066 -13.986
  110   1H5*    C  11          1H5*        C  11  -7.280  42.590  -7.108
  111   2H5*    C  11          2H5*        C  11  -6.594  41.081  -7.770
  112    H4*    C  11           H4*        C  11  -8.536  43.000  -9.050
  113    H3*    C  11           H3*        C  11  -9.317  40.804  -7.825
  114    H2*    C  11           H2*        C  11  -7.555  39.436  -8.831
  115   2HO*    C  11          2HO*        C  11  -9.955  39.043 -10.302
  116    H1*    C  11           H1*        C  11  -8.516  40.458 -11.522
  117   1H4     C  11          1H4         C  11  -3.309  37.365 -13.528
  118   2H4     C  11          2H4         C  11  -2.348  38.019 -12.222
  119    H5     C  11           H5         C  11  -3.288  39.472 -10.474
  120    H6     C  11           H6         C  11  -5.311  40.539  -9.686
  121   1H5*    C  12          1H5*        C  12 -12.344  41.165 -10.999
  122   2H5*    C  12          2H5*        C  12 -13.902  42.032 -10.835
  123    H4*    C  12           H4*        C  12 -14.178  39.763 -10.074
  124    H3*    C  12           H3*        C  12 -14.564  41.955  -8.146
  125    H2*    C  12           H2*        C  12 -13.232  40.952  -6.517
  126   2HO*    C  12          2HO*        C  12 -15.315  40.324  -5.763
  127    H1*    C  12           H1*        C  12 -13.568  38.290  -7.902
  128   1H4     C  12          1H4         C  12  -7.888  38.419  -4.370
  129   2H4     C  12          2H4         C  12  -8.253  36.728  -4.623
  130    H5     C  12           H5         C  12 -10.201  35.965  -5.902
  131    H6     C  12           H6         C  12 -12.133  36.692  -7.165
  132   1H5*    U  13          1H5*        U  13 -18.560  38.404 -10.367
  133   2H5*    U  13          2H5*        U  13 -17.706  38.365  -8.801
  134    H4*    U  13           H4*        U  13 -16.019  39.759 -10.538
  135    H3*    U  13           H3*        U  13 -17.549  37.973 -12.207
  136    H2*    U  13           H2*        U  13 -16.286  36.082 -11.634
  137   2HO*    U  13          2HO*        U  13 -15.521  36.602 -13.753
  138    H1*    U  13           H1*        U  13 -13.945  37.896 -10.954
  139    H3     U  13           H3         U  13 -11.540  35.029  -8.414
  140    H5     U  13           H5         U  13 -15.083  32.908  -9.177
  141    H6     U  13           H6         U  13 -15.935  34.884 -10.299
  142   1H5*    C  14          1H5*        C  14 -13.852  39.210 -13.593
  143   2H5*    C  14          2H5*        C  14 -13.843  40.919 -14.104
  144    H4*    C  14           H4*        C  14 -12.356  40.542 -15.748
  145    H3*    C  14           H3*        C  14 -13.660  37.845 -16.211
  146    H2*    C  14           H2*        C  14 -11.721  37.284 -17.522
  147   2HO*    C  14          2HO*        C  14 -10.049  38.878 -17.744
  148    H1*    C  14           H1*        C  14 -10.017  38.116 -15.553
  149   1H4     C  14          1H4         C  14 -11.591  32.006 -14.318
  150   2H4     C  14          2H4         C  14 -12.722  32.573 -13.119
  151    H5     C  14           H5         C  14 -13.257  34.955 -12.798
  152    H6     C  14           H6         C  14 -12.772  37.198 -13.574
  153   1H5*    A  15          1H5*        A  15 -12.626  38.757 -20.243
  154   2H5*    A  15          2H5*        A  15 -14.081  38.430 -21.225
  155    H4*    A  15           H4*        A  15 -12.075  37.207 -22.024
  156    H3*    A  15           H3*        A  15 -14.259  35.456 -20.866
  157    H2*    A  15           H2*        A  15 -13.018  33.578 -21.732
  158   2HO*    A  15          2HO*        A  15 -11.378  35.607 -22.942
  159    H1*    A  15           H1*        A  15 -10.631  34.581 -20.745
  160    H8     A  15           H8         A  15 -13.032  35.569 -18.115
  161   1H6     A  15          1H6         A  15 -13.162  29.698 -16.171
  162   2H6     A  15          2H6         A  15 -13.613  31.347 -15.796
  163    H2     A  15           H2         A  15 -11.075  29.825 -20.139
  164   1H5*    C  16          1H5*        C  16 -13.878  33.836 -24.638
  165   2H5*    C  16          2H5*        C  16 -15.479  33.698 -25.417
  166    H4*    C  16           H4*        C  16 -14.222  31.559 -25.409
  167    H3*    C  16           H3*        C  16 -16.715  31.616 -23.690
  168    H2*    C  16           H2*        C  16 -16.419  29.262 -23.355
  169   2HO*    C  16          2HO*        C  16 -14.829  28.128 -24.543
  170    H1*    C  16           H1*        C  16 -13.670  29.499 -22.986
  171   1H4     C  16          1H4         C  16 -15.937  29.649 -17.050
  172   2H4     C  16          2H4         C  16 -16.760  31.167 -17.338
  173    H5     C  16           H5         C  16 -16.766  32.282 -19.519
  174    H6     C  16           H6         C  16 -15.976  32.143 -21.806
  175   1H5*    G  17          1H5*        G  17 -17.663  28.441 -26.770
  176   2H5*    G  17          2H5*        G  17 -19.444  28.385 -26.838
  177    H4*    G  17           H4*        G  17 -18.095  26.263 -26.114
  178    H3*    G  17           H3*        G  17 -20.458  27.295 -24.525
  179    H2*    G  17           H2*        G  17 -20.273  25.314 -23.187
  180   2HO*    G  17          2HO*        G  17 -18.770  23.667 -23.807
  181    H1*    G  17           H1*        G  17 -17.499  25.452 -23.073
  182    H8     G  17           H8         G  17 -18.953  28.950 -22.717
  183    H1     G  17           H1         G  17 -19.223  25.508 -17.343
  184   1H2     G  17          1H2         G  17 -18.730  23.389 -17.760
  185   2H2     G  17          2H2         G  17 -18.317  22.831 -19.363
  186   1H5*    G  18          1H5*        G  18 -21.395  23.150 -25.358
  187   2H5*    G  18          2H5*        G  18 -23.092  23.107 -25.904
  188    H4*    G  18           H4*        G  18 -22.711  21.485 -24.110
  189    H3*    G  18           H3*        G  18 -24.350  23.877 -23.236
  190    H2*    G  18           H2*        G  18 -24.719  22.740 -21.171
  191   2HO*    G  18          2HO*        G  18 -24.089  20.560 -20.919
  192    H1*    G  18           H1*        G  18 -22.094  21.838 -20.983
  193    H8     G  18           H8         G  18 -22.235  25.436 -22.250
  194    H1     G  18           H1         G  18 -22.785  24.934 -15.893
  195   1H2     G  18          1H2         G  18 -23.055  22.821 -15.307
  196   2H2     G  18          2H2         G  18 -23.087  21.525 -16.484
  197   1H5*    G  19          1H5*        G  19 -26.691  20.582 -22.118
  198   2H5*    G  19          2H5*        G  19 -28.422  20.967 -22.313
  199    H4*    G  19           H4*        G  19 -27.641  20.340 -19.958
  200    H3*    G  19           H3*        G  19 -28.964  23.037 -20.397
  201    H2*    G  19           H2*        G  19 -28.961  23.295 -18.017
  202   2HO*    G  19          2HO*        G  19 -28.833  21.583 -16.686
  203    H1*    G  19           H1*        G  19 -26.412  22.160 -17.730
  204    H8     G  19           H8         G  19 -26.247  24.564 -20.640
  205    H1     G  19           H1         G  19 -26.228  27.541 -14.982
  206   1H2     G  19          1H2         G  19 -26.747  26.131 -13.371
  207   2H2     G  19          2H2         G  19 -27.090  24.445 -13.680
  208   1H5*    U  20          1H5*        U  20 -32.551  23.600 -21.046
  209   2H5*    U  20          2H5*        U  20 -31.683  25.106 -20.640
  210    H4*    U  20           H4*        U  20 -34.047  25.281 -20.063
  211    H3*    U  20           H3*        U  20 -32.197  25.081 -17.674
  212    H2*    U  20           H2*        U  20 -34.100  25.280 -16.235
  213   2HO*    U  20          2HO*        U  20 -35.001  27.111 -17.372
  214    H1*    U  20           H1*        U  20 -35.879  23.993 -18.049
  215    H3     U  20           H3         U  20 -32.767  21.821 -14.337
  216    H5     U  20           H5         U  20 -36.302  20.048 -15.807
  217    H6     U  20           H6         U  20 -36.429  21.837 -17.442
  218   1H5*    G  21          1H5*        G  21 -31.438  28.615 -14.939
  219   2H5*    G  21          2H5*        G  21 -30.441  27.247 -15.508
  220    H4*    G  21           H4*        G  21 -32.322  27.390 -13.158
  221    H3*    G  21           H3*        G  21 -29.454  26.535 -13.557
  222    H2*    G  21           H2*        G  21 -29.646  24.994 -11.761
  223   2HO*    G  21          2HO*        G  21 -31.383  25.095 -10.305
  224    H1*    G  21           H1*        G  21 -32.251  24.217 -12.341
  225    H8     G  21           H8         G  21 -30.181  24.449 -15.518
  226    H1     G  21           H1         G  21 -29.470  18.933 -12.358
  227   1H2     G  21          1H2         G  21 -30.442  19.054 -10.374
  228   2H2     G  21          2H2         G  21 -31.260  20.496  -9.824
  229   1H5*    A  22          1H5*        A  22 -29.840  27.835  -9.371
  230   2H5*    A  22          2H5*        A  22 -28.332  28.618  -8.817
  231    H4*    A  22           H4*        A  22 -28.965  26.752  -7.341
  232    H3*    A  22           H3*        A  22 -26.517  26.268  -9.052
  233    H2*    A  22           H2*        A  22 -26.191  24.189  -7.870
  234   2HO*    A  22          2HO*        A  22 -27.481  23.690  -6.068
  235    H1*    A  22           H1*        A  22 -28.838  23.487  -8.023
  236    H8     A  22           H8         A  22 -27.377  25.331 -11.097
  237   1H6     A  22          1H6         A  22 -26.196  19.704 -13.348
  238   2H6     A  22          2H6         A  22 -26.169  21.420 -13.683
  239    H2     A  22           H2         A  22 -27.742  19.253  -9.173
  240   1H5*    C  23          1H5*        C  23 -22.267  25.182  -6.831
  241   2H5*    C  23          2H5*        C  23 -22.617  26.215  -8.243
  242    H4*    C  23           H4*        C  23 -23.436  23.321  -7.873
  243    H3*    C  23           H3*        C  23 -21.378  24.643  -9.644
  244    H2*    C  23           H2*        C  23 -21.804  22.996 -11.323
  245   2HO*    C  23          2HO*        C  23 -23.124  21.204 -10.883
  246    H1*    C  23           H1*        C  23 -24.519  23.125 -11.091
  247   1H4     C  23          1H4         C  23 -22.938  27.421 -15.548
  248   2H4     C  23          2H4         C  23 -22.881  28.664 -14.319
  249    H5     C  23           H5         C  23 -23.114  28.178 -11.926
  250    H6     C  23           H6         C  23 -23.444  26.429 -10.298
  251   1H5*    C  24          1H5*        C  24 -20.478  20.617  -9.938
  252   2H5*    C  24          2H5*        C  24 -18.726  20.324  -9.773
  253    H4*    C  24           H4*        C  24 -19.634  19.351 -11.851
  254    H3*    C  24           H3*        C  24 -17.784  21.717 -12.249
  255    H2*    C  24           H2*        C  24 -17.878  21.278 -14.603
  256   2HO*    C  24          2HO*        C  24 -19.038  19.410 -15.349
  257    H1*    C  24           H1*        C  24 -20.612  20.902 -14.601
  258   1H4     C  24          1H4         C  24 -19.569  27.071 -15.928
  259   2H4     C  24          2H4         C  24 -19.756  27.455 -14.233
  260    H5     C  24           H5         C  24 -20.003  25.734 -12.493
  261    H6     C  24           H6         C  24 -20.092  23.360 -12.088
  262   1H5*    G  25          1H5*        G  25 -16.107  18.910 -14.788
  263   2H5*    G  25          2H5*        G  25 -14.378  18.730 -14.384
  264    H4*    G  25           H4*        G  25 -14.721  19.120 -16.793
  265    H3*    G  25           H3*        G  25 -13.421  21.426 -15.321
  266    H2*    G  25           H2*        G  25 -13.077  22.469 -17.448
  267   2HO*    G  25          2HO*        G  25 -13.487  21.311 -19.375
  268    H1*    G  25           H1*        G  25 -15.594  21.761 -18.404
  269    H8     G  25           H8         G  25 -15.599  22.884 -14.737
  270    H1     G  25           H1         G  25 -16.008  27.675 -18.959
  271   1H2     G  25          1H2         G  25 -15.658  26.924 -21.005
  272   2H2     G  25          2H2         G  25 -15.338  25.236 -21.336
  273   1H5*    U  26          1H5*        U  26 -10.971  20.633 -18.686
  274   2H5*    U  26          2H5*        U  26  -9.285  20.508 -18.117
  275    H4*    U  26           H4*        U  26  -9.413  22.023 -20.018
  276    H3*    U  26           H3*        U  26  -9.007  23.496 -17.405
  277    H2*    U  26           H2*        U  26  -8.663  25.473 -18.711
  278   2HO*    U  26          2HO*        U  26  -8.611  25.291 -21.029
  279    H1*    U  26           H1*        U  26 -10.780  24.904 -20.422
  280    H3     U  26           H3         U  26 -12.587  28.334 -18.126
  281    H5     U  26           H5         U  26 -12.098  25.341 -15.182
  282    H6     U  26           H6         U  26 -11.010  23.978 -16.850
  283   1H5*    G  27          1H5*        G  27  -5.957  24.638 -19.969
  284   2H5*    G  27          2H5*        G  27  -4.410  24.939 -19.135
  285    H4*    G  27           H4*        G  27  -5.516  26.832 -20.541
  286    H3*    G  27           H3*        G  27  -3.777  26.979 -18.301
  287    H2*    G  27           H2*        G  27  -5.397  27.749 -16.801
  288   2HO*    G  27          2HO*        G  27  -4.011  29.568 -17.111
  289    H1*    G  27           H1*        G  27  -6.815  29.187 -19.062
  290    H8     G  27           H8         G  27  -8.090  26.491 -16.610
  291    H1     G  27           H1         G  27 -10.535  32.329 -15.698
  292   1H2     G  27          1H2         G  27  -9.526  33.795 -17.016
  293   2H2     G  27          2H2         G  27  -8.257  33.325 -18.123
  294   1H5*    G  28          1H5*        G  28  -4.054  31.660 -18.305
  295   2H5*    G  28          2H5*        G  28  -4.990  30.773 -19.534
  296    H4*    G  28           H4*        G  28  -5.270  32.625 -20.732
  297    H3*    G  28           H3*        G  28  -2.268  32.782 -20.647
  298    H2*    G  28           H2*        G  28  -2.244  35.100 -21.144
  299   2HO*    G  28          2HO*        G  28  -4.187  36.173 -21.764
  300    H1*    G  28           H1*        G  28  -4.262  35.827 -19.474
  301    H8     G  28           H8         G  28  -3.193  33.548 -17.021
  302    H1     G  28           H1         G  28   1.701  37.463 -18.322
  303   1H2     G  28          1H2         G  28   1.351  38.529 -20.230
  304   2H2     G  28          2H2         G  28  -0.087  38.266 -21.190
  305   1H5*    U  29          1H5*        U  29  -2.259  34.844 -24.123
  306   2H5*    U  29          2H5*        U  29  -1.786  33.668 -25.381
  307    H4*    U  29           H4*        U  29  -0.409  35.582 -25.698
  308    H3*    U  29           H3*        U  29   1.106  33.453 -24.169
  309    H2*    U  29           H2*        U  29   3.053  34.829 -24.329
  310   2HO*    U  29          2HO*        U  29   2.980  36.770 -25.549
  311    H1*    U  29           H1*        U  29   1.733  37.102 -23.586
  312    H3     U  29           H3         U  29   4.238  35.714 -20.032
  313    H5     U  29           H5         U  29   0.678  33.492 -19.771
  314    H6     U  29           H6         U  29   0.054  34.367 -21.941
  315   1H5*    C  30          1H5*        C  30   3.595  34.236 -27.736
  316   2H5*    C  30          2H5*        C  30   4.483  32.730 -28.101
  317    H4*    C  30           H4*        C  30   5.879  34.825 -27.631
  318    H3*    C  30           H3*        C  30   6.316  32.363 -25.920
  319    H2*    C  30           H2*        C  30   8.236  33.501 -25.027
  320   2HO*    C  30          2HO*        C  30   7.722  35.479 -27.036
  321    H1*    C  30           H1*        C  30   6.865  35.933 -24.824
  322   1H4     C  30          1H4         C  30   6.559  33.111 -19.082
  323   2H4     C  30          2H4         C  30   5.096  32.283 -19.568
  324    H5     C  30           H5         C  30   4.206  32.380 -21.852
  325    H6     C  30           H6         C  30   4.556  33.293 -24.060
