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
22892 2jrq 15342 cing 1-original 5 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    C  27          1H5*        C  27  44.080  13.626  -7.755
    2   2H5*    C  27          2H5*        C  27  43.973  12.090  -8.636
    3    H4*    C  27           H4*        C  27  45.073  13.546 -10.084
    4    H3*    C  27           H3*        C  27  47.029  11.693  -8.756
    5    H2*    C  27           H2*        C  27  48.809  12.769  -9.974
    6   2HO*    C  27          2HO*        C  27  48.350  13.563 -11.889
    7    H1*    C  27           H1*        C  27  47.923  15.369  -9.504
    8   1H4     C  27          H42         C  27  52.033  14.092  -4.809
    9   2H4     C  27          H41         C  27  50.701  13.540  -3.816
   10    H5     C  27           H5         C  27  48.445  13.312  -4.647
   11    H6     C  27           H6         C  27  46.997  13.585  -6.593
   12    H5T    C  27           H5T        C  27  44.821  11.365  -6.839
   13   1H5*    C  28          1H5*        C  28  48.023  11.755 -12.625
   14   2H5*    C  28          2H5*        C  28  48.054  10.147 -13.376
   15    H4*    C  28           H4*        C  28  50.063  11.149 -13.999
   16    H3*    C  28           H3*        C  28  50.555   9.228 -11.730
   17    H2*    C  28           H2*        C  28  52.898   9.780 -11.891
   18   2HO*    C  28          2HO*        C  28  53.664  10.366 -13.783
   19    H1*    C  28           H1*        C  28  52.481  12.531 -12.097
   20   1H4     C  28          H42         C  28  53.361  11.394  -5.900
   21   2H4     C  28          H41         C  28  51.622  11.232  -5.706
   22    H5     C  28           H5         C  28  50.093  11.208  -7.559
   23    H6     C  28           H6         C  28  49.889  11.392  -9.982
   24   1H5*    U  29          1H5*        U  29  53.375   8.566 -14.595
   25   2H5*    U  29          2H5*        U  29  53.512   6.854 -15.033
   26    H4*    U  29           H4*        U  29  55.697   7.679 -14.648
   27    H3*    U  29           H3*        U  29  54.768   5.889 -12.408
   28    H2*    U  29           H2*        U  29  56.923   6.208 -11.379
   29   2HO*    U  29          2HO*        U  29  58.617   6.727 -12.550
   30    H1*    U  29           H1*        U  29  57.001   8.962 -11.814
   31    H3     U  29           H3         U  29  56.301   8.043  -7.358
   32    H5     U  29           H5         U  29  52.505   8.371  -9.138
   33    H6     U  29           H6         U  29  53.595   8.329 -11.278
   34   1H5*    C  30          1H5*        C  30  58.637   4.982 -13.348
   35   2H5*    C  30          2H5*        C  30  58.849   3.242 -13.621
   36    H4*    C  30           H4*        C  30  60.564   4.021 -12.145
   37    H3*    C  30           H3*        C  30  58.529   2.235 -10.839
   38    H2*    C  30           H2*        C  30  59.748   2.453  -8.770
   39   2HO*    C  30          2HO*        C  30  61.837   2.861  -8.813
   40    H1*    C  30           H1*        C  30  60.130   5.210  -8.975
   41   1H4     C  30          H42         C  30  54.821   4.309  -5.571
   42   2H4     C  30          H41         C  30  53.870   4.425  -7.034
   43    H5     C  30           H5         C  30  54.868   4.580  -9.229
   44    H6     C  30           H6         C  30  56.971   4.682 -10.459
   45   1H5*    C  31          1H5*        C  31  62.150   1.105  -9.555
   46   2H5*    C  31          2H5*        C  31  62.499  -0.596  -9.920
   47    H4*    C  31           H4*        C  31  63.118  -0.314  -7.691
   48    H3*    C  31           H3*        C  31  60.442  -1.672  -7.875
   49    H2*    C  31           H2*        C  31  60.352  -1.741  -5.472
   50   2HO*    C  31          2HO*        C  31  62.206  -1.152  -4.241
   51    H1*    C  31           H1*        C  31  61.342   0.861  -5.087
   52   1H4     C  31          H42         C  31  55.003   1.272  -4.822