  326   1H5*    C  31          1H5*        C  31  10.152  33.150 -27.694
  327   2H5*    C  31          2H5*        C  31  11.081  31.627 -27.762
  328    H4*    C  31           H4*        C  31  11.956  33.606 -26.301
  329    H3*    C  31           H3*        C  31  11.691  30.814 -25.160
  330    H2*    C  31           H2*        C  31  12.838  31.648 -23.230
  331   2HO*    C  31          2HO*        C  31  13.780  33.749 -23.279
  332    H1*    C  31           H1*        C  31  11.467  34.119 -23.319
  333   1H4     C  31          1H4         C  31   8.799  30.440 -18.783
  334   2H4     C  31          2H4         C  31   7.577  29.959 -19.940
  335    H5     C  31           H5         C  31   7.667  30.575 -22.317
  336    H6     C  31           H6         C  31   8.953  31.753 -23.999
  337   1H5*    U  32          1H5*        U  32  15.580  31.641 -24.212
  338   2H5*    U  32          2H5*        U  32  16.610  30.350 -24.885
  339    H4*    U  32           H4*        U  32  17.167  30.668 -22.553
  340    H3*    U  32           H3*        U  32  15.485  28.177 -22.932
  341    H2*    U  32           H2*        U  32  15.934  27.679 -20.637
  342   2HO*    U  32          2HO*        U  32  17.518  28.792 -19.488
  343    H1*    U  32           H1*        U  32  15.662  30.358 -19.842
  344    H3     U  32           H3         U  32  12.314  27.886 -17.915
  345    H5     U  32           H5         U  32  10.942  28.781 -21.793
  346    H6     U  32           H6         U  32  13.139  29.656 -22.298
  347   1H5*    C  33          1H5*        C  33  19.459  27.273 -21.180
  348   2H5*    C  33          2H5*        C  33  19.919  25.583 -21.527
  349    H4*    C  33           H4*        C  33  19.909  26.354 -19.065
  350    H3*    C  33           H3*        C  33  18.296  23.927 -19.886
  351    H2*    C  33           H2*        C  33  17.864  23.580 -17.571
  352   2HO*    C  33          2HO*        C  33  19.080  24.719 -15.983
  353    H1*    C  33           H1*        C  33  17.748  26.343 -16.995
  354   1H4     C  33          1H4         C  33  11.868  23.852 -16.740
  355   2H4     C  33          2H4         C  33  11.629  24.289 -18.413
  356    H5     C  33           H5         C  33  13.382  25.182 -19.808
  357    H6     C  33           H6         C  33  15.741  25.833 -19.888
  358   1H5*    C  34          1H5*        C  34  20.812  22.722 -16.630
  359   2H5*    C  34          2H5*        C  34  21.220  20.995 -16.814
  360    H4*    C  34           H4*        C  34  19.918  21.781 -14.691
  361    H3*    C  34           H3*        C  34  18.991  19.441 -16.373
  362    H2*    C  34           H2*        C  34  17.278  19.056 -14.773
  363   2HO*    C  34          2HO*        C  34  18.818  20.808 -13.111
  364    H1*    C  34           H1*        C  34  16.856  21.808 -14.264
  365   1H4     C  34          1H4         C  34  12.057  19.710 -17.948
  366   2H4     C  34          2H4         C  34  12.960  20.185 -19.370
  367    H5     C  34           H5         C  34  15.292  20.987 -19.265
  368    H6     C  34           H6         C  34  17.119  21.491 -17.785
  Start of MODEL   17
    1   1H5*    G   1          1H5*        G   1   3.325  18.784  -8.739
    2   2H5*    G   1          2H5*        G   1   3.832  18.365 -10.375
    3    H4*    G   1           H4*        G   1   5.242  17.510  -7.838
    4    H3*    G   1           H3*        G   1   5.893  19.694  -9.832
    5    H2*    G   1           H2*        G   1   8.224  19.274  -9.456
    6   2HO*    G   1          2HO*        G   1   8.920  17.995  -7.776
    7    H1*    G   1           H1*        G   1   7.969  16.555  -9.617
    8    H8     G   1           H8         G   1   5.553  17.220 -12.222
    9    H1     G   1           H1         G   1  11.301  19.363 -14.032
   10   1H2     G   1          1H2         G   1  12.669  19.463 -12.297
   11   2H2     G   1          2H2         G   1  12.165  19.003 -10.685
   12   1H5*    G   2          1H5*        G   2   8.415  20.608  -6.559
   13   2H5*    G   2          2H5*        G   2   8.340  22.358  -6.215
   14    H4*    G   2           H4*        G   2  10.659  21.457  -6.584
   15    H3*    G   2           H3*        G   2   9.636  23.558  -8.508
   16    H2*    G   2           H2*        G   2  11.822  23.610  -9.487
   17   2HO*    G   2          2HO*        G   2  13.523  22.391  -8.541
   18    H1*    G   2           H1*        G   2  12.062  20.885  -9.566
   19    H8     G   2           H8         G   2   8.448  21.348 -10.341
   20    H1     G   2           H1         G   2  12.183  23.216 -15.190
   21   1H2     G   2          1H2         G   2  14.294  23.378 -14.526
   22   2H2     G   2          2H2         G   2  14.780  23.012 -12.886
   23   1H5*    A   3          1H5*        A   3  13.227  24.938  -7.694
   24   2H5*    A   3          2H5*        A   3  13.262  26.697  -7.400
   25    H4*    A   3           H4*        A   3  14.666  25.768  -9.360
   26    H3*    A   3           H3*        A   3  12.640  27.963  -9.825
   27    H2*    A   3           H2*        A   3  13.347  28.076 -12.052
   28   2HO*    A   3          2HO*        A   3  15.384  27.048 -12.684
   29    H1*    A   3           H1*        A   3  14.038  25.271 -12.170
   30    H8     A   3           H8         A   3  10.494  25.307 -11.269
   31   1H6     A   3          1H6         A   3   9.144  26.838 -17.137
   32   2H6     A   3          2H6         A   3   8.489  26.263 -15.616
   33    H2     A   3           H2         A   3  13.539  27.421 -16.505
   34   1H5*    G   4          1H5*        G   4  16.310  29.468 -11.363
   35   2H5*    G   4          2H5*        G   4  16.538  31.099 -10.682
   36    H4*    G   4           H4*        G   4  16.921  31.249 -13.037
   37    H3*    G   4           H3*        G   4  14.102  32.199 -12.458
   38    H2*    G   4           H2*        G   4  14.077  32.958 -14.738
   39   2HO*    G   4          2HO*        G   4  16.038  32.748 -15.990
   40    H1*    G   4           H1*        G   4  15.310  30.626 -15.652
   41    H8     G   4           H8         G   4  12.686  29.799 -13.017
   42    H1     G   4           H1         G   4  10.306  30.869 -18.871
   43   1H2     G   4          1H2         G   4  11.887  31.698 -20.182
   44   2H2     G   4          2H2         G   4  13.514  31.975 -19.614
   45   1H5*    G   5          1H5*        G   5  16.437  35.375 -14.378
   46   2H5*    G   5          2H5*        G   5  15.701  36.960 -14.018
   47    H4*    G   5           H4*        G   5  15.966  36.219 -16.498
   48    H3*    G   5           H3*        G   5  13.273  37.148 -15.471
   49    H2*    G   5           H2*        G   5  12.585  37.135 -17.767
   50   2HO*    G   5          2HO*        G   5  14.167  36.832 -19.427
   51    H1*    G   5           H1*        G   5  14.088  34.797 -18.322
   52    H8     G   5           H8         G   5  12.168  33.896 -15.265
   53    H1     G   5           H1         G   5   8.332  34.332 -20.365
   54   1H2     G   5          1H2         G   5   9.363  35.342 -22.037
   55   2H2     G   5          2H2         G   5  11.016  35.904 -21.909
   56   1H5*    A   6          1H5*        A   6  13.887  39.387 -18.826
   57   2H5*    A   6          2H5*        A   6  13.765  41.110 -18.386
   58    H4*    A   6           H4*        A   6  12.426  40.791 -20.335
   59    H3*    A   6           H3*        A   6  10.623  40.783 -17.898
   60    H2*    A   6           H2*        A   6   8.783  40.825 -19.435
   61   2HO*    A   6          2HO*        A   6   9.197  41.062 -21.685
   62    H1*    A   6           H1*        A   6   9.940  38.955 -21.112
   63    H8     A   6           H8         A   6  10.470  38.024 -17.437
   64   1H6     A   6          1H6         A   6   4.833  35.411 -17.795
   65   2H6     A   6          2H6         A   6   6.262  35.605 -16.801
   66    H2     A   6           H2         A   6   5.617  37.728 -21.578
   67   1H5*    C   7          1H5*        C   7   9.115  43.458 -20.812
   68   2H5*    C   7          2H5*        C   7   8.452  44.899 -20.010
   69    H4*    C   7           H4*        C   7   6.902  43.674 -21.627
   70    H3*    C   7           H3*        C   7   6.038  44.043 -18.748
   71    H2*    C   7           H2*        C   7   3.901  43.194 -19.408
   72   2HO*    C   7          2HO*        C   7   3.795  44.414 -21.413
   73    H1*    C   7           H1*        C   7   5.003  41.304 -21.177
   74   1H4     C   7          1H4         C   7   3.166  38.154 -15.944
   75   2H4     C   7          2H4         C   7   4.704  38.501 -15.187
   76    H5     C   7           H5         C   7   6.386  39.961 -16.187
   77    H6     C   7           H6         C   7   6.921  41.337 -18.130
   78   1H5*    A   8          1H5*        A   8   2.814  45.901 -17.260
   79   2H5*    A   8          2H5*        A   8   3.560  44.348 -17.724
   80    H4*    A   8           H4*        A   8   1.077  44.896 -19.170
   81    H3*    A   8           H3*        A   8   1.015  44.798 -16.161
   82    H2*    A   8           H2*        A   8  -0.886  43.412 -16.225
   83   2HO*    A   8          2HO*        A   8  -1.888  42.931 -18.268
   84    H1*    A   8           H1*        A   8   0.046  41.753 -18.143
   85    H8     A   8           H8         A   8   3.015  42.847 -16.169
   86   1H6     A   8          1H6         A   8   1.476  38.503 -12.009
   87   2H6     A   8          2H6         A   8   2.717  39.630 -12.505
   88    H2     A   8           H2         A   8  -1.916  38.959 -14.926
   89   1H5*    U   9          1H5*        U   9  -3.077  44.559 -15.738
   90   2H5*    U   9          2H5*        U   9  -3.348  46.272 -15.380
   91    H4*    U   9           H4*        U   9  -3.650  45.929 -13.214
   92    H3*    U   9           H3*        U   9  -1.378  45.222 -12.717
   93    H2*    U   9           H2*        U   9  -1.596  43.471 -14.471
   94   2HO*    U   9          2HO*        U   9  -0.166  42.825 -12.680
   95    H1*    U   9           H1*        U   9  -3.664  42.221 -12.608
   96    H3     U   9           H3         U   9  -5.073  38.931 -15.377
   97    H5     U   9           H5         U   9  -2.677  41.366 -17.842
   98    H6     U   9           H6         U   9  -2.474  42.875 -15.985
   99   1H5*    C  10          1H5*        C  10  -5.953  44.999  -9.738
  100   2H5*    C  10          2H5*        C  10  -5.181  44.030 -11.016
  101    H4*    C  10           H4*        C  10  -6.926  46.463 -11.446
  102    H3*    C  10           H3*        C  10  -7.673  43.642 -11.178
  103    H2*    C  10           H2*        C  10  -7.539  43.174 -13.430
  104   2HO*    C  10          2HO*        C  10  -9.676  45.020 -13.451
  105    H1*    C  10           H1*        C  10  -7.573  46.100 -14.168
  106   1H4     C  10          1H4         C  10  -4.049  44.281 -19.200
  107   2H4     C  10          2H4         C  10  -4.483  42.615 -18.890
  108    H5     C  10           H5         C  10  -5.755  41.922 -16.906
  109    H6     C  10           H6         C  10  -6.841  42.707 -14.907
  110   1H5*    C  11          1H5*        C  11 -10.377  43.278  -7.955
  111   2H5*    C  11          2H5*        C  11  -9.270  41.955  -8.408
  112    H4*    C  11           H4*        C  11 -11.441  43.207 -10.106
  113    H3*    C  11           H3*        C  11 -11.779  41.064  -8.391
  114    H2*    C  11           H2*        C  11 -10.148  39.703  -9.562
  115   2HO*    C  11          2HO*        C  11 -12.544  39.177 -10.987
  116    H1*    C  11           H1*        C  11 -11.410  40.807 -12.088
  117   1H4     C  11          1H4         C  11  -6.768  37.790 -15.238
  118   2H4     C  11          2H4         C  11  -5.819  37.595 -13.783
  119    H5     C  11           H5         C  11  -6.530  38.467 -11.603
  120    H6     C  11           H6         C  11  -8.267  39.672 -10.443
  121   1H5*    C  12          1H5*        C  12 -14.532  40.775 -11.419
  122   2H5*    C  12          2H5*        C  12 -15.725  41.826 -12.221
  123    H4*    C  12           H4*        C  12 -17.054  40.023 -11.915
  124    H3*    C  12           H3*        C  12 -17.646  41.865  -9.909
  125    H2*    C  12           H2*        C  12 -16.423  40.682  -8.231
  126   2HO*    C  12          2HO*        C  12 -18.004  39.240  -7.144
  127    H1*    C  12           H1*        C  12 -17.462  38.105  -9.414
  128   1H4     C  12          1H4         C  12 -13.495  35.992  -4.808
  129   2H4     C  12          2H4         C  12 -12.158  36.286  -5.896
  130    H5     C  12           H5         C  12 -12.427  37.415  -8.056
  131    H6     C  12           H6         C  12 -14.015  38.453  -9.548
  132   1H5*    U  13          1H5*        U  13 -20.741  37.928 -12.794
  133   2H5*    U  13          2H5*        U  13 -20.069  38.357 -11.199
  134    H4*    U  13           H4*        U  13 -18.134  39.106 -13.116
  135    H3*    U  13           H3*        U  13 -19.551  36.861 -14.260
  136    H2*    U  13           H2*        U  13 -18.581  35.361 -12.687
  137   2HO*    U  13          2HO*        U  13 -17.649  34.920 -14.836
  138    H1*    U  13           H1*        U  13 -16.208  37.257 -12.770
  139    H3     U  13           H3         U  13 -13.551  35.509  -9.605
  140    H5     U  13           H5         U  13 -17.160  33.454  -9.010
  141    H6     U  13           H6         U  13 -18.151  34.822 -10.761
  142   1H5*    C  14          1H5*        C  14 -16.112  38.832 -13.878
  143   2H5*    C  14          2H5*        C  14 -15.663  40.549 -13.991
  144    H4*    C  14           H4*        C  14 -13.715  40.110 -15.141
  145    H3*    C  14           H3*        C  14 -14.932  37.505 -16.107
  146    H2*    C  14           H2*        C  14 -12.703  36.734 -16.501
  147   2HO*    C  14          2HO*        C  14 -11.725  39.320 -15.823
  148    H1*    C  14           H1*        C  14 -11.685  37.911 -14.167
  149   1H4     C  14          1H4         C  14 -12.549  31.878 -12.302
  150   2H4     C  14          2H4         C  14 -14.266  31.961 -12.616
  151    H5     C  14           H5         C  14 -15.362  33.957 -13.543
  152    H6     C  14           H6         C  14 -15.000  36.221 -14.356
  153   1H5*    A  15          1H5*        A  15 -11.918  38.087 -18.837
  154   2H5*    A  15          2H5*        A  15 -12.610  37.936 -20.475
  155    H4*    A  15           H4*        A  15 -10.639  36.457 -20.054
  156    H3*    A  15           H3*        A  15 -13.237  35.475 -21.053
  157    H2*    A  15           H2*        A  15 -13.227  33.477 -19.816
  158   2HO*    A  15          2HO*        A  15 -11.478  32.022 -20.347
  159    H1*    A  15           H1*        A  15 -10.341  33.893 -19.071
  160    H8     A  15           H8         A  15 -12.380  34.758 -16.249
  161   1H6     A  15          1H6         A  15 -12.858  28.783 -14.695
  162   2H6     A  15          2H6         A  15 -13.110  30.430 -14.150
  163    H2     A  15           H2         A  15 -11.256  29.064 -18.850
  164   1H5*    C  16          1H5*        C  16 -11.015  32.714 -23.928
  165   2H5*    C  16          2H5*        C  16 -12.012  33.045 -25.371
  166    H4*    C  16           H4*        C  16 -12.242  30.726 -24.945
  167    H3*    C  16           H3*        C  16 -14.616  32.083 -23.634
  168    H2*    C  16           H2*        C  16 -15.460  29.874 -23.269
  169   2HO*    C  16          2HO*        C  16 -14.627  28.108 -24.365
  170    H1*    C  16           H1*        C  16 -12.860  28.850 -22.755
  171   1H4     C  16          1H4         C  16 -15.139  29.300 -16.866
  172   2H4     C  16          2H4         C  16 -15.805  30.892 -17.161
  173    H5     C  16           H5         C  16 -15.586  32.048 -19.325
  174    H6     C  16           H6         C  16 -14.716  31.865 -21.569
  175   1H5*    G  17          1H5*        G  17 -16.340  29.335 -27.111
  176   2H5*    G  17          2H5*        G  17 -18.058  29.804 -27.133
  177    H4*    G  17           H4*        G  17 -17.345  27.327 -26.586
  178    H3*    G  17           H3*        G  17 -19.368  28.834 -24.910
  179    H2*    G  17           H2*        G  17 -19.736  26.771 -23.748
  180   2HO*    G  17          2HO*        G  17 -18.791  24.822 -24.568
  181    H1*    G  17           H1*        G  17 -17.014  26.071 -23.808
  182    H8     G  17           H8         G  17 -17.865  29.702 -22.791
  183    H1     G  17           H1         G  17 -17.839  25.496 -17.989
  184   1H2     G  17          1H2         G  17 -17.629  23.434 -18.772
  185   2H2     G  17          2H2         G  17 -17.481  23.103 -20.480
  186   1H5*    G  18          1H5*        G  18 -21.181  24.979 -26.325
  187   2H5*    G  18          2H5*        G  18 -22.905  25.344 -26.601
  188    H4*    G  18           H4*        G  18 -22.541  23.367 -25.129
  189    H3*    G  18           H3*        G  18 -23.817  25.770 -23.795
  190    H2*    G  18           H2*        G  18 -24.167  24.388 -21.880
  191   2HO*    G  18          2HO*        G  18 -23.819  22.134 -21.997
  192    H1*    G  18           H1*        G  18 -21.676  23.144 -22.093
  193    H8     G  18           H8         G  18 -21.553  26.928 -22.706
  194    H1     G  18           H1         G  18 -21.341  25.290 -16.519
  195   1H2     G  18          1H2         G  18 -21.760  23.138 -16.270
  196   2H2     G  18          2H2         G  18 -22.080  22.087 -17.635
  197   1H5*    G  19          1H5*        G  19 -26.335  22.551 -22.901
  198   2H5*    G  19          2H5*        G  19 -28.039  23.075 -22.958
  199    H4*    G  19           H4*        G  19 -27.248  22.062 -20.756
  200    H3*    G  19           H3*        G  19 -28.294  24.908 -20.729
  201    H2*    G  19           H2*        G  19 -28.182  24.806 -18.349
  202   2HO*    G  19          2HO*        G  19 -28.135  22.901 -17.262
  203    H1*    G  19           H1*        G  19 -25.789  23.297 -18.372
  204    H8     G  19           H8         G  19 -25.481  26.232 -20.757
  205    H1     G  19           H1         G  19 -24.617  27.868 -14.631
  206   1H2     G  19          1H2         G  19 -25.208  26.209 -13.306
  207   2H2     G  19          2H2         G  19 -25.811  24.687 -13.921
  208   1H5*    U  20          1H5*        U  20 -30.554  25.913 -18.901
  209   2H5*    U  20          2H5*        U  20 -30.508  24.359 -18.030
  210    H4*    U  20           H4*        U  20 -32.922  26.177 -18.247
  211    H3*    U  20           H3*        U  20 -30.917  25.797 -16.023
  212    H2*    U  20           H2*        U  20 -32.655  26.046 -14.418
  213   2HO*    U  20          2HO*        U  20 -33.665  27.870 -15.492
  214    H1*    U  20           H1*        U  20 -34.586  24.675 -15.946
  215    H3     U  20           H3         U  20 -33.069  22.775 -11.826
  216    H5     U  20           H5         U  20 -31.500  20.600 -15.073
  217    H6     U  20           H6         U  20 -32.231  22.391 -16.544
  218   1H5*    G  21          1H5*        G  21 -29.700  29.419 -12.979
  219   2H5*    G  21          2H5*        G  21 -28.564  28.455 -13.961
  220    H4*    G  21           H4*        G  21 -30.133  27.701 -11.544
  221    H3*    G  21           H3*        G  21 -27.476  26.868 -12.723
  222    H2*    G  21           H2*        G  21 -27.552  24.915 -11.369
  223   2HO*    G  21          2HO*        G  21 -28.211  25.857  -9.401
  224    H1*    G  21           H1*        G  21 -30.335  24.594 -11.623
  225    H8     G  21           H8         G  21 -28.732  25.254 -14.992
  226    H1     G  21           H1         G  21 -28.320  19.152 -13.134
  227   1H2     G  21          1H2         G  21 -28.940  18.949 -11.021
  228   2H2     G  21          2H2         G  21 -29.453  20.318 -10.065
  229   1H5*    A  22          1H5*        A  22 -26.729  27.660  -8.361
  230   2H5*    A  22          2H5*        A  22 -25.014  28.026  -8.018
  231    H4*    A  22           H4*        A  22 -25.805  26.032  -6.785
  232    H3*    A  22           H3*        A  22 -23.765  25.515  -8.964
  233    H2*    A  22           H2*        A  22 -23.702  23.214  -8.262
  234   2HO*    A  22          2HO*        A  22 -23.883  23.712  -5.957
  235    H1*    A  22           H1*        A  22 -26.415  22.993  -8.069
  236    H8     A  22           H8         A  22 -25.220  25.232 -10.978
  237   1H6     A  22          1H6         A  22 -25.226  20.080 -14.379
  238   2H6     A  22          2H6         A  22 -25.022  21.817 -14.402
  239    H2     A  22           H2         A  22 -26.085  18.962 -10.132
  240   1H5*    C  23          1H5*        C  23 -21.411  24.053  -7.204
  241   2H5*    C  23          2H5*        C  23 -19.799  24.211  -7.952
  242    H4*    C  23           H4*        C  23 -21.831  22.521  -8.784
  243    H3*    C  23           H3*        C  23 -19.473  23.615 -10.317
  244    H2*    C  23           H2*        C  23 -20.274  22.468 -12.257
  245   2HO*    C  23          2HO*        C  23 -22.009  20.980 -12.084
  246    H1*    C  23           H1*        C  23 -22.934  23.113 -11.796
  247   1H4     C  23          1H4         C  23 -20.767  27.571 -15.824
  248   2H4     C  23          2H4         C  23 -20.228  28.533 -14.468
  249    H5     C  23           H5         C  23 -20.311  27.727 -12.150
  250    H6     C  23           H6         C  23 -20.939  25.887 -10.741
  251   1H5*    C  24          1H5*        C  24 -19.550  19.704 -11.443
  252   2H5*    C  24          2H5*        C  24 -17.944  18.943 -11.284
  253    H4*    C  24           H4*        C  24 -18.782  18.605 -13.534
  254    H3*    C  24           H3*        C  24 -16.599  20.700 -13.409
  255    H2*    C  24           H2*        C  24 -16.623  20.736 -15.806
  256   2HO*    C  24          2HO*        C  24 -17.933  19.210 -16.945
  257    H1*    C  24           H1*        C  24 -19.399  20.704 -15.945
  258   1H4     C  24          1H4         C  24 -17.656  26.830 -16.271
  259   2H4     C  24          2H4         C  24 -17.670  26.938 -14.527
  260    H5     C  24           H5         C  24 -18.046  24.990 -13.069
  261    H6     C  24           H6         C  24 -18.450  22.612 -13.047
  262   1H5*    G  25          1H5*        G  25 -14.843  18.166 -16.371
  263   2H5*    G  25          2H5*        G  25 -13.226  17.787 -15.717
  264    H4*    G  25           H4*        G  25 -12.989  18.615 -17.976
  265    H3*    G  25           H3*        G  25 -12.213  20.721 -15.940
  266    H2*    G  25           H2*        G  25 -11.437  22.046 -17.774
  267   2HO*    G  25          2HO*        G  25 -10.508  20.237 -18.971
  268    H1*    G  25           H1*        G  25 -13.635  21.434 -19.358
  269    H8     G  25           H8         G  25 -13.986  22.136 -15.557
  270    H1     G  25           H1         G  25 -15.078  27.137 -19.406
  271   1H2     G  25          1H2         G  25 -14.686  26.568 -21.506
  272   2H2     G  25          2H2         G  25 -14.156  24.964 -21.960
  273   1H5*    U  26          1H5*        U  26  -8.549  20.555 -18.262
  274   2H5*    U  26          2H5*        U  26  -7.258  21.019 -17.120
  275    H4*    U  26           H4*        U  26  -7.726  22.561 -19.150
  276    H3*    U  26           H3*        U  26  -7.703  23.691 -16.339
  277    H2*    U  26           H2*        U  26  -7.819  25.862 -17.362
  278   2HO*    U  26          2HO*        U  26  -7.628  24.518 -19.883
  279    H1*    U  26           H1*        U  26  -9.764  25.066 -19.167
  280    H3     U  26           H3         U  26 -12.251  27.603 -16.405
  281    H5     U  26           H5         U  26 -11.097  24.350 -13.965
  282    H6     U  26           H6         U  26  -9.748  23.549 -15.798
  283   1H5*    G  27          1H5*        G  27  -5.239  26.003 -18.632
  284   2H5*    G  27          2H5*        G  27  -3.755  26.512 -17.786
  285    H4*    G  27           H4*        G  27  -5.381  28.291 -18.820
  286    H3*    G  27           H3*        G  27  -3.617  28.446 -16.511
  287    H2*    G  27           H2*        G  27  -5.271  29.017 -15.017
  288   2HO*    G  27          2HO*        G  27  -4.349  31.078 -15.358
  289    H1*    G  27           H1*        G  27  -7.050  30.032 -17.263
  290    H8     G  27           H8         G  27  -7.844  27.071 -14.993
  291    H1     G  27           H1         G  27 -10.898  32.462 -13.418
  292   1H2     G  27          1H2         G  27 -10.096  34.171 -14.573
  293   2H2     G  27          2H2         G  27  -8.815  33.970 -15.749
  294   1H5*    G  28          1H5*        G  28  -4.927  33.015 -16.794
  295   2H5*    G  28          2H5*        G  28  -5.131  31.895 -18.167
  296    H4*    G  28           H4*        G  28  -5.756  33.863 -19.160
  297    H3*    G  28           H3*        G  28  -2.800  33.545 -19.554
  298    H2*    G  28           H2*        G  28  -2.468  35.758 -20.316
  299   2HO*    G  28          2HO*        G  28  -4.425  35.749 -21.655
  300    H1*    G  28           H1*        G  28  -4.062  37.017 -18.534
  301    H8     G  28           H8         G  28  -2.990  34.600 -16.091
  302    H1     G  28           H1         G  28   2.042  38.041 -18.080
  303   1H2     G  28          1H2         G  28   1.543  39.123 -19.947
  304   2H2     G  28          2H2         G  28  -0.027  38.989 -20.707
  305   1H5*    U  29          1H5*        U  29  -2.981  35.429 -23.050
  306   2H5*    U  29          2H5*        U  29  -2.851  34.159 -24.297
  307    H4*    U  29           H4*        U  29  -1.236  35.800 -24.869
  308    H3*    U  29           H3*        U  29   0.113  33.545 -23.361
  309    H2*    U  29           H2*        U  29   2.207  34.595 -23.827
  310   2HO*    U  29          2HO*        U  29   2.271  36.449 -25.186
  311    H1*    U  29           H1*        U  29   1.309  37.101 -23.176
  312    H3     U  29           H3         U  29   4.022  35.871 -19.758
  313    H5     U  29           H5         U  29   0.421  33.835 -18.993
  314    H6     U  29           H6         U  29  -0.387  34.596 -21.147
  315   1H5*    C  30          1H5*        C  30   2.205  34.142 -27.131
  316   2H5*    C  30          2H5*        C  30   2.826  32.575 -27.717
  317    H4*    C  30           H4*        C  30   4.573  34.358 -27.518
  318    H3*    C  30           H3*        C  30   4.899  31.982 -25.666
  319    H2*    C  30           H2*        C  30   7.068  32.873 -25.140
  320   2HO*    C  30          2HO*        C  30   7.854  34.702 -26.302
  321    H1*    C  30           H1*        C  30   6.101  35.490 -24.973
  322   1H4     C  30          1H4         C  30   6.200  33.243 -18.995
  323   2H4     C  30          2H4         C  30   4.629  32.508 -19.230
  324    H5     C  30           H5         C  30   3.482  32.485 -21.400
  325    H6     C  30           H6         C  30   3.637  33.164 -23.713
  326   1H5*    C  31          1H5*        C  31   8.434  32.217 -27.963
  327   2H5*    C  31          2H5*        C  31   9.169  30.606 -28.190
  328    H4*    C  31           H4*        C  31  10.592  32.373 -27.013
  329    H3*    C  31           H3*        C  31  10.006  29.783 -25.557
  330    H2*    C  31           H2*        C  31  11.600  30.503 -23.923
  331   2HO*    C  31          2HO*        C  31  12.235  32.603 -25.765
  332    H1*    C  31           H1*        C  31  10.722  33.179 -24.041
  333   1H4     C  31          1H4         C  31   8.182  30.490 -18.809
  334   2H4     C  31          2H4         C  31   6.764  30.056 -19.738
  335    H5     C  31           H5         C  31   6.604  30.383 -22.169
  336    H6     C  31           H6         C  31   7.786  31.169 -24.134
  337   1H5*    U  32          1H5*        U  32  14.118  30.043 -25.422
  338   2H5*    U  32          2H5*        U  32  14.825  28.509 -25.996
  339    H4*    U  32           H4*        U  32  15.814  29.141 -23.863
  340    H3*    U  32           H3*        U  32  13.864  26.841 -23.568
  341    H2*    U  32           H2*        U  32  14.652  26.634 -21.319
  342   2HO*    U  32          2HO*        U  32  16.649  28.550 -22.052
  343    H1*    U  32           H1*        U  32  14.750  29.411 -20.935
  344    H3     U  32           H3         U  32  11.536  27.690 -18.161
  345    H5     U  32           H5         U  32   9.663  28.064 -21.917
  346    H6     U  32           H6         U  32  11.820  28.600 -22.865
  347   1H5*    C  33          1H5*        C  33  17.980  25.596 -22.310
  348   2H5*    C  33          2H5*        C  33  18.086  23.816 -22.384
  349    H4*    C  33           H4*        C  33  18.558  25.061 -20.128
  350    H3*    C  33           H3*        C  33  16.662  22.704 -20.269
  351    H2*    C  33           H2*        C  33  16.584  22.804 -17.882
  352   2HO*    C  33          2HO*        C  33  18.091  24.118 -16.736
  353    H1*    C  33           H1*        C  33  16.695  25.632 -17.842
  354   1H4     C  33          1H4         C  33  10.751  23.607 -16.491
  355   2H4     C  33          2H4         C  33  10.307  23.971 -18.139
  356    H5     C  33           H5         C  33  11.912  24.628 -19.831
  357    H6     C  33           H6         C  33  14.272  25.045 -20.281
  358   1H5*    C  34          1H5*        C  34  19.469  21.674 -17.308
  359   2H5*    C  34          2H5*        C  34  19.796  19.922 -17.354
  360    H4*    C  34           H4*        C  34  18.902  20.899 -15.157
  361    H3*    C  34           H3*        C  34  17.427  18.620 -16.502
  362    H2*    C  34           H2*        C  34  15.995  18.536 -14.593
  363   2HO*    C  34          2HO*        C  34  17.829  18.785 -13.074
  364    H1*    C  34           H1*        C  34  16.006  21.338 -14.225
  365   1H4     C  34          1H4         C  34  10.403  19.631 -16.827
  366   2H4     C  34          2H4         C  34  11.054  19.997 -18.408
  367    H5     C  34           H5         C  34  13.417  20.568 -18.777
  368    H6     C  34           H6         C  34  15.545  20.903 -17.693
  Start of MODEL   18
    1   1H5*    G   1          1H5*        G   1   9.338  15.352  -9.174
    2   2H5*    G   1          2H5*        G   1   8.648  15.499 -10.791
    3    H4*    G   1           H4*        G   1  11.397  16.474  -9.983
    4    H3*    G   1           H3*        G   1   8.824  17.991 -10.455
    5    H2*    G   1           H2*        G   1  10.061  19.768 -11.269
    6   2HO*    G   1          2HO*        G   1  12.262  20.039 -10.765
    7    H1*    G   1           H1*        G   1  12.218  18.044 -12.203
    8    H8     G   1           H8         G   1   8.457  18.224 -13.295
    9    H1     G   1           H1         G   1  12.765  20.426 -17.488
   10   1H2     G   1          1H2         G   1  14.795  20.276 -16.637
   11   2H2     G   1          2H2         G   1  15.090  19.651 -15.032
   12   1H5*    G   2          1H5*        G   2  11.308  20.272  -6.576
   13   2H5*    G   2          2H5*        G   2  10.549  21.886  -6.606
   14    H4*    G   2           H4*        G   2  13.185  21.544  -6.933
   15    H3*    G   2           H3*        G   2  11.563  23.478  -8.617
   16    H2*    G   2           H2*        G   2  13.669  24.176  -9.525
   17   2HO*    G   2          2HO*        G   2  15.636  23.479  -8.521
   18    H1*    G   2           H1*        G   2  14.726  21.519  -9.380
   19    H8     G   2           H8         G   2  11.409  21.365 -11.084
   20    H1     G   2           H1         G   2  15.866  23.738 -14.984
   21   1H2     G   2          1H2         G   2  17.702  24.230 -13.868
   22   2H2     G   2          2H2         G   2  17.842  23.978 -12.140