   53   2H4     C  31          H41         C  31  54.939   1.518  -6.555
   54    H5     C  31           H5         C  31  56.909   1.384  -7.965
   55    H6     C  31           H6         C  31  59.305   0.935  -7.999
   56   1H5*    C  32          1H5*        C  32  62.101  -3.513  -4.672
   57   2H5*    C  32          2H5*        C  32  62.270  -5.219  -5.127
   58    H4*    C  32           H4*        C  32  61.213  -4.844  -2.917
   59    H3*    C  32           H3*        C  32  59.822  -6.433  -5.040
   60    H2*    C  32           H2*        C  32  57.904  -6.698  -3.610
   61   2HO*    C  32          2HO*        C  32  58.903  -5.198  -1.503
   62    H1*    C  32           H1*        C  32  57.782  -4.051  -2.777
   63   1H4     C  32          H42         C  32  54.145  -4.100  -7.976
   64   2H4     C  32          H41         C  32  55.562  -3.953  -8.993
   65    H5     C  32           H5         C  32  57.820  -4.016  -8.120
   66    H6     C  32           H6         C  32  59.172  -4.236  -6.102
   67   1H5*    U  33          1H5*        U  33  59.658  -9.083  -0.925
   68   2H5*    U  33          2H5*        U  33  60.264 -10.521  -1.772
   69    H4*    U  33           H4*        U  33  58.347 -11.015  -0.338
   70    H3*    U  33           H3*        U  33  58.120 -11.514  -3.283
   71    H2*    U  33           H2*        U  33  55.835 -12.220  -2.999
   72   2HO*    U  33          2HO*        U  33  55.799 -13.360  -1.126
   73    H1*    U  33           H1*        U  33  55.084 -10.129  -1.333
   74    H3     U  33           H3         U  33  53.276  -9.009  -5.331
   75    H5     U  33           H5         U  33  57.321  -7.929  -5.658
   76    H6     U  33           H6         U  33  57.706  -9.027  -3.550
   77   1H5*  CM0  34          1H5*      CM0  34  56.974 -15.900  -2.649
   78   2H5*  CM0  34          2H5*      CM0  34  58.455 -16.472  -3.441
   79    H4*  CM0  34           H4*      CM0  34  57.442 -16.581  -5.540
   80    H3*  CM0  34           H3*      CM0  34  55.325 -14.744  -4.483
   81    H1*  CM0  34           H1*      CM0  34  54.491 -18.443  -5.268
   82    H2*  CM0  34           H2*      CM0  34  53.672 -15.844  -5.844
   83    H6   CM0  34           H6       CM0  34  55.243 -17.361  -2.184
   84    H3   CM0  34           H3       CM0  34  50.581 -16.953  -3.118
   85   1H7C  CM0  34          H7        CM0  34  55.384 -18.527   0.157
   86   2H7C  CM0  34          H8        CM0  34  53.770 -19.302   0.166
   87    HA   CM0  34          2HO*      CM0  34  54.686 -17.739  -7.147
   88   1H5*    A  35          1H5*        A  35  53.765 -12.296  -7.602
   89   2H5*    A  35          2H5*        A  35  53.444 -11.146  -6.289
   90    H4*    A  35           H4*        A  35  51.876 -13.387  -7.235
   91    H3*    A  35           H3*        A  35  51.195 -10.867  -6.553
   92    H2*    A  35           H2*        A  35  51.612 -11.074  -4.177
   93   2HO*    A  35          2HO*        A  35  49.240 -12.255  -3.694
   94    H1*    A  35           H1*        A  35  50.352 -13.864  -4.307
   95    H8     A  35           H8         A  35  53.887 -13.454  -3.194
   96   1H6     A  35          H62         A  35  51.821 -13.888   2.627
   97   2H6     A  35          H61         A  35  53.242 -13.871   1.606
   98    H2     A  35           H2         A  35  48.274 -13.433  -0.080
   99   1H5*    C  36          1H5*        C  36  47.533 -11.999  -4.479
  100   2H5*    C  36          2H5*        C  36  46.423 -11.834  -5.853
  101    H4*    C  36           H4*        C  36  45.260 -10.239  -4.853
  102    H3*    C  36           H3*        C  36  47.881  -8.877  -4.334
  103    H2*    C  36           H2*        C  36  46.852  -7.568  -2.595
  104   2HO*    C  36          2HO*        C  36  44.346  -8.588  -2.617
  105    H1*    C  36           H1*        C  36  45.445  -9.682  -1.436
  106   1H4     C  36          H42         C  36  50.865  -9.704   1.841