   23   1H5*    A   3          1H5*        A   3  14.925  25.544  -6.903
   24   2H5*    A   3          2H5*        A   3  14.579  27.289  -6.787
   25    H4*    A   3           H4*        A   3  16.551  26.424  -8.307
   26    H3*    A   3           H3*        A   3  14.505  28.428  -9.281
   27    H2*    A   3           H2*        A   3  15.823  28.671 -11.242
   28   2HO*    A   3          2HO*        A   3  17.935  27.798 -11.360
   29    H1*    A   3           H1*        A   3  16.417  25.894 -11.364
   30    H8     A   3           H8         A   3  12.805  25.864 -10.790
   31   1H6     A   3          1H6         A   3  11.970  27.626 -16.674
   32   2H6     A   3          2H6         A   3  11.194  26.989 -15.238
   33    H2     A   3           H2         A   3  16.287  28.230 -15.644
   34   1H5*    G   4          1H5*        G   4  17.925  30.457 -10.172
   35   2H5*    G   4          2H5*        G   4  17.854  32.040  -9.359
   36    H4*    G   4           H4*        G   4  18.422  32.452 -11.639
   37    H3*    G   4           H3*        G   4  15.446  32.926 -11.309
   38    H2*    G   4           H2*        G   4  15.523  33.851 -13.523
   39   2HO*    G   4          2HO*        G   4  18.372  33.605 -13.288
   40    H1*    G   4           H1*        G   4  17.265  31.833 -14.424
   41    H8     G   4           H8         G   4  14.539  30.294 -12.291
   42    H1     G   4           H1         G   4  12.646  31.717 -18.239
   43   1H2     G   4          1H2         G   4  14.179  32.957 -19.244
   44   2H2     G   4          2H2         G   4  15.660  33.429 -18.448
   45   1H5*    G   5          1H5*        G   5  17.213  36.471 -12.917
   46   2H5*    G   5          2H5*        G   5  16.431  37.898 -12.188
   47    H4*    G   5           H4*        G   5  16.500  37.934 -14.692
   48    H3*    G   5           H3*        G   5  13.723  37.759 -13.490
   49    H2*    G   5           H2*        G   5  12.922  38.191 -15.705
   50   2HO*    G   5          2HO*        G   5  14.387  38.822 -17.355
   51    H1*    G   5           H1*        G   5  14.930  36.585 -16.878
   52    H8     G   5           H8         G   5  13.292  34.800 -13.945
   53    H1     G   5           H1         G   5   9.841  34.554 -19.336
   54   1H2     G   5          1H2         G   5  10.683  35.931 -20.846
   55   2H2     G   5          2H2         G   5  12.101  36.905 -20.530
   56   1H5*    A   6          1H5*        A   6  14.041  41.252 -16.049
   57   2H5*    A   6          2H5*        A   6  13.085  42.572 -15.326
   58    H4*    A   6           H4*        A   6  12.534  42.171 -17.713
   59    H3*    A   6           H3*        A   6  10.312  41.468 -15.775
   60    H2*    A   6           H2*        A   6   8.902  41.247 -17.712
   61   2HO*    A   6          2HO*        A   6  11.150  42.335 -19.122
   62    H1*    A   6           H1*        A   6  10.844  39.870 -19.137
   63    H8     A   6           H8         A   6  10.976  38.587 -15.586
   64   1H6     A   6          1H6         A   6   6.071  35.062 -17.015
   65   2H6     A   6          2H6         A   6   7.315  35.371 -15.821
   66    H2     A   6           H2         A   6   6.745  37.976 -20.346
   67   1H5*    C   7          1H5*        C   7   8.901  44.205 -18.749
   68   2H5*    C   7          2H5*        C   7   7.759  45.352 -18.011
   69    H4*    C   7           H4*        C   7   6.978  44.084 -20.101
   70    H3*    C   7           H3*        C   7   5.340  43.938 -17.558
   71    H2*    C   7           H2*        C   7   3.671  42.805 -18.836
   72   2HO*    C   7          2HO*        C   7   3.807  42.722 -21.109
   73    H1*    C   7           H1*        C   7   5.567  41.325 -20.290
   74   1H4     C   7          1H4         C   7   3.157  37.612 -15.651
   75   2H4     C   7          2H4         C   7   4.620  37.897 -14.733
   76    H5     C   7           H5         C   7   6.328  39.513 -15.419
   77    H6     C   7           H6         C   7   6.954  41.121 -17.129
   78   1H5*    A   8          1H5*        A   8   2.885  45.019 -15.753
   79   2H5*    A   8          2H5*        A   8   3.413  44.084 -17.175
   80    H4*    A   8           H4*        A   8   0.919  45.283 -17.802
   81    H3*    A   8           H3*        A   8   0.932  43.865 -15.124
   82    H2*    A   8           H2*        A   8  -1.202  42.998 -15.675
   83   2HO*    A   8          2HO*        A   8  -0.964  44.602 -18.023
   84    H1*    A   8           H1*        A   8  -0.455  42.088 -18.039
   85    H8     A   8           H8         A   8   2.557  42.173 -15.756
   86   1H6     A   8          1H6         A   8   0.703  36.606 -13.752
   87   2H6     A   8          2H6         A   8   1.991  37.788 -13.700
   88    H2     A   8           H2         A   8  -2.500  38.319 -16.395
   89   1H5*    U   9          1H5*        U   9  -3.783  44.620 -14.865
   90   2H5*    U   9          2H5*        U   9  -3.520  45.518 -13.351
   91    H4*    U   9           H4*        U   9  -4.373  43.842 -12.153
   92    H3*    U   9           H3*        U   9  -2.179  42.732 -12.124
   93    H2*    U   9           H2*        U   9  -2.304  42.354 -14.578
   94   2HO*    U   9          2HO*        U   9  -2.534  39.889 -13.220
   95    H1*    U   9           H1*        U   9  -4.732  40.665 -14.019
   96    H3     U   9           H3         U   9  -6.055  40.063 -18.322
   97    H5     U   9           H5         U   9  -2.960  42.897 -18.569
   98    H6     U   9           H6         U   9  -2.919  42.930 -16.159
   99   1H5*    C  10          1H5*        C  10  -6.379  41.763 -11.465
  100   2H5*    C  10          2H5*        C  10  -7.188  41.920  -9.885
  101    H4*    C  10           H4*        C  10  -7.824  39.645  -9.862
  102    H3*    C  10           H3*        C  10  -5.543  38.852 -11.053
  103    H2*    C  10           H2*        C  10  -6.019  40.074 -13.078
  104   2HO*    C  10          2HO*        C  10  -6.400  38.497 -14.660
  105    H1*    C  10           H1*        C  10  -8.729  38.758 -13.087
  106   1H4     C  10          1H4         C  10 -10.158  42.868 -17.720
  107   2H4     C  10          2H4         C  10  -8.762  43.853 -17.355
  108    H5     C  10           H5         C  10  -7.218  43.346 -15.511
  109    H6     C  10           H6         C  10  -6.771  41.812 -13.705
  110   1H5*    C  11          1H5*        C  11  -9.358  37.796  -8.654
  111   2H5*    C  11          2H5*        C  11 -10.257  36.274  -8.438
  112    H4*    C  11           H4*        C  11 -10.934  38.278 -10.194
  113    H3*    C  11           H3*        C  11 -12.169  35.914  -9.561
  114    H2*    C  11           H2*        C  11 -10.752  34.640 -11.029
  115   2HO*    C  11          2HO*        C  11 -12.045  34.052 -12.794
  116    H1*    C  11           H1*        C  11 -11.252  36.847 -13.054
  117   1H4     C  11          1H4         C  11  -6.811  32.660 -15.706
  118   2H4     C  11          2H4         C  11  -6.382  34.188 -16.439
  119    H5     C  11           H5         C  11  -7.393  36.314 -15.766
  120    H6     C  11           H6         C  11  -8.994  37.349 -14.293
  121   1H5*    C  12          1H5*        C  12 -14.843  38.718 -12.511
  122   2H5*    C  12          2H5*        C  12 -15.814  39.963 -11.670
  123    H4*    C  12           H4*        C  12 -17.180  38.337 -12.938
  124    H3*    C  12           H3*        C  12 -17.832  39.240 -10.399
  125    H2*    C  12           H2*        C  12 -16.914  37.313  -9.314
  126   2HO*    C  12          2HO*        C  12 -18.784  35.809  -8.997
  127    H1*    C  12           H1*        C  12 -18.143  35.609 -11.494
  128   1H4     C  12          1H4         C  12 -14.975  31.245  -8.001
  129   2H4     C  12          2H4         C  12 -13.486  31.801  -8.729
  130    H5     C  12           H5         C  12 -13.375  33.769 -10.185
  131    H6     C  12           H6         C  12 -14.669  35.545 -11.214
  132   1H5*    U  13          1H5*        U  13 -21.081  37.449 -14.876
  133   2H5*    U  13          2H5*        U  13 -20.582  36.924 -13.245
  134    H4*    U  13           H4*        U  13 -18.454  38.455 -14.344
  135    H3*    U  13           H3*        U  13 -19.726  37.236 -16.581
  136    H2*    U  13           H2*        U  13 -19.158  35.046 -15.773
  137   2HO*    U  13          2HO*        U  13 -18.139  35.310 -17.822
  138    H1*    U  13           H1*        U  13 -16.605  36.430 -14.873
  139    H3     U  13           H3         U  13 -14.486  33.126 -12.667
  140    H5     U  13           H5         U  13 -18.213  31.418 -13.559
  141    H6     U  13           H6         U  13 -18.899  33.555 -14.495
  142   1H5*    C  14          1H5*        C  14 -16.491  39.565 -19.805
  143   2H5*    C  14          2H5*        C  14 -16.824  38.111 -18.829
  144    H4*    C  14           H4*        C  14 -14.230  39.693 -18.914
  145    H3*    C  14           H3*        C  14 -14.940  36.888 -19.796
  146    H2*    C  14           H2*        C  14 -12.609  36.359 -19.493
  147   2HO*    C  14          2HO*        C  14 -11.166  38.132 -18.894
  148    H1*    C  14           H1*        C  14 -12.443  37.839 -17.119
  149   1H4     C  14          1H4         C  14 -13.253  31.880 -15.079
  150   2H4     C  14          2H4         C  14 -14.904  31.847 -15.641
  151    H5     C  14           H5         C  14 -15.939  33.724 -16.871
  152    H6     C  14           H6         C  14 -15.528  35.937 -17.788
  153   1H5*    A  15          1H5*        A  15 -12.035  36.884 -23.068
  154   2H5*    A  15          2H5*        A  15 -13.177  36.607 -24.411
  155    H4*    A  15           H4*        A  15 -11.647  34.822 -24.546
  156    H3*    A  15           H3*        A  15 -13.938  33.795 -22.858
  157    H2*    A  15           H2*        A  15 -12.921  31.621 -23.173
  158   2HO*    A  15          2HO*        A  15 -11.039  31.468 -24.491
  159    H1*    A  15           H1*        A  15 -10.429  32.687 -22.546
  160    H8     A  15           H8         A  15 -12.756  34.516 -20.330
  161   1H6     A  15          1H6         A  15 -13.043  29.485 -16.734
  162   2H6     A  15          2H6         A  15 -13.450  31.178 -16.863
  163    H2     A  15           H2         A  15 -10.964  28.403 -20.542
  164   1H5*    C  16          1H5*        C  16 -13.685  31.053 -25.858
  165   2H5*    C  16          2H5*        C  16 -15.275  30.810 -26.634
  166    H4*    C  16           H4*        C  16 -14.198  28.678 -25.979
  167    H3*    C  16           H3*        C  16 -16.712  29.421 -24.473
  168    H2*    C  16           H2*        C  16 -16.626  27.289 -23.391
  169   2HO*    C  16          2HO*        C  16 -14.998  25.762 -24.062
  170    H1*    C  16           H1*        C  16 -13.889  27.408 -22.953
  171   1H4     C  16          1H4         C  16 -16.151  29.851 -17.543
  172   2H4     C  16          2H4         C  16 -16.968  31.147 -18.389
  173    H5     C  16           H5         C  16 -16.942  31.362 -20.843
  174    H6     C  16           H6         C  16 -16.128  30.355 -22.894
  175   1H5*    G  17          1H5*        G  17 -17.628  25.635 -26.302
  176   2H5*    G  17          2H5*        G  17 -19.335  25.587 -26.812
  177    H4*    G  17           H4*        G  17 -18.625  23.742 -25.249
  178    H3*    G  17           H3*        G  17 -20.778  25.639 -24.288
  179    H2*    G  17           H2*        G  17 -21.059  24.196 -22.398
  180   2HO*    G  17          2HO*        G  17 -19.891  22.170 -22.362
  181    H1*    G  17           H1*        G  17 -18.311  23.766 -22.109
  182    H8     G  17           H8         G  17 -19.601  27.341 -22.858
  183    H1     G  17           H1         G  17 -19.006  25.863 -16.672
  184   1H2     G  17          1H2         G  17 -18.484  23.724 -16.454
  185   2H2     G  17          2H2         G  17 -18.276  22.675 -17.833
  186   1H5*    G  18          1H5*        G  18 -23.098  21.863 -23.957
  187   2H5*    G  18          2H5*        G  18 -24.584  22.320 -24.836
  188    H4*    G  18           H4*        G  18 -25.295  21.504 -22.723
  189    H3*    G  18           H3*        G  18 -25.171  24.525 -22.556
  190    H2*    G  18           H2*        G  18 -26.215  24.313 -20.429
  191   2HO*    G  18          2HO*        G  18 -27.060  22.306 -19.742
  192    H1*    G  18           H1*        G  18 -24.690  22.073 -19.724
  193    H8     G  18           H8         G  18 -22.913  25.040 -21.464
  194    H1     G  18           H1         G  18 -23.116  25.398 -15.071
  195   1H2     G  18          1H2         G  18 -24.357  23.773 -14.246
  196   2H2     G  18          2H2         G  18 -25.146  22.592 -15.270
  197   1H5*    G  19          1H5*        G  19 -28.572  27.087 -21.747
  198   2H5*    G  19          2H5*        G  19 -27.168  25.997 -21.590
  199    H4*    G  19           H4*        G  19 -29.307  24.324 -21.135
  200    H3*    G  19           H3*        G  19 -30.037  27.067 -20.160
  201    H2*    G  19           H2*        G  19 -30.430  26.434 -17.912
  202   2HO*    G  19          2HO*        G  19 -30.790  24.332 -17.326
  203    H1*    G  19           H1*        G  19 -28.314  24.806 -17.590
  204    H8     G  19           H8         G  19 -27.092  27.425 -20.058
  205    H1     G  19           H1         G  19 -27.155  29.517 -14.026
  206   1H2     G  19          1H2         G  19 -28.237  28.102 -12.736
  207   2H2     G  19          2H2         G  19 -28.952  26.631 -13.355
  208   1H5*    U  20          1H5*        U  20 -32.380  27.501 -18.130
  209   2H5*    U  20          2H5*        U  20 -32.725  25.898 -17.433
  210    H4*    U  20           H4*        U  20 -34.909  27.891 -18.021
  211    H3*    U  20           H3*        U  20 -33.204  27.683 -15.545
  212    H2*    U  20           H2*        U  20 -35.116  28.066 -14.180
  213   2HO*    U  20          2HO*        U  20 -35.926  29.833 -15.502
  214    H1*    U  20           H1*        U  20 -36.898  26.654 -15.853
  215    H3     U  20           H3         U  20 -36.211  25.023 -11.450
  216    H5     U  20           H5         U  20 -34.052  22.627 -14.156
  217    H6     U  20           H6         U  20 -34.464  24.295 -15.868
  218   1H5*    G  21          1H5*        G  21 -32.359  31.131 -12.416
  219   2H5*    G  21          2H5*        G  21 -31.110  30.301 -13.380
  220    H4*    G  21           H4*        G  21 -32.835  29.278 -11.187
  221    H3*    G  21           H3*        G  21 -30.107  28.573 -12.278
  222    H2*    G  21           H2*        G  21 -30.249  26.484 -11.148
  223   2HO*    G  21          2HO*        G  21 -31.841  26.125  -9.555
  224    H1*    G  21           H1*        G  21 -33.005  26.183 -11.613
  225    H8     G  21           H8         G  21 -31.164  27.218 -14.767
  226    H1     G  21           H1         G  21 -30.925  20.937 -13.611
  227   1H2     G  21          1H2         G  21 -31.706  20.498 -11.589
  228   2H2     G  21          2H2         G  21 -32.285  21.754 -10.521
  229   1H5*    A  22          1H5*        A  22 -29.733  28.606  -7.836
  230   2H5*    A  22          2H5*        A  22 -28.057  28.936  -7.319
  231    H4*    A  22           H4*        A  22 -28.920  26.782  -6.445
  232    H3*    A  22           H3*        A  22 -26.601  26.631  -8.399
  233    H2*    A  22           H2*        A  22 -26.595  24.247  -8.217
  234   2HO*    A  22          2HO*        A  22 -27.867  23.227  -6.607
  235    H1*    A  22           H1*        A  22 -29.284  23.943  -8.277
  236    H8     A  22           H8         A  22 -27.923  26.707 -10.596
  237   1H6     A  22          1H6         A  22 -27.534  22.324 -14.908
  238   2H6     A  22          2H6         A  22 -27.383  24.035 -14.580
  239    H2     A  22           H2         A  22 -28.643  20.384 -11.039
  240   1H5*    C  23          1H5*        C  23 -22.174  27.477  -6.553
  241   2H5*    C  23          2H5*        C  23 -23.314  28.251  -7.686
  242    H4*    C  23           H4*        C  23 -23.830  25.417  -6.907
  243    H3*    C  23           H3*        C  23 -21.621  26.262  -8.784
  244    H2*    C  23           H2*        C  23 -22.142  24.375 -10.164
  245   2HO*    C  23          2HO*        C  23 -23.619  22.790  -9.438
  246    H1*    C  23           H1*        C  23 -24.885  24.718  -9.955
  247   1H4     C  23          1H4         C  23 -23.004  27.767 -15.265
  248   2H4     C  23          2H4         C  23 -22.973  29.264 -14.360
  249    H5     C  23           H5         C  23 -23.302  29.353 -11.924
  250    H6     C  23           H6         C  23 -23.730  28.035  -9.953
  251   1H5*    C  24          1H5*        C  24 -20.875  22.311  -8.510
  252   2H5*    C  24          2H5*        C  24 -19.171  22.003  -8.078
  253    H4*    C  24           H4*        C  24 -19.791  20.789 -10.110
  254    H3*    C  24           H3*        C  24 -17.949  23.139 -10.620
  255    H2*    C  24           H2*        C  24 -17.761  22.367 -12.879
  256   2HO*    C  24          2HO*        C  24 -18.680  20.345 -13.472
  257    H1*    C  24           H1*        C  24 -20.486  21.793 -13.074
  258   1H4     C  24          1H4         C  24 -19.563  27.593 -15.598
  259   2H4     C  24          2H4         C  24 -19.927  28.314 -14.049
  260    H5     C  24           H5         C  24 -20.279  26.985 -12.000
  261    H6     C  24           H6         C  24 -20.308  24.744 -11.103
  262   1H5*    G  25          1H5*        G  25 -15.840  20.000 -12.403
  263   2H5*    G  25          2H5*        G  25 -14.200  19.976 -11.701
  264    H4*    G  25           H4*        G  25 -14.080  19.897 -14.136
  265    H3*    G  25           H3*        G  25 -13.265  22.596 -13.023
  266    H2*    G  25           H2*        G  25 -12.596  23.187 -15.239
  267   2HO*    G  25          2HO*        G  25 -12.940  20.401 -15.821
  268    H1*    G  25           H1*        G  25 -14.776  21.863 -16.429
  269    H8     G  25           H8         G  25 -15.219  24.176 -13.320
  270    H1     G  25           H1         G  25 -16.260  26.967 -18.989
  271   1H2     G  25          1H2         G  25 -15.776  25.572 -20.628
  272   2H2     G  25          2H2         G  25 -15.206  23.945 -20.336
  273   1H5*    U  26          1H5*        U  26  -9.873  20.866 -15.400
  274   2H5*    U  26          2H5*        U  26  -8.361  21.464 -14.664
  275    H4*    U  26           H4*        U  26  -8.499  21.913 -17.107
  276    H3*    U  26           H3*        U  26  -8.548  24.356 -15.318
  277    H2*    U  26           H2*        U  26  -8.397  25.689 -17.298
  278   2HO*    U  26          2HO*        U  26  -8.085  23.236 -18.740
  279    H1*    U  26           H1*        U  26 -10.244  24.165 -18.692
  280    H3     U  26           H3         U  26 -12.907  27.703 -17.940
  281    H5     U  26           H5         U  26 -11.916  26.416 -14.038
  282    H6     U  26           H6         U  26 -10.494  24.738 -15.029
  283   1H5*    G  27          1H5*        G  27  -5.481  25.027 -17.998
  284   2H5*    G  27          2H5*        G  27  -4.102  25.906 -17.285
  285    H4*    G  27           H4*        G  27  -5.441  26.917 -19.307
  286    H3*    G  27           H3*        G  27  -3.897  28.181 -17.272
  287    H2*    G  27           H2*        G  27  -5.658  29.231 -16.187
  288   2HO*    G  27          2HO*        G  27  -6.103  31.247 -17.012
  289    H1*    G  27           H1*        G  27  -7.315  29.342 -18.726
  290    H8     G  27           H8         G  27  -8.154  27.280 -15.628
  291    H1     G  27           H1         G  27 -11.383  32.776 -16.004
  292   1H2     G  27          1H2         G  27 -10.586  34.046 -17.617
  293   2H2     G  27          2H2         G  27  -9.253  33.529 -18.631
  294   1H5*    G  28          1H5*        G  28  -4.074  32.288 -18.628
  295   2H5*    G  28          2H5*        G  28  -5.240  31.729 -19.855
  296    H4*    G  28           H4*        G  28  -4.844  33.485 -21.183
  297    H3*    G  28           H3*        G  28  -1.904  33.085 -20.579
  298    H2*    G  28           H2*        G  28  -1.466  35.298 -21.402
  299   2HO*    G  28          2HO*        G  28  -3.216  36.534 -22.279
  300    H1*    G  28           H1*        G  28  -3.482  36.447 -19.980
  301    H8     G  28           H8         G  28  -2.701  33.974 -17.436
  302    H1     G  28           H1         G  28   2.275  37.917 -18.290
  303   1H2     G  28          1H2         G  28   2.029  39.067 -20.163
  304   2H2     G  28          2H2         G  28   0.645  38.854 -21.210
  305   1H5*    U  29          1H5*        U  29  -1.301  35.005 -23.849
  306   2H5*    U  29          2H5*        U  29  -0.669  33.895 -25.094
  307    H4*    U  29           H4*        U  29   0.698  35.881 -25.065
  308    H3*    U  29           H3*        U  29   2.097  33.599 -23.646
  309    H2*    U  29           H2*        U  29   4.038  34.998 -23.594
  310   2HO*    U  29          2HO*        U  29   4.014  37.015 -24.711
  311    H1*    U  29           H1*        U  29   2.567  37.263 -22.905
  312    H3     U  29           H3         U  29   5.225  36.042 -19.368
  313    H5     U  29           H5         U  29   1.752  33.689 -19.016
  314    H6     U  29           H6         U  29   1.074  34.479 -21.204
  315   1H5*    C  30          1H5*        C  30   4.565  34.946 -26.854
  316   2H5*    C  30          2H5*        C  30   5.446  33.589 -27.608
  317    H4*    C  30           H4*        C  30   6.930  35.461 -26.913
  318    H3*    C  30           H3*        C  30   7.313  32.895 -25.348
  319    H2*    C  30           H2*        C  30   9.286  33.928 -24.444
  320   2HO*    C  30          2HO*        C  30  10.019  35.923 -25.274
  321    H1*    C  30           H1*        C  30   7.989  36.382 -24.091
  322   1H4     C  30          1H4         C  30   7.822  33.340 -18.469
  323   2H4     C  30          2H4         C  30   6.307  32.588 -18.920
  324    H5     C  30           H5         C  30   5.315  32.821 -21.161
  325    H6     C  30           H6         C  30   5.616  33.802 -23.352
  326   1H5*    C  31          1H5*        C  31  11.003  33.865 -27.180
  327   2H5*    C  31          2H5*        C  31  11.965  32.407 -27.542
  328    H4*    C  31           H4*        C  31  13.050  34.157 -26.032
  329    H3*    C  31           H3*        C  31  12.703  31.349 -24.948
  330    H2*    C  31           H2*        C  31  14.084  32.049 -23.121
  331   2HO*    C  31          2HO*        C  31  15.143  34.094 -23.208
  332    H1*    C  31           H1*        C  31  12.882  34.595 -23.014
  333   1H4     C  31          1H4         C  31  10.464  30.938 -18.323
  334   2H4     C  31          2H4         C  31   9.099  30.569 -19.353
  335    H5     C  31           H5         C  31   8.975  31.266 -21.708
  336    H6     C  31           H6         C  31  10.153  32.418 -23.485
  337   1H5*    U  32          1H5*        U  32  16.689  32.324 -24.375
  338   2H5*    U  32          2H5*        U  32  17.709  30.996 -24.985
  339    H4*    U  32           H4*        U  32  18.350  31.678 -22.703
  340    H3*    U  32           H3*        U  32  17.042  28.950 -22.832
  341    H2*    U  32           H2*        U  32  17.684  28.684 -20.541
  342   2HO*    U  32          2HO*        U  32  19.112  30.188 -19.566
  343    H1*    U  32           H1*        U  32  17.105  31.377 -19.921
  344    H3     U  32           H3         U  32  14.350  28.594 -17.499
  345    H5     U  32           H5         U  32  12.483  29.060 -21.247
  346    H6     U  32           H6         U  32  14.485  30.171 -22.037
  347   1H5*    C  33          1H5*        C  33  20.468  28.217 -20.785
  348   2H5*    C  33          2H5*        C  33  21.428  27.031 -21.707
  349    H4*    C  33           H4*        C  33  21.437  26.283 -19.453
  350    H3*    C  33           H3*        C  33  19.269  24.767 -20.930
  351    H2*    C  33           H2*        C  33  19.029  23.454 -18.964
  352   2HO*    C  33          2HO*        C  33  20.636  23.582 -17.295
  353    H1*    C  33           H1*        C  33  19.699  25.677 -17.261
  354   1H4     C  33          1H4         C  33  13.431  24.682 -16.413
  355   2H4     C  33          2H4         C  33  13.076  25.451 -17.942
  356    H5     C  33           H5         C  33  14.833  26.215 -19.486
  357    H6     C  33           H6         C  33  17.213  26.365 -19.822
  358   1H5*    C  34          1H5*        C  34  21.048  21.499 -19.304
  359   2H5*    C  34          2H5*        C  34  21.519  20.446 -20.666
  360    H4*    C  34           H4*        C  34  20.158  19.209 -19.023
  361    H3*    C  34           H3*        C  34  18.584  19.825 -21.543
  362    H2*    C  34           H2*        C  34  16.934  18.356 -20.689
  363   2HO*    C  34          2HO*        C  34  19.060  17.446 -19.009
  364    H1*    C  34           H1*        C  34  17.503  19.141 -17.980
  365   1H4     C  34          1H4         C  34  11.844  21.708 -19.379
  366   2H4     C  34          2H4         C  34  12.631  23.063 -20.167
  367    H5     C  34           H5         C  34  15.091  23.167 -20.513
  368    H6     C  34           H6         C  34  17.178  21.966 -20.154
  Start of MODEL   19
    1   1H5*    G   1          1H5*        G   1   4.181  17.158 -13.997
    2   2H5*    G   1          2H5*        G   1   4.970  17.358 -15.561
    3    H4*    G   1           H4*        G   1   6.047  15.718 -13.257
    4    H3*    G   1           H3*        G   1   6.815  18.472 -14.255
    5    H2*    G   1           H2*        G   1   9.074  18.008 -13.606
    6   2HO*    G   1          2HO*        G   1   9.580  16.225 -12.344
    7    H1*    G   1           H1*        G   1   9.053  15.437 -14.611
    8    H8     G   1           H8         G   1   7.263  16.872 -17.394
    9    H1     G   1           H1         G   1  13.117  19.430 -17.092
   10   1H2     G   1          1H2         G   1  14.043  19.011 -15.130
   11   2H2     G   1          2H2         G   1  13.219  18.102 -13.882
   12   1H5*    G   2          1H5*        G   2   8.357  18.296 -10.170
   13   2H5*    G   2          2H5*        G   2   8.166  19.895  -9.399
   14    H4*    G   2           H4*        G   2  10.521  18.960  -9.420
   15    H3*    G   2           H3*        G   2   9.969  21.615 -10.767
   16    H2*    G   2           H2*        G   2  12.320  21.835 -11.168
   17   2HO*    G   2          2HO*        G   2  13.775  20.297 -10.299
   18    H1*    G   2           H1*        G   2  12.611  19.278 -12.069
   19    H8     G   2           H8         G   2   9.232  20.125 -13.392
   20    H1     G   2           H1         G   2  13.833  23.304 -16.481
   21   1H2     G   2          1H2         G   2  15.752  23.172 -15.383
   22   2H2     G   2          2H2         G   2  15.902  22.281 -13.885
   23   1H5*    A   3          1H5*        A   3  13.238  22.533  -8.842
   24   2H5*    A   3          2H5*        A   3  13.126  24.083  -7.967
   25    H4*    A   3           H4*        A   3  14.962  23.920  -9.726
   26    H3*    A   3           H3*        A   3  12.844  26.054 -10.047
   27    H2*    A   3           H2*        A   3  14.072  26.907 -11.858
   28   2HO*    A   3          2HO*        A   3  16.255  26.281 -12.226
   29    H1*    A   3           H1*        A   3  14.928  24.316 -12.727
   30    H8     A   3           H8         A   3  11.244  24.141 -12.356
   31   1H6     A   3          1H6         A   3  10.827  27.092 -17.806
   32   2H6     A   3          2H6         A   3   9.941  26.191 -16.591
   33    H2     A   3           H2         A   3  15.065  27.361 -16.365
   34   1H5*    G   4          1H5*        G   4  16.431  28.396  -9.999
   35   2H5*    G   4          2H5*        G   4  16.091  29.803  -8.961
   36    H4*    G   4           H4*        G   4  16.927  30.542 -11.122
   37    H3*    G   4           H3*        G   4  13.941  31.014 -10.904
   38    H2*    G   4           H2*        G   4  14.181  32.310 -12.911
   39   2HO*    G   4          2HO*        G   4  16.259  32.821 -13.708
   40    H1*    G   4           H1*        G   4  16.007  30.458 -14.014
   41    H8     G   4           H8         G   4  13.093  28.592 -12.494
   42    H1     G   4           H1         G   4  11.737  31.221 -18.174
   43   1H2     G   4          1H2         G   4  13.354  32.614 -18.767
   44   2H2     G   4          2H2         G   4  14.759  32.887 -17.768
   45   1H5*    G   5          1H5*        G   5  15.962  35.038 -11.392
   46   2H5*    G   5          2H5*        G   5  14.790  36.242 -10.789
   47    H4*    G   5           H4*        G   5  15.640  36.370 -13.265
   48    H3*    G   5           H3*        G   5  12.683  36.488 -12.615
   49    H2*    G   5           H2*        G   5  12.361  37.056 -14.920
   50   2HO*    G   5          2HO*        G   5  15.204  37.410 -14.946
   51    H1*    G   5           H1*        G   5  14.371  35.265 -15.780
   52    H8     G   5           H8         G   5  12.231  33.325 -13.389
   53    H1     G   5           H1         G   5   9.279  34.289 -18.985
   54   1H2     G   5          1H2         G   5  10.348  35.808 -20.185
   55   2H2     G   5          2H2         G   5  11.808  36.585 -19.612
   56   1H5*    A   6          1H5*        A   6  13.625  39.887 -15.062
   57   2H5*    A   6          2H5*        A   6  12.856  41.300 -14.295
   58    H4*    A   6           H4*        A   6  12.342  41.186 -16.696
   59    H3*    A   6           H3*        A   6   9.968  40.574 -14.915
   60    H2*    A   6           H2*        A   6   8.619  40.637 -16.897
   61   2HO*    A   6          2HO*        A   6   9.568  41.283 -18.891
   62    H1*    A   6           H1*        A   6  10.452  39.204 -18.390
   63    H8     A   6           H8         A   6  10.317  37.667 -14.926
   64   1H6     A   6          1H6         A   6   5.226  34.681 -16.853
   65   2H6     A   6          2H6         A   6   6.422  34.804 -15.579
   66    H2     A   6           H2         A   6   6.345  37.747 -19.938
   67   1H5*    C   7          1H5*        C   7   8.977  43.574 -17.790
   68   2H5*    C   7          2H5*        C   7   7.972  44.824 -17.019
   69    H4*    C   7           H4*        C   7   7.083  43.806 -19.184
   70    H3*    C   7           H3*        C   7   5.401  43.727 -16.668
   71    H2*    C   7           H2*        C   7   3.637  42.784 -17.936
   72   2HO*    C   7          2HO*        C   7   3.687  42.801 -20.213
   73    H1*    C   7           H1*        C   7   5.309  41.217 -19.547
   74   1H4     C   7          1H4         C   7   2.781  37.300 -15.173
   75   2H4     C   7          2H4         C   7   4.091  37.682 -14.079
   76    H5     C   7           H5         C   7   5.773  39.397 -14.555
   77    H6     C   7           H6         C   7   6.515  41.038 -16.176
   78   1H5*    A   8          1H5*        A   8   1.115  46.329 -17.334
   79   2H5*    A   8          2H5*        A   8   1.655  44.938 -16.356
   80    H4*    A   8           H4*        A   8   0.246  44.881 -19.031
   81    H3*    A   8           H3*        A   8  -0.446  43.821 -16.293
   82    H2*    A   8           H2*        A   8  -1.842  42.188 -17.383
   83   2HO*    A   8          2HO*        A   8  -1.142  43.708 -19.687
   84    H1*    A   8           H1*        A   8   0.154  41.374 -18.911
   85    H8     A   8           H8         A   8   2.217  42.575 -16.209
   86   1H6     A   8          1H6         A   8   0.282  37.845 -12.689
   87   2H6     A   8          2H6         A   8   1.478  39.111 -12.844