  107   2H4     C  36          H41         C  36  51.724 -10.413   0.493
  108    H5     C  36           H5         C  36  50.691 -10.812  -1.662
  109    H6     C  36           H6         C  36  48.630 -10.615  -2.952
  110   1H5*    A  37          1H5*        A  37  44.944  -5.790  -3.869
  111   2H5*    A  37          2H5*        A  37  45.811  -4.295  -4.272
  112    H4*    A  37           H4*        A  37  45.041  -4.702  -1.846
  113    H3*    A  37           H3*        A  37  47.679  -3.572  -2.691
  114    H2*    A  37           H2*        A  37  48.447  -3.570  -0.411
  115   2HO*    A  37          2HO*        A  37  45.830  -3.364   0.084
  116    H1*    A  37           H1*        A  37  47.549  -6.118   0.222
  117    H8     A  37           H8         A  37  48.585  -6.200  -3.379
  118   1H6     A  37          H62         A  37  54.359  -7.197  -1.377
  119   2H6     A  37          H61         A  37  53.309  -7.175  -2.776
  120    H2     A  37           H2         A  37  51.832  -6.085   2.158
  121   1H5*    A  38          1H5*        A  38  46.016  -1.045   0.722
  122   2H5*    A  38          2H5*        A  38  46.841   0.520   0.576
  123    H4*    A  38           H4*        A  38  47.126  -0.868   2.729
  124    H3*    A  38           H3*        A  38  49.291   0.610   1.288
  125    H2*    A  38           H2*        A  38  50.945  -0.282   2.793
  126   2HO*    A  38          2HO*        A  38  50.367  -0.801   4.775
  127    H1*    A  38           H1*        A  38  50.035  -2.900   2.733
  128    H8     A  38           H8         A  38  49.423  -1.413  -0.662
  129   1H6     A  38          H62         A  38  55.247  -2.997  -2.046
  130   2H6     A  38          H61         A  38  53.730  -2.409  -2.687
  131    H2     A  38           H2         A  38  54.654  -3.584   2.359
  132   1H5*    G  39          1H5*        G  39  50.536   1.141   4.670
  133   2H5*    G  39          2H5*        G  39  50.897   2.816   5.135
  134    H4*    G  39           H4*        G  39  52.896   1.530   5.305
  135    H3*    G  39           H3*        G  39  52.905   3.458   2.992
  136    H2*    G  39           H2*        G  39  55.162   2.738   2.510
  137   2HO*    G  39          2HO*        G  39  54.907   1.410   5.023
  138    H1*    G  39           H1*        G  39  54.603   0.016   2.787
  139    H8     G  39           H8         G  39  51.546   1.330   1.220
  140    H1     G  39           H1         G  39  56.444   0.916  -2.903
  141   1H2     G  39          H22         G  39  58.327   0.625  -1.836
  142   2H2     G  39          H21         G  39  58.391   0.497  -0.087
  143   1H5*    G  40          1H5*        G  40  56.422   3.886   4.775
  144   2H5*    G  40          2H5*        G  40  56.755   5.554   5.281
  145    H4*    G  40           H4*        G  40  58.673   4.833   4.151
  146    H3*    G  40           H3*        G  40  57.026   6.633   2.384
  147    H2*    G  40           H2*        G  40  58.725   6.389   0.691
  148   2HO*    G  40          2HO*        G  40  60.192   4.952   2.683
  149    H1*    G  40           H1*        G  40  58.993   3.628   1.009
  150    H8     G  40           H8         G  40  55.378   4.192   1.435
  151    H1     G  40           H1         G  40  57.249   4.475  -4.691
  152   1H2     G  40          H22         G  40  59.429   4.688  -4.807
  153   2H2     G  40          H21         G  40  60.442   4.721  -3.373
  154   1H5*    A  41          1H5*        A  41  60.965   7.627   2.250
  155   2H5*    A  41          2H5*        A  41  61.279   9.361   2.450
  156    H4*    A  41           H4*        A  41  62.517   8.580   0.575
  157    H3*    A  41           H3*        A  41  60.188  10.331  -0.178
  158    H2*    A  41           H2*        A  41  60.845  10.093  -2.490
  159   2HO*    A  41          2HO*        A  41  63.159   8.834  -1.379
  160    H1*    A  41           H1*        A  41  61.264   7.337  -2.349