   88    H2     A   8           H2         A   8  -2.408  38.178 -16.277
   89   1H5*    U   9          1H5*        U   9  -3.663  43.751 -18.501
   90   2H5*    U   9          2H5*        U   9  -5.067  44.328 -19.373
   91    H4*    U   9           H4*        U   9  -5.939  45.237 -17.278
   92    H3*    U   9           H3*        U   9  -3.903  45.339 -15.824
   93    H2*    U   9           H2*        U   9  -3.209  43.305 -17.027
   94   2HO*    U   9          2HO*        U   9  -2.583  41.881 -15.235
   95    H1*    U   9           H1*        U   9  -5.365  41.908 -15.479
   96    H3     U   9           H3         U   9  -4.915  37.793 -17.284
   97    H5     U   9           H5         U   9  -2.630  40.226 -19.813
   98    H6     U   9           H6         U   9  -3.365  42.091 -18.540
   99   1H5*    C  10          1H5*        C  10  -7.698  43.222 -15.744
  100   2H5*    C  10          2H5*        C  10  -9.157  44.233 -15.676
  101    H4*    C  10           H4*        C  10 -10.121  42.867 -13.954
  102    H3*    C  10           H3*        C  10  -7.776  42.256 -12.879
  103    H2*    C  10           H2*        C  10  -6.850  41.268 -14.846
  104   2HO*    C  10          2HO*        C  10  -6.739  39.029 -14.475
  105    H1*    C  10           H1*        C  10  -9.247  39.522 -15.275
  106   1H4     C  10          1H4         C  10  -6.255  39.038 -20.901
  107   2H4     C  10          2H4         C  10  -6.472  40.749 -21.189
  108    H5     C  10           H5         C  10  -7.452  42.260 -19.522
  109    H6     C  10           H6         C  10  -8.418  42.379 -17.296
  110   1H5*    C  11          1H5*        C  11  -5.842  41.029  -9.674
  111   2H5*    C  11          2H5*        C  11  -7.310  40.217  -9.067
  112    H4*    C  11           H4*        C  11  -7.876  42.140  -8.070
  113    H3*    C  11           H3*        C  11  -8.909  42.613 -10.567
  114    H2*    C  11           H2*        C  11  -6.914  43.569 -11.440
  115   2HO*    C  11          2HO*        C  11  -7.200  45.870 -11.440
  116    H1*    C  11           H1*        C  11  -6.628  45.202  -8.902
  117   1H4     C  11          1H4         C  11  -0.981  46.508 -11.575
  118   2H4     C  11          2H4         C  11  -0.679  44.814 -11.884
  119    H5     C  11           H5         C  11  -2.320  43.055 -11.375
  120    H6     C  11           H6         C  11  -4.525  42.621 -10.481
  121   1H5*    C  12          1H5*        C  12 -10.870  42.461 -11.891
  122   2H5*    C  12          2H5*        C  12 -12.087  43.757 -11.737
  123    H4*    C  12           H4*        C  12 -12.979  41.498 -12.396
  124    H3*    C  12           H3*        C  12 -14.207  43.328 -10.686
  125    H2*    C  12           H2*        C  12 -13.579  42.199  -8.686
  126   2HO*    C  12          2HO*        C  12 -15.357  41.011  -7.966
  127    H1*    C  12           H1*        C  12 -14.017  39.549 -10.091
  128   1H4     C  12          1H4         C  12 -11.234  38.153  -4.333
  129   2H4     C  12          2H4         C  12  -9.948  37.558  -5.357
  130    H5     C  12           H5         C  12  -9.900  37.922  -7.777
  131    H6     C  12           H6         C  12 -11.055  38.914  -9.647
  132   1H5*    U  13          1H5*        U  13 -18.675  39.859 -11.093
  133   2H5*    U  13          2H5*        U  13 -17.285  40.494 -10.183
  134    H4*    U  13           H4*        U  13 -16.350  39.804 -12.733
  135    H3*    U  13           H3*        U  13 -18.447  38.188 -12.662
  136    H2*    U  13           H2*        U  13 -18.108  37.484 -10.400
  137   2HO*    U  13          2HO*        U  13 -18.314  35.615 -11.742
  138    H1*    U  13           H1*        U  13 -15.238  36.884 -11.001
  139    H3     U  13           H3         U  13 -17.257  38.673  -6.389
  140    H5     U  13           H5         U  13 -14.100  35.936  -6.684
  141    H6     U  13           H6         U  13 -14.247  36.103  -9.099
  142   1H5*    C  14          1H5*        C  14 -15.075  38.945 -13.748
  143   2H5*    C  14          2H5*        C  14 -15.428  40.559 -14.410
  144    H4*    C  14           H4*        C  14 -13.688  40.454 -15.801
  145    H3*    C  14           H3*        C  14 -14.633  37.672 -16.517
  146    H2*    C  14           H2*        C  14 -12.490  37.208 -17.476
  147   2HO*    C  14          2HO*        C  14 -11.884  39.946 -16.877
  148    H1*    C  14           H1*        C  14 -11.101  38.091 -15.328
  149   1H4     C  14          1H4         C  14 -12.859  32.030 -14.051
  150   2H4     C  14          2H4         C  14 -14.089  32.648 -12.975
  151    H5     C  14           H5         C  14 -14.612  35.047 -12.774
  152    H6     C  14           H6         C  14 -14.047  37.257 -13.592
  153   1H5*    A  15          1H5*        A  15 -13.142  38.543 -20.586
  154   2H5*    A  15          2H5*        A  15 -14.562  38.072 -21.561
  155    H4*    A  15           H4*        A  15 -12.457  36.852 -22.152
  156    H3*    A  15           H3*        A  15 -14.697  35.160 -21.009
  157    H2*    A  15           H2*        A  15 -13.382  33.242 -21.656
  158   2HO*    A  15          2HO*        A  15 -11.375  33.614 -22.769
  159    H1*    A  15           H1*        A  15 -11.075  34.358 -20.598
  160    H8     A  15           H8         A  15 -13.645  35.489 -18.206
  161   1H6     A  15          1H6         A  15 -13.826  29.772 -15.846
  162   2H6     A  15          2H6         A  15 -14.319  31.436 -15.623
  163    H2     A  15           H2         A  15 -11.498  29.647 -19.680
  164   1H5*    C  16          1H5*        C  16 -14.010  33.311 -24.641
  165   2H5*    C  16          2H5*        C  16 -15.547  33.071 -25.519
  166    H4*    C  16           H4*        C  16 -14.224  30.982 -25.287
  167    H3*    C  16           H3*        C  16 -16.847  31.059 -23.779
  168    H2*    C  16           H2*        C  16 -16.514  28.745 -23.260
  169   2HO*    C  16          2HO*        C  16 -14.258  28.877 -25.025
  170    H1*    C  16           H1*        C  16 -13.817  29.089 -22.683
  171   1H4     C  16          1H4         C  16 -16.581  29.596 -16.981
  172   2H4     C  16          2H4         C  16 -17.393  31.077 -17.442
  173    H5     C  16           H5         C  16 -17.231  32.036 -19.689
  174    H6     C  16           H6         C  16 -16.253  31.755 -21.887
  175   1H5*    G  17          1H5*        G  17 -17.348  27.642 -26.628
  176   2H5*    G  17          2H5*        G  17 -19.103  27.468 -26.887
  177    H4*    G  17           H4*        G  17 -17.816  25.477 -25.869
  178    H3*    G  17           H3*        G  17 -20.254  26.613 -24.479
  179    H2*    G  17           H2*        G  17 -20.102  24.776 -22.944
  180   2HO*    G  17          2HO*        G  17 -18.572  23.101 -23.327
  181    H1*    G  17           H1*        G  17 -17.354  24.990 -22.697
  182    H8     G  17           H8         G  17 -18.869  28.479 -22.851
  183    H1     G  17           H1         G  17 -19.372  25.723 -17.115
  184   1H2     G  17          1H2         G  17 -18.835  23.578 -17.235
  185   2H2     G  17          2H2         G  17 -18.336  22.831 -18.735
  186   1H5*    G  18          1H5*        G  18 -20.938  22.424 -24.894
  187   2H5*    G  18          2H5*        G  18 -22.611  22.171 -25.460
  188    H4*    G  18           H4*        G  18 -22.124  20.801 -23.482
  189    H3*    G  18           H3*        G  18 -24.015  23.102 -22.931
  190    H2*    G  18           H2*        G  18 -24.353  22.153 -20.759
  191   2HO*    G  18          2HO*        G  18 -23.425  20.113 -20.249
  192    H1*    G  18           H1*        G  18 -21.664  21.639 -20.376
  193    H8     G  18           H8         G  18 -22.122  24.963 -22.186
  194    H1     G  18           H1         G  18 -23.000  25.369 -15.861
  195   1H2     G  18          1H2         G  18 -23.079  23.353 -14.961
  196   2H2     G  18          2H2         G  18 -22.906  21.897 -15.919
  197   1H5*    G  19          1H5*        G  19 -26.004  19.939 -21.367
  198   2H5*    G  19          2H5*        G  19 -27.738  19.993 -21.781
  199    H4*    G  19           H4*        G  19 -27.238  19.916 -19.309
  200    H3*    G  19           H3*        G  19 -28.657  22.387 -20.344
  201    H2*    G  19           H2*        G  19 -28.959  23.024 -18.061
  202   2HO*    G  19          2HO*        G  19 -28.776  21.578 -16.413
  203    H1*    G  19           H1*        G  19 -26.393  22.128 -17.312
  204    H8     G  19           H8         G  19 -25.869  24.078 -20.461
  205    H1     G  19           H1         G  19 -27.142  27.880 -15.478
  206   1H2     G  19          1H2         G  19 -27.896  26.692 -13.782
  207   2H2     G  19          2H2         G  19 -28.083  24.955 -13.865
  208   1H5*    U  20          1H5*        U  20 -31.331  23.577 -20.027
  209   2H5*    U  20          2H5*        U  20 -31.120  22.453 -18.662
  210    H4*    U  20           H4*        U  20 -33.744  23.528 -19.731
  211    H3*    U  20           H3*        U  20 -32.185  24.106 -17.210
  212    H2*    U  20           H2*        U  20 -34.231  24.373 -16.021
  213   2HO*    U  20          2HO*        U  20 -35.279  25.645 -17.685
  214    H1*    U  20           H1*        U  20 -35.572  22.314 -17.410
  215    H3     U  20           H3         U  20 -34.675  21.790 -12.740
  216    H5     U  20           H5         U  20 -32.133  19.286 -14.978
  217    H6     U  20           H6         U  20 -32.813  20.489 -16.976
  218   1H5*    G  21          1H5*        G  21 -32.637  28.669 -15.223
  219   2H5*    G  21          2H5*        G  21 -31.068  27.883 -15.542
  220    H4*    G  21           H4*        G  21 -33.008  27.455 -13.351
  221    H3*    G  21           H3*        G  21 -30.052  26.943 -13.719
  222    H2*    G  21           H2*        G  21 -30.117  25.533 -11.804
  223   2HO*    G  21          2HO*        G  21 -31.335  26.790 -10.383
  224    H1*    G  21           H1*        G  21 -32.682  24.526 -12.384
  225    H8     G  21           H8         G  21 -30.397  24.487 -15.419
  226    H1     G  21           H1         G  21 -29.669  19.423 -11.588
  227   1H2     G  21          1H2         G  21 -30.775  19.725  -9.696
  228   2H2     G  21          2H2         G  21 -31.691  21.179  -9.375
  229   1H5*    A  22          1H5*        A  22 -30.509  28.928  -9.801
  230   2H5*    A  22          2H5*        A  22 -29.030  29.761  -9.243
  231    H4*    A  22           H4*        A  22 -29.747  27.968  -7.685
  232    H3*    A  22           H3*        A  22 -27.167  27.467  -9.182
  233    H2*    A  22           H2*        A  22 -26.866  25.485  -7.822
  234   2HO*    A  22          2HO*        A  22 -27.652  26.303  -5.825
  235    H1*    A  22           H1*        A  22 -29.468  24.686  -8.133
  236    H8     A  22           H8         A  22 -27.877  26.352 -11.239
  237   1H6     A  22          1H6         A  22 -26.253  20.640 -12.928
  238   2H6     A  22          2H6         A  22 -26.291  22.323 -13.403
  239    H2     A  22           H2         A  22 -28.064  20.438  -8.839
  240   1H5*    C  23          1H5*        C  23 -23.120  27.578  -7.231
  241   2H5*    C  23          2H5*        C  23 -22.943  28.046  -8.945
  242    H4*    C  23           H4*        C  23 -24.030  25.495  -7.769
  243    H3*    C  23           H3*        C  23 -21.876  26.193  -9.748
  244    H2*    C  23           H2*        C  23 -22.307  24.244 -11.044
  245   2HO*    C  23          2HO*        C  23 -23.761  22.647 -10.287
  246    H1*    C  23           H1*        C  23 -24.984  24.471 -11.069
  247   1H4     C  23          1H4         C  23 -22.863  28.037 -15.946
  248   2H4     C  23          2H4         C  23 -23.047  29.464 -14.950
  249    H5     C  23           H5         C  23 -23.624  29.358 -12.571
  250    H6     C  23           H6         C  23 -24.134  27.878 -10.735
  251   1H5*    C  24          1H5*        C  24 -21.142  22.208  -9.132
  252   2H5*    C  24          2H5*        C  24 -19.420  21.899  -8.782
  253    H4*    C  24           H4*        C  24 -20.226  20.567 -10.697
  254    H3*    C  24           H3*        C  24 -18.237  22.743 -11.380
  255    H2*    C  24           H2*        C  24 -18.195  21.896 -13.622
  256   2HO*    C  24          2HO*        C  24 -19.364  19.972 -14.125
  257    H1*    C  24           H1*        C  24 -20.930  21.649 -13.777
  258   1H4     C  24          1H4         C  24 -19.475  27.490 -15.955
  259   2H4     C  24          2H4         C  24 -19.814  28.142 -14.372
  260    H5     C  24           H5         C  24 -20.306  26.731 -12.422
  261    H6     C  24           H6         C  24 -20.537  24.458 -11.662
  262   1H5*    G  25          1H5*        G  25 -16.523  19.457 -13.239
  263   2H5*    G  25          2H5*        G  25 -14.831  19.309 -12.690
  264    H4*    G  25           H4*        G  25 -14.964  19.269 -15.135
  265    H3*    G  25           H3*        G  25 -13.775  21.823 -14.020
  266    H2*    G  25           H2*        G  25 -13.256  22.454 -16.274
  267   2HO*    G  25          2HO*        G  25 -13.530  20.977 -17.976
  268    H1*    G  25           H1*        G  25 -15.715  21.659 -17.250
  269    H8     G  25           H8         G  25 -15.888  23.257 -13.762
  270    H1     G  25           H1         G  25 -16.097  27.439 -18.601
  271   1H2     G  25          1H2         G  25 -15.665  26.422 -20.511
  272   2H2     G  25          2H2         G  25 -15.345  24.702 -20.603
  273   1H5*    U  26          1H5*        U  26 -11.171  20.583 -16.988
  274   2H5*    U  26          2H5*        U  26  -9.500  20.612 -16.369
  275    H4*    U  26           H4*        U  26  -9.641  21.829 -18.477
  276    H3*    U  26           H3*        U  26  -9.343  23.679 -16.100
  277    H2*    U  26           H2*        U  26  -9.015  25.450 -17.686
  278   2HO*    U  26          2HO*        U  26  -8.906  24.926 -19.942
  279    H1*    U  26           H1*        U  26 -11.087  24.572 -19.316
  280    H3     U  26           H3         U  26 -12.991  28.265 -17.564
  281    H5     U  26           H5         U  26 -12.538  25.719 -14.222
  282    H6     U  26           H6         U  26 -11.384  24.156 -15.657
  283   1H5*    G  27          1H5*        G  27  -6.346  24.539 -18.799
  284   2H5*    G  27          2H5*        G  27  -4.801  24.969 -18.022
  285    H4*    G  27           H4*        G  27  -5.893  26.625 -19.692
  286    H3*    G  27           H3*        G  27  -4.216  27.110 -17.457
  287    H2*    G  27           H2*        G  27  -5.822  28.161 -16.131
  288   2HO*    G  27          2HO*        G  27  -4.485  29.911 -16.743
  289    H1*    G  27           H1*        G  27  -7.317  29.171 -18.566
  290    H8     G  27           H8         G  27  -8.435  26.749 -15.767
  291    H1     G  27           H1         G  27 -11.198  32.517 -15.558
  292   1H2     G  27          1H2         G  27 -10.282  33.867 -17.054
  293   2H2     G  27          2H2         G  27  -8.995  33.340 -18.117
  294   1H5*    G  28          1H5*        G  28  -3.993  31.460 -18.171
  295   2H5*    G  28          2H5*        G  28  -5.005  30.829 -19.496
  296    H4*    G  28           H4*        G  28  -4.705  32.665 -20.719
  297    H3*    G  28           H3*        G  28  -1.770  32.410 -20.044
  298    H2*    G  28           H2*        G  28  -1.408  34.686 -20.655
  299   2HO*    G  28          2HO*        G  28  -3.187  35.897 -21.571
  300    H1*    G  28           H1*        G  28  -3.634  35.647 -19.391
  301    H8     G  28           H8         G  28  -2.928  33.347 -16.747
  302    H1     G  28           H1         G  28   1.979  37.431 -17.333
  303   1H2     G  28          1H2         G  28   1.872  38.495 -19.271
  304   2H2     G  28          2H2         G  28   0.596  38.189 -20.428