  161    H8     A  41           H8         A  41  58.314   7.939  -0.171
  162   1H6     A  41          H62         A  41  54.874   8.130  -5.298
  163   2H6     A  41          H61         A  41  54.843   8.167  -3.544
  164    H2     A  41           H2         A  41  59.178   8.178  -6.525
  165   1H5*    G  42          1H5*        G  42  63.262  11.502  -2.456
  166   2H5*    G  42          2H5*        G  42  63.613  13.229  -2.248
  167    H4*    G  42           H4*        G  42  63.556  12.847  -4.560
  168    H3*    G  42           H3*        G  42  61.020  14.191  -3.642
  169    H2*    G  42           H2*        G  42  60.306  14.226  -5.946
  170   2HO*    G  42          2HO*        G  42  62.969  13.331  -6.485
  171    H1*    G  42           H1*        G  42  61.114  11.594  -6.485
  172    H8     G  42           H8         G  42  59.731  11.449  -3.067
  173    H1     G  42           H1         G  42  55.196  11.836  -7.589
  174   1H2     G  42          H22         G  42  56.089  12.359  -9.524
  175   2H2     G  42          H21         G  42  57.814  12.644  -9.690
  176   1H5*    G  43          1H5*        G  43  62.215  16.045  -7.014
  177   2H5*    G  43          2H5*        G  43  62.333  17.802  -6.799
  178    H4*    G  43           H4*        G  43  61.096  17.418  -8.773
  179    H3*    G  43           H3*        G  43  59.331  18.311  -6.502
  180    H2*    G  43           H2*        G  43  57.464  18.244  -8.021
  181   2HO*    G  43          2HO*        G  43  59.466  17.844 -10.026
  182    H1*    G  43           H1*        G  43  58.233  15.817  -9.236
  183    H8     G  43           H8         G  43  58.883  15.349  -5.626
  184    H1     G  43           H1         G  43  52.662  14.904  -7.140
  185   1H2     G  43          H22         G  43  52.319  15.664  -9.180
  186   2H2     G  43          H21         G  43  53.632  16.268 -10.173
  187    H3T    G  43           H3T        G  43  59.505  20.201  -7.493
  Start of MODEL    2
    1   1H5*    C  27          1H5*        C  27  44.008  13.447  -7.688
    2   2H5*    C  27          2H5*        C  27  43.949  11.926  -8.599
    3    H4*    C  27           H4*        C  27  45.016  13.439 -10.012
    4    H3*    C  27           H3*        C  27  47.015  11.614  -8.709
    5    H2*    C  27           H2*        C  27  48.771  12.762  -9.893
    6   2HO*    C  27          2HO*        C  27  48.303  13.580 -11.796
    7    H1*    C  27           H1*        C  27  47.813  15.328  -9.376
    8   1H4     C  27          H42         C  27  51.934  14.048  -4.691
    9   2H4     C  27          H41         C  27  50.612  13.448  -3.715
   10    H5     C  27           H5         C  27  48.362  13.186  -4.561
   11    H6     C  27           H6         C  27  46.918  13.464  -6.507
   12    H5T    C  27           H5T        C  27  45.299  11.035  -7.234
   13   1H5*    C  28          1H5*        C  28  48.028  11.793 -12.584
   14   2H5*    C  28          2H5*        C  28  48.100  10.197 -13.359
   15    H4*    C  28           H4*        C  28  50.080  11.269 -13.967
   16    H3*    C  28           H3*        C  28  50.619   9.308 -11.745
   17    H2*    C  28           H2*        C  28  52.947   9.922 -11.875
   18   2HO*    C  28          2HO*        C  28  53.741  10.657 -13.710
   19    H1*    C  28           H1*        C  28  52.466  12.668 -12.024
   20   1H4     C  28          H42         C  28  53.320  11.407  -5.845
   21   2H4     C  28          H41         C  28  51.583  11.206  -5.673
   22    H5     C  28           H5         C  28  50.072  11.188  -7.538
   23    H6     C  28           H6         C  28  49.886  11.419  -9.958
   24   1H5*    U  29          1H5*        U  29  53.487   8.777 -14.590
   25   2H5*    U  29          2H5*        U  29  53.641   7.078 -15.077
   26    H4*    U  29           H4*        U  29  55.815   7.889 -14.641
   27    H3*    U  29           H3*        U  29  54.856   6.066 -12.441
   28    H2*    U  29           H2*        U  29  57.001   6.361 -11.385
   29   2HO*    U  29          2HO*        U  29  58.707   6.884 -12.534
   30    H1*    U  29           H1*        U  29  57.090   9.122 -11.776
   31    H3     U  29           H3         U  29  56.353   8.151  -7.337
   32    H5     U  29           H5         U  29  52.571   8.467  -9.143
   33    H6     U  29           H6         U  29  53.677   8.473 -11.277
   34   1H5*    C  30          1H5*        C  30  58.722   5.151 -13.358
   35   2H5*    C  30          2H5*        C  30  58.925   3.414 -13.660
   36    H4*    C  30           H4*        C  30  60.629   4.147 -12.151
   37    H3*    C  30           H3*        C  30  58.557   2.370 -10.890
   38    H2*    C  30           H2*        C  30  59.761   2.543  -8.808
   39   2HO*    C  30          2HO*        C  30  61.859   2.900  -8.841
   40    H1*    C  30           H1*        C  30  60.185   5.298  -8.976
   41   1H4     C  30          H42         C  30  54.848   4.438  -5.613
   42   2H4     C  30          H41         C  30  53.904   4.582  -7.079
   43    H5     C  30           H5         C  30  54.917   4.739  -9.268
   44    H6     C  30           H6         C  30  57.028   4.824 -10.485
   45   1H5*    C  31          1H5*        C  31  62.177   1.120  -9.597
   46   2H5*    C  31          2H5*        C  31  62.451  -0.594  -9.965
   47    H4*    C  31           H4*        C  31  63.063  -0.332  -7.728
   48    H3*    C  31           H3*        C  31  60.341  -1.597  -7.938
   49    H2*    C  31           H2*        C  31  60.254  -1.690  -5.533
   50   2HO*    C  31          2HO*        C  31  62.954  -0.749  -5.548
   51    H1*    C  31           H1*        C  31  61.310   0.883  -5.133
   52   1H4     C  31          H42         C  31  54.977   1.398  -4.891
   53   2H4     C  31          H41         C  31  54.921   1.663  -6.623
   54    H5     C  31           H5         C  31  56.897   1.511  -8.025
   55    H6     C  31           H6         C  31  59.285   1.025  -8.052
   56   1H5*    C  32          1H5*        C  32  61.543  -3.573  -4.982
   57   2H5*    C  32          2H5*        C  32  61.674  -5.297  -5.380
   58    H4*    C  32           H4*        C  32  60.323  -4.614  -3.315
   59    H3*    C  32           H3*        C  32  59.417  -6.612  -5.360
   60    H2*    C  32           H2*        C  32  57.332  -6.863  -4.179
   61   2HO*    C  32          2HO*        C  32  57.217  -5.350  -2.187
   62    H1*    C  32           H1*        C  32  56.899  -4.140  -3.788
   63   1H4     C  32          H42         C  32  54.021  -5.372  -9.315
   64   2H4     C  32          H41         C  32  55.533  -5.142 -10.165
   65    H5     C  32           H5         C  32  57.640  -4.776  -9.028
   66    H6     C  32           H6         C  32  58.720  -4.565  -6.849
   67   1H5*    U  33          1H5*        U  33  59.004  -8.896  -0.959
   68   2H5*    U  33          2H5*        U  33  59.834 -10.312  -1.631
   69    H4*    U  33           H4*        U  33  57.812 -10.889  -0.366
   70    H3*    U  33           H3*        U  33  58.000 -11.647  -3.259
   71    H2*    U  33           H2*        U  33  55.783 -12.594  -3.153
   72   2HO*    U  33          2HO*        U  33  55.924 -13.511  -1.062
   73    H1*    U  33           H1*        U  33  54.628 -10.452  -1.824
   74    H3     U  33           H3         U  33  53.308 -10.000  -6.149
   75    H5     U  33           H5         U  33  57.153  -8.318  -6.005
   76    H6     U  33           H6         U  33  57.358  -9.171  -3.764
   77   1H5*  CM0  34          1H5*      CM0  34  57.533 -16.321  -2.709
   78   2H5*  CM0  34          2H5*      CM0  34  59.091 -16.433  -3.552
   79    H4*  CM0  34           H4*      CM0  34  58.077 -16.353  -5.670
   80    H3*  CM0  34           H3*      CM0  34  55.643 -15.291  -4.312
   81    H1*  CM0  34           H1*      CM0  34  55.601 -18.943  -5.631
   82    H2*  CM