  305   1H5*    U  29          1H5*        U  29  -1.505  34.469 -23.593
  306   2H5*    U  29          2H5*        U  29  -0.760  33.379 -24.793
  307    H4*    U  29           H4*        U  29   0.299  35.539 -24.956
  308    H3*    U  29           H3*        U  29   2.034  33.503 -23.538
  309    H2*    U  29           H2*        U  29   3.790  35.125 -23.473
  310   2HO*    U  29          2HO*        U  29   3.494  37.158 -24.518
  311    H1*    U  29           H1*        U  29   2.174  37.144 -22.608
  312    H3     U  29           H3         U  29   4.784  35.512 -19.168
  313    H5     U  29           H5         U  29   1.173  33.354 -19.025
  314    H6     U  29           H6         U  29   0.584  34.329 -21.160
  315   1H5*    C  30          1H5*        C  30   4.425  35.053 -26.793
  316   2H5*    C  30          2H5*        C  30   5.459  33.760 -27.459
  317    H4*    C  30           H4*        C  30   6.684  35.826 -26.686
  318    H3*    C  30           H3*        C  30   7.331  33.219 -25.286
  319    H2*    C  30           H2*        C  30   9.127  34.387 -24.204
  320   2HO*    C  30          2HO*        C  30   8.479  36.538 -25.982
  321    H1*    C  30           H1*        C  30   7.567  36.646 -23.710
  322   1H4     C  30          1H4         C  30   7.353  33.011 -18.428
  323   2H4     C  30          2H4         C  30   5.888  32.266 -19.025
  324    H5     C  30           H5         C  30   4.994  32.690 -21.268
  325    H6     C  30           H6         C  30   5.344  33.898 -23.326
  326   1H5*    C  31          1H5*        C  31  10.969  34.648 -26.768
  327   2H5*    C  31          2H5*        C  31  12.072  33.324 -27.233
  328    H4*    C  31           H4*        C  31  12.911  34.922 -25.435
  329    H3*    C  31           H3*        C  31  12.689  31.978 -24.760
  330    H2*    C  31           H2*        C  31  13.824  32.488 -22.716
  331   2HO*    C  31          2HO*        C  31  14.766  34.545 -22.400
  332    H1*    C  31           H1*        C  31  12.415  34.898 -22.357
  333   1H4     C  31          1H4         C  31   9.698  30.434 -18.640
  334   2H4     C  31          2H4         C  31   8.503  30.169 -19.889
  335    H5     C  31           H5         C  31   8.636  31.206 -22.110
  336    H6     C  31           H6         C  31   9.940  32.680 -23.520
  337   1H5*    U  32          1H5*        U  32  16.667  32.731 -23.787
  338   2H5*    U  32          2H5*        U  32  17.673  31.533 -24.646
  339    H4*    U  32           H4*        U  32  18.280  31.548 -22.303
  340    H3*    U  32           H3*        U  32  16.596  29.124 -22.981
  341    H2*    U  32           H2*        U  32  17.087  28.323 -20.781
  342   2HO*    U  32          2HO*        U  32  18.649  29.339 -19.497
  343    H1*    U  32           H1*        U  32  16.757  30.841 -19.618
  344    H3     U  32           H3         U  32  13.368  28.152 -18.127
  345    H5     U  32           H5         U  32  12.120  29.476 -21.926
  346    H6     U  32           H6         U  32  14.317  30.432 -22.240
  347   1H5*    C  33          1H5*        C  33  20.534  27.848 -21.414
  348   2H5*    C  33          2H5*        C  33  20.915  26.213 -22.022
  349    H4*    C  33           H4*        C  33  20.869  26.609 -19.458
  350    H3*    C  33           H3*        C  33  19.239  24.378 -20.695
  351    H2*    C  33           H2*        C  33  18.759  23.670 -18.474
  352   2HO*    C  33          2HO*        C  33  19.921  24.599 -16.697
  353    H1*    C  33           H1*        C  33  18.602  26.304 -17.481
  354   1H4     C  33          1H4         C  33  12.735  23.795 -17.973
  355   2H4     C  33          2H4         C  33  12.544  24.637 -19.489
  356    H5     C  33           H5         C  33  14.331  25.832 -20.567
  357    H6     C  33           H6         C  33  16.691  26.461 -20.424
  358   1H5*    C  34          1H5*        C  34  21.630  22.613 -17.649
  359   2H5*    C  34          2H5*        C  34  21.941  20.899 -18.027
  360    H4*    C  34           H4*        C  34  20.577  21.572 -15.881
  361    H3*    C  34           H3*        C  34  19.806  19.356 -17.791
  362    H2*    C  34           H2*        C  34  17.877  18.887 -16.489
  363   2HO*    C  34          2HO*        C  34  17.693  19.713 -14.346
  364    H1*    C  34           H1*        C  34  17.420  21.565 -15.711
  365   1H4     C  34          1H4         C  34  13.040  20.007 -20.118
  366   2H4     C  34          2H4         C  34  14.088  20.658 -21.360
  367    H5     C  34           H5         C  34  16.397  21.411 -20.899
  368    H6     C  34           H6         C  34  18.051  21.688 -19.183
  Start of MODEL   20
    1   1H5*    G   1          1H5*        G   1   5.382  16.781 -17.842
    2   2H5*    G   1          2H5*        G   1   6.341  17.515 -19.127
    3    H4*    G   1           H4*        G   1   7.298  15.329 -17.268
    4    H3*    G   1           H3*        G   1   7.861  18.304 -17.282
    5    H2*    G   1           H2*        G   1  10.030  17.818 -16.404
    6   2HO*    G   1          2HO*        G   1  10.549  15.774 -15.633
    7    H1*    G   1           H1*        G   1  10.441  15.655 -18.088
    8    H8     G   1           H8         G   1   8.897  17.955 -20.489
    9    H1     G   1           H1         G   1  14.628  20.127 -18.667
   10   1H2     G   1          1H2         G   1  15.335  19.039 -16.883
   11   2H2     G   1          2H2         G   1  14.390  17.778 -16.120
   12   1H5*    G   2          1H5*        G   2   8.820  17.137 -13.091
   13   2H5*    G   2          2H5*        G   2   8.278  18.499 -12.073
   14    H4*    G   2           H4*        G   2  10.702  17.861 -11.798
   15    H3*    G   2           H3*        G   2  10.063  20.654 -12.780
   16    H2*    G   2           H2*        G   2  12.400  21.159 -12.618
   17   2HO*    G   2          2HO*        G   2  13.836  19.554 -11.751
   18    H1*    G   2           H1*        G   2  13.183  18.818 -13.818
   19    H8     G   2           H8         G   2  10.063  19.693 -15.667
   20    H1     G   2           H1         G   2  14.922  23.534 -17.242
   21   1H2     G   2          1H2         G   2  16.598  23.287 -15.818
   22   2H2     G   2          2H2         G   2  16.514  22.177 -14.469
   23   1H5*    A   3          1H5*        A   3  12.741  21.413  -9.797
   24   2H5*    A   3          2H5*        A   3  12.223  22.809  -8.817
   25    H4*    A   3           H4*        A   3  14.499  22.983  -9.985
   26    H3*    A   3           H3*        A   3  12.385  25.075 -10.544
   27    H2*    A   3           H2*        A   3  14.043  26.290 -11.733
   28   2HO*    A   3          2HO*        A   3  16.247  25.713 -11.603
   29    H1*    A   3           H1*        A   3  15.153  23.946 -12.880
   30    H8     A   3           H8         A   3  11.527  23.471 -13.343
   31   1H6     A   3          1H6         A   3  11.785  27.589 -17.969
   32   2H6     A   3          2H6         A   3  10.806  26.365 -17.190
   33    H2     A   3           H2         A   3  15.624  27.815 -15.660
   34   1H5*    G   4          1H5*        G   4  15.460  27.849  -8.796
   35   2H5*    G   4          2H5*        G   4  14.405  28.998  -7.929
   36    H4*    G   4           H4*        G   4  15.929  29.993  -9.704
   37    H3*    G   4           H3*        G   4  12.943  30.360 -10.066
   38    H2*    G   4           H2*        G   4  13.503  31.895 -11.821
   39   2HO*    G   4          2HO*        G   4  15.675  32.548 -12.123
   40    H1*    G   4           H1*        G   4  15.603  30.269 -12.752
   41    H8     G   4           H8         G   4  12.664  28.016 -12.118
   42    H1     G   4           H1         G   4  12.013  31.540 -17.426
   43   1H2     G   4          1H2         G   4  13.564  33.121 -17.474
   44   2H2     G   4          2H2         G   4  14.747  33.302 -16.204
   45   1H5*    G   5          1H5*        G   5  14.712  34.583  -9.711
   46   2H5*    G   5          2H5*        G   5  13.317  35.562  -9.182
   47    H4*    G   5           H4*        G   5  14.550  36.134 -11.429
   48    H3*    G   5           H3*        G   5  11.533  35.894 -11.299
   49    H2*    G   5           H2*        G   5  11.521  36.755 -13.535
   50   2HO*    G   5          2HO*        G   5  13.414  37.617 -14.454
   51    H1*    G   5           H1*        G   5  13.785  35.257 -14.272
   52    H8     G   5           H8         G   5  11.537  32.904 -12.408
   53    H1     G   5           H1         G   5   9.348  34.190 -18.283
   54   1H2     G   5          1H2         G   5  10.437  35.903 -19.158
   55   2H2     G   5          2H2         G   5  11.720  36.728 -18.297
   56   1H5*    A   6          1H5*        A   6  12.536  39.826 -13.056
   57   2H5*    A   6          2H5*        A   6  11.423  40.969 -12.261
   58    H4*    A   6           H4*        A   6  11.426  41.224 -14.719
   59    H3*    A   6           H3*        A   6   8.849  40.098 -13.589
   60    H2*    A   6           H2*        A   6   7.917  40.387 -15.785
   61   2HO*    A   6          2HO*        A   6   9.188  41.415 -17.418
   62    H1*    A   6           H1*        A   6  10.152  39.354 -17.037
   63    H8     A   6           H8         A   6   9.635  37.271 -13.936
   64   1H6     A   6          1H6         A   6   5.240  34.222 -17.069
   65   2H6     A   6          2H6         A   6   6.223  34.238 -15.620
   66    H2     A   6           H2         A   6   6.417  37.839 -19.441
   67   1H5*    C   7          1H5*        C   7   8.033  43.659 -15.980
   68   2H5*    C   7          2H5*        C   7   6.700  44.561 -15.217
   69    H4*    C   7           H4*        C   7   6.427  44.030 -17.685
   70    H3*    C   7           H3*        C   7   4.318  43.050 -15.735
   71    H2*    C   7           H2*        C   7   3.048  42.313 -17.610
   72   2HO*    C   7          2HO*        C   7   3.692  42.867 -19.734
   73    H1*    C   7           H1*        C   7   5.227  41.276 -18.958
   74   1H4     C   7          1H4         C   7   2.559  36.440 -15.705
   75   2H4     C   7          2H4         C   7   3.714  36.703 -14.419
   76    H5     C   7           H5         C   7   5.263  38.601 -14.382
   77    H6     C   7           H6         C   7   5.993  40.565 -15.581
   78   1H5*    A   8          1H5*        A   8  -0.208  45.533 -16.756
   79   2H5*    A   8          2H5*        A   8   0.306  44.068 -15.876
   80    H4*    A   8           H4*        A   8  -0.475  44.331 -18.785
   81    H3*    A   8           H3*        A   8  -1.590  42.796 -16.434
   82    H2*    A   8           H2*        A   8  -2.126  40.946 -17.841
   83   2HO*    A   8          2HO*        A   8  -1.747  41.130 -20.128
   84    H1*    A   8           H1*        A   8   0.164  40.857 -19.152
   85    H8     A   8           H8         A   8   1.708  41.934 -16.104
   86   1H6     A   8          1H6         A   8   0.311  36.521 -13.432
   87   2H6     A   8          2H6         A   8   1.281  37.970 -13.304
   88    H2     A   8           H2         A   8  -2.108  36.932 -17.193
   89   1H5*    U   9          1H5*        U   9  -5.750  42.790 -17.373
   90   2H5*    U   9          2H5*        U   9  -6.419  42.840 -15.721
   91    H4*    U   9           H4*        U   9  -5.903  40.678 -15.303
   92    H3*    U   9           H3*        U   9  -3.418  41.384 -16.705
   93    H2*    U   9           H2*        U   9  -3.384  39.749 -18.374
   94   2HO*    U   9          2HO*        U   9  -3.040  38.072 -16.725
   95    H1*    U   9           H1*        U   9  -5.864  38.766 -18.452
   96    H3     U   9           H3         U   9  -6.304  40.832 -22.486
   97    H5     U   9           H5         U   9  -3.672  43.293 -20.296
   98    H6     U   9           H6         U   9  -4.052  41.866 -18.399
   99   1H5*    C  10          1H5*        C  10  -7.647  38.568 -15.139
  100   2H5*    C  10          2H5*        C  10  -6.831  38.083 -13.639
  101    H4*    C  10           H4*        C  10  -7.224  35.965 -14.181
  102    H3*    C  10           H3*        C  10  -4.890  36.340 -15.504
  103    H2*    C  10           H2*        C  10  -5.845  37.173 -17.513
  104   2HO*    C  10          2HO*        C  10  -5.879  34.372 -17.963
  105    H1*    C  10           H1*        C  10  -7.980  35.066 -17.515
  106   1H4     C  10          1H4         C  10 -10.631  39.100 -21.669
  107   2H4     C  10          2H4         C  10 -10.044  40.491 -20.787
  108    H5     C  10           H5         C  10  -8.676  40.305 -18.752
  109    H6     C  10           H6         C  10  -7.641  38.745 -17.227
  110   1H5*    C  11          1H5*        C  11  -6.241  32.681 -12.039
  111   2H5*    C  11          2H5*        C  11  -7.550  33.393 -13.024
  112    H4*    C  11           H4*        C  11  -7.825  33.612 -10.519
  113    H3*    C  11           H3*        C  11  -8.691  35.448 -12.339
  114    H2*    C  11           H2*        C  11  -6.580  36.683 -12.268
  115   2HO*    C  11          2HO*        C  11  -8.142  37.973 -10.281
  116    H1*    C  11           H1*        C  11  -6.850  36.459  -9.257
  117   1H4     C  11          1H4         C  11  -1.191  39.389  -9.186
  118   2H4     C  11          2H4         C  11  -0.631  38.470 -10.563
  119    H5     C  11           H5         C  11  -2.038  36.840 -11.737
  120    H6     C  11           H6         C  11  -4.217  35.808 -11.797
  121   1H5*    C  12          1H5*        C  12 -11.292  36.842 -13.235
  122   2H5*    C  12          2H5*        C  12  -9.949  37.054 -12.088
  123    H4*    C  12           H4*        C  12 -12.249  37.114 -10.510
  124    H3*    C  12           H3*        C  12 -13.371  37.725 -12.887
  125    H2*    C  12           H2*        C  12 -11.816  39.400 -13.519
  126   2HO*    C  12          2HO*        C  12 -13.631  40.953 -11.998
  127    H1*    C  12           H1*        C  12 -11.895  40.603 -10.757
  128   1H4     C  12          1H4         C  12  -6.334  43.203 -12.474
  129   2H4     C  12          2H4         C  12  -6.244  42.192 -13.896
  130    H5     C  12           H5         C  12  -7.927  40.476 -14.418
  131    H6     C  12           H6         C  12  -9.980  39.433 -13.652
  132   1H5*    U  13          1H5*        U  13 -15.079  39.489 -13.687
  133   2H5*    U  13          2H5*        U  13 -15.641  40.311 -12.215
  134    H4*    U  13           H4*        U  13 -17.356  39.464 -14.561
  135    H3*    U  13           H3*        U  13 -15.947  41.712 -14.662
  136    H2*    U  13           H2*        U  13 -16.421  42.280 -12.372
  137   2HO*    U  13          2HO*        U  13 -18.244  43.733 -14.001
  138    H1*    U  13           H1*        U  13 -19.357  41.916 -12.990
  139    H3     U  13           H3         U  13 -20.525  42.889  -8.763
  140    H5     U  13           H5         U  13 -17.133  40.455  -8.281
  141    H6     U  13           H6         U  13 -16.885  40.407 -10.682
  142   1H5*    C  14          1H5*        C  14 -14.867  42.178 -16.064
  143   2H5*    C  14          2H5*        C  14 -14.935  43.296 -17.448
  144    H4*    C  14           H4*        C  14 -13.667  41.925 -18.658
  145    H3*    C  14           H3*        C  14 -15.505  39.648 -17.866
  146    H2*    C  14           H2*        C  14 -13.954  38.262 -19.084
  147   2HO*    C  14          2HO*        C  14 -12.155  39.269 -20.115
  148    H1*    C  14           H1*        C  14 -11.811  39.449 -17.804
  149   1H4     C  14          1H4         C  14 -13.291  34.469 -14.100
  150   2H4     C  14          2H4         C  14 -14.728  35.271 -13.508
  151    H5     C  14           H5         C  14 -15.471  37.464 -14.318
  152    H6     C  14           H6         C  14 -14.982  39.272 -15.854
  153   1H5*    A  15          1H5*        A  15 -14.888  39.083 -22.280
  154   2H5*    A  15          2H5*        A  15 -16.258  38.070 -22.816
  155    H4*    A  15           H4*        A  15 -13.794  37.171 -22.997
  156    H3*    A  15           H3*        A  15 -16.036  35.518 -21.808
  157    H2*    A  15           H2*        A  15 -14.481  33.680 -21.748
  158   2HO*    A  15          2HO*        A  15 -12.410  33.922 -22.727
  159    H1*    A  15           H1*        A  15 -12.399  35.305 -20.823
  160    H8     A  15           H8         A  15 -15.254  36.566 -18.897
  161   1H6     A  15          1H6         A  15 -15.039  31.462 -15.390
  162   2H6     A  15          2H6         A  15 -15.723  33.065 -15.547
  163    H2     A  15           H2         A  15 -12.420  30.838 -18.979
  164   1H5*    C  16          1H5*        C  16 -14.583  33.075 -24.870
  165   2H5*    C  16          2H5*        C  16 -15.931  32.391 -25.820
  166    H4*    C  16           H4*        C  16 -14.378  30.655 -24.970
  167    H3*    C  16           H3*        C  16 -17.153  30.617 -23.756
  168    H2*    C  16           H2*        C  16 -16.550  28.555 -22.696
  169   2HO*    C  16          2HO*        C  16 -14.545  27.553 -23.215
  170    H1*    C  16           H1*        C  16 -14.025  29.476 -21.979
  171   1H4     C  16          1H4         C  16 -17.577  30.632 -16.832
  172   2H4     C  16          2H4         C  16 -18.460  31.897 -17.658
  173    H5     C  16           H5         C  16 -18.096  32.444 -20.020
  174    H6     C  16           H6         C  16 -16.814  31.881 -22.000
  175   1H5*    G  17          1H5*        G  17 -16.889  26.595 -25.830
  176   2H5*    G  17          2H5*        G  17 -18.584  26.140 -26.144
  177    H4*    G  17           H4*        G  17 -17.138  24.607 -24.635
  178    H3*    G  17           H3*        G  17 -19.843  25.617 -23.721
  179    H2*    G  17           H2*        G  17 -19.617  24.180 -21.813
  180   2HO*    G  17          2HO*        G  17 -17.809  22.740 -21.698
  181    H1*    G  17           H1*        G  17 -16.970  24.865 -21.396
  182    H8     G  17           H8         G  17 -18.811  28.011 -22.435
  183    H1     G  17           H1         G  17 -19.860  26.379 -16.353
  184   1H2     G  17          1H2         G  17 -19.108  24.334 -15.954
  185   2H2     G  17          2H2         G  17 -18.329  23.377 -17.193
  186   1H5*    G  18          1H5*        G  18 -19.975  21.363 -23.195
  187   2H5*    G  18          2H5*        G  18 -21.526  20.788 -23.865
  188    H4*    G  18           H4*        G  18 -21.171  19.955 -21.581
  189    H3*    G  18           H3*        G  18 -23.347  22.048 -21.806
  190    H2*    G  18           H2*        G  18 -23.881  21.593 -19.520
  191   2HO*    G  18          2HO*        G  18 -22.865  19.843 -18.432
  192    H1*    G  18           H1*        G  18 -21.226  21.483 -18.729
  193    H8     G  18           H8         G  18 -21.744  24.273 -21.271
  194    H1     G  18           H1         G  18 -23.472  25.894 -15.329
  195   1H2     G  18          1H2         G  18 -23.486  24.119 -14.014
  196   2H2     G  18          2H2         G  18 -23.053  22.526 -14.597
  197   1H5*    G  19          1H5*        G  19 -25.111  19.090 -19.682
  198   2H5*    G  19          2H5*        G  19 -26.731  18.712 -20.323
  199    H4*    G  19           H4*        G  19 -26.749  19.252 -17.894
  200    H3*    G  19           H3*        G  19 -28.134  21.277 -19.676
  201    H2*    G  19           H2*        G  19 -28.906  22.340 -17.684
  202   2HO*    G  19          2HO*        G  19 -28.917  21.302 -15.731
  203    H1*    G  19           H1*        G  19 -26.474  21.899 -16.318
  204    H8     G  19           H8         G  19 -25.795  23.214 -19.820
  205    H1     G  19           H1         G  19 -27.416  27.807 -15.666
  206   1H2     G  19          1H2         G  19 -28.153  26.920 -13.786
  207   2H2     G  19          2H2         G  19 -28.247  25.191 -13.537
  208   1H5*    U  20          1H5*        U  20 -31.147  22.266 -19.340
  209   2H5*    U  20          2H5*        U  20 -31.106  21.533 -17.715
  210    H4*    U  20           H4*        U  20 -33.571  21.967 -19.424
  211    H3*    U  20           H3*        U  20 -32.524  23.417 -16.990
  212    H2*    U  20           H2*        U  20 -34.761  23.732 -16.225
  213   2HO*    U  20          2HO*        U  20 -35.727  24.326 -18.212
  214    H1*    U  20           H1*        U  20 -35.647  21.198 -17.029
  215    H3     U  20           H3         U  20 -35.307  22.158 -12.366
  216    H5     U  20           H5         U  20 -32.225  19.521 -13.503
  217    H6     U  20           H6         U  20 -32.770  19.991 -15.826
  218   1H5*    G  21          1H5*        G  21 -32.951  27.899 -16.466
  219   2H5*    G  21          2H5*        G  21 -31.216  27.574 -16.218
  220    H4*    G  21           H4*        G  21 -33.407  27.345 -14.351
  221    H3*    G  21           H3*        G  21 -30.423  26.928 -14.137
  222    H2*    G  21           H2*        G  21 -30.750  26.006 -11.970
  223   2HO*    G  21          2HO*        G  21 -32.229  26.979 -10.784
  224    H1*    G  21           H1*        G  21 -33.162  24.727 -12.642
  225    H8     G  21           H8         G  21 -30.581  24.064 -15.311
  226    H1     G  21           H1         G  21 -29.925  20.306 -10.181
  227   1H2     G  21          1H2         G  21 -31.213  21.025  -8.532
  228   2H2     G  21          2H2         G  21 -32.236  22.432  -8.696
  229   1H5*    A  22          1H5*        A  22 -31.617  29.383 -10.771
  230   2H5*    A  22          2H5*        A  22 -30.329  30.481 -10.200
  231    H4*    A  22           H4*        A  22 -31.114  28.924  -8.430
  232    H3*    A  22           H3*        A  22 -28.283  28.533  -9.418
  233    H2*    A  22           H2*        A  22 -27.981  26.860  -7.715
  234   2HO*    A  22          2HO*        A  22 -29.107  27.902  -6.004
  235    H1*    A  22           H1*        A  22 -30.459  25.712  -8.145
  236    H8     A  22           H8         A  22 -28.596  26.855 -11.325
  237   1H6     A  22          1H6         A  22 -26.217  21.157 -11.452
  238   2H6     A  22          2H6         A  22 -26.347  22.678 -12.305
  239    H2     A  22           H2         A  22 -28.563  21.624  -7.667
  240   1H5*    C  23          1H5*        C  23 -24.595  29.696  -7.168
  241   2H5*    C  23          2H5*        C  23 -24.303  29.844  -8.922
  242    H4*    C  23           H4*        C  23 -25.115  27.432  -7.319
  243    H3*    C  23           H3*        C  23 -22.965  28.043  -9.342
  244    H2*    C  23           H2*        C  23 -23.004  25.797 -10.139
  245   2HO*    C  23          2HO*        C  23 -24.230  24.205  -9.068
  246    H1*    C  23           H1*        C  23 -25.683  25.593 -10.296
  247   1H4     C  23          1H4         C  23 -23.814  28.147 -15.853
  248   2H4     C  23          2H4         C  23 -24.171  29.738 -15.226
  249    H5     C  23           H5         C  23 -24.804  30.137 -12.897
  250    H6     C  23           H6         C  23 -25.225  29.085 -10.763
  251   1H5*    C  24          1H5*        C  24 -21.750  24.444  -7.829
  252   2H5*    C  24          2H5*        C  24 -20.016  24.443  -7.412
  253    H4*    C  24           H4*        C  24 -20.614  22.632  -8.996
  254    H3*    C  24           H3*        C  24 -18.830  24.815 -10.101
  255    H2*    C  24           H2*        C  24 -18.607  23.511 -12.101
  256   2HO*    C  24          2HO*        C  24 -19.559  21.407 -12.187
  257    H1*    C  24           H1*        C  24 -21.292  22.932 -12.248
  258   1H4     C  24          1H4         C  24 -20.357  28.278 -15.645
  259   2H4     C  24          2H4         C  24 -20.843  29.217 -14.255
  260    H5     C  24           H5         C  24 -21.277  28.221 -12.054
  261    H6     C  24           H6         C  24 -21.301  26.162 -10.812
  262   1H5*    G  25          1H5*        G  25 -16.640  21.410 -11.174
  263   2H5*    G  25          2H5*        G  25 -14.989  21.615 -10.527
  264    H4*    G  25           H4*        G  25 -14.950  21.041 -12.916
  265    H3*    G  25           H3*        G  25 -14.113  23.888 -12.302
  266    H2*    G  25           H2*        G  25 -13.517  24.120 -14.611
  267   2HO*    G  25          2HO*        G  25 -13.543  22.304 -15.992
  268    H1*    G  25           H1*        G  25 -15.800  22.861 -15.517
  269    H8     G  25           H8         G  25 -16.497  25.045 -12.454
  270    H1     G  25           H1         G  25 -16.510  28.241 -17.996
  271   1H2     G  25          1H2         G  25 -15.761  26.952 -19.625
  272   2H2     G  25          2H2         G  25 -15.274  25.293 -19.352
  273   1H5*    U  26          1H5*        U  26 -11.145  22.422 -14.787
  274   2H5*    U  26          2H5*        U  26  -9.541  22.794 -14.102
  275    H4*    U  26           H4*        U  26  -9.700  23.548 -16.430
  276    H3*    U  26           H3*        U  26  -9.703  25.824 -14.433
  277    H2*    U  26           H2*        U  26  -9.504  27.305 -16.299
  278   2HO*    U  26          2HO*        U  26  -9.179  26.436 -18.414
  279    H1*    U  26           H1*        U  26 -11.355  25.890 -17.832
  280    H3     U  26           H3         U  26 -13.639  29.687 -16.931
  281    H5     U  26           H5         U  26 -13.386  27.769 -13.184
  282    H6     U  26           H6         U  26 -11.970  26.096 -14.206
  283   1H5*    G  27          1H5*        G  27  -6.589  26.407 -17.188
  284   2H5*    G  27          2H5*        G  27  -5.154  27.175 -16.457
  285    H4*    G  27           H4*        G  27  -6.290  28.286 -18.503
  286    H3*    G  27           H3*        G  27  -4.895  29.450 -16.299
  287    H2*    G  27           H2*        G  27  -6.632  30.696 -15.444
  288   2HO*    G  27          2HO*        G  27  -5.525  32.374 -16.455
  289    H1*    G  27           H1*        G  27  -8.151  30.799 -18.048
  290    H8     G  27           H8         G  27  -8.971  28.911 -14.773
  291    H1     G  27           H1         G  27 -12.505  34.141 -15.792
  292   1H2     G  27          1H2         G  27 -11.761  35.227 -17.555
  293   2H2     G  27          2H2         G  27 -10.401  34.662 -18.491
  294   1H5*    G  28          1H5*        G  28  -4.978  31.012 -20.614
  295   2H5*    G  28          2H5*        G  28  -3.894  30.146 -21.736
  296    H4*    G  28           H4*        G  28  -4.191  32.444 -22.473
  297    H3*    G  28           H3*        G  28  -1.453  31.896 -21.298
  298    H2*    G  28           H2*        G  28  -0.812  34.128 -21.905
  299   2HO*    G  28          2HO*        G  28  -2.310  35.452 -23.064
  300    H1*    G  28           H1*        G  28  -3.064  35.269 -20.883
  301    H8     G  28           H8         G  28  -2.629  32.503 -18.457
  302    H1     G  28           H1         G  28   1.948  36.932 -17.791
  303   1H2     G  28          1H2         G  28   1.948  38.312 -19.524
  304   2H2     G  28          2H2         G  28   0.821  38.136 -20.850
  305   1H5*    U  29          1H5*        U  29  -0.568  33.810 -24.970
  306   2H5*    U  29          2H5*        U  29   0.634  32.816 -25.838
  307    H4*    U  29           H4*        U  29   1.319  35.189 -25.664
  308    H3*    U  29           H3*        U  29   3.002  33.249 -24.058
  309    H2*    U  29           H2*        U  29   4.488  35.078 -23.621
  310   2HO*    U  29          2HO*        U  29   4.151  37.097 -24.641
  311    H1*    U  29           H1*        U  29   2.442  36.825 -23.044
  312    H3     U  29           H3         U  29   4.824  35.435 -19.276
  313    H5     U  29           H5         U  29   1.463  32.911 -19.624
  314    H6     U  29           H6         U  29   1.073  33.846 -21.812
  315   1H5*    C  30          1H5*        C  30   5.635  35.554 -26.575
  316   2H5*    C  30          2H5*        C  30   6.973  34.519 -27.142
  317    H4*    C  30           H4*        C  30   7.658  36.658 -25.971
  318    H3*    C  30           H3*        C  30   8.545  34.027 -24.758
  319    H2*    C  30           H2*        C  30   9.909  35.317 -23.259
  320   2HO*    C  30          2HO*        C  30  10.078  37.587 -23.537
  321    H1*    C  30           H1*        C  30   7.899  37.159 -22.761
  322   1H4     C  30          1H4         C  30   7.568  32.644 -18.209
  323   2H4     C  30          2H4         C  30   6.260  31.897 -19.098
  324    H5     C  30           H5         C  30   5.576  32.638 -21.337
  325    H6     C  30           H6         C  30   6.033  34.209 -23.103
  326   1H5*    C  31          1H5*        C  31  11.979  36.286 -25.186
  327   2H5*    C  31          2H5*        C  31  13.322  35.315 -25.845
  328    H4*    C  31           H4*        C  31  13.912  36.489 -23.735
  329    H3*    C  31           H3*        C  31  13.805  33.466 -23.561
  330    H2*    C  31           H2*        C  31  14.747  33.677 -21.367
  331   2HO*    C  31          2HO*        C  31  15.423  35.733 -20.609
  332    H1*    C  31           H1*        C  31  13.072  35.766 -20.671
  333   1H4     C  31          1H4         C  31  10.353  30.344 -18.627
  334   2H4     C  31          2H4         C  31   9.308  30.381 -20.029
  335    H5     C  31           H5         C  31   9.578  31.995 -21.857
  336    H6     C  31           H6         C  31  10.910  33.853 -22.662
  337   1H5*    U  32          1H5*        U  32  17.988  34.387 -22.489
  338   2H5*    U  32          2H5*        U  32  18.983  33.046 -23.120
  339    H4*    U  32           H4*        U  32  19.179  33.481 -20.631
  340    H3*    U  32           H3*        U  32  18.176  30.763 -21.516
  341    H2*    U  32           H2*        U  32  18.335  30.089 -19.227
  342   2HO*    U  32          2HO*        U  32  19.310  31.501 -17.687
  343    H1*    U  32           H1*        U  32  17.305  32.500 -18.269
  344    H3     U  32           H3         U  32  14.356  29.059 -17.425
  345    H5     U  32           H5         U  32  13.450  30.410 -21.308
  346    H6     U  32           H6         U  32  15.463  31.761 -21.237
  347   1H5*    C  33          1H5*        C  33  21.405  29.989 -18.815
  348   2H5*    C  33          2H5*        C  33  22.420  28.723 -19.555
  349    H4*    C  33           H4*        C  33  21.700  28.244 -17.190
  350    H3*    C  33           H3*        C  33  20.698  26.344 -19.320
  351    H2*    C  33           H2*        C  33  19.879  24.976 -17.550
  352   2HO*    C  33          2HO*        C  33  21.482  26.646 -15.861
  353    H1*    C  33           H1*        C  33  19.097  27.203 -15.980
  354   1H4     C  33          1H4         C  33  13.976  24.495 -18.814
  355   2H4     C  33          2H4         C  33  13.843  25.972 -19.736
  356    H5     C  33           H5         C  33  15.528  27.713 -19.697
  357    H6     C  33           H6         C  33  17.680  28.376 -18.779
  358   1H5*    C  34          1H5*        C  34  22.367  23.457 -16.761
  359   2H5*    C  34          2H5*        C  34  23.559  22.604 -17.779
  360    H4*    C  34           H4*        C  34  22.202  20.911 -16.791
  361    H3*    C  34           H3*        C  34  21.007  21.441 -19.530
  362    H2*    C  34           H2*        C  34  19.810  19.387 -19.143
  363   2HO*    C  34          2HO*        C  34  21.569  18.342 -17.922
  364    H1*    C  34           H1*        C  34  19.067  20.271 -16.632
  365   1H4     C  34          1H4         C  34  14.522  22.435 -20.580
  366   2H4     C  34          2H4         C  34  15.527  23.795 -21.031
  367    H5     C  34           H5         C  34  17.864  24.055 -20.232
  368    H6     C  34           H6         C  34  19.580  23.063 -18.892


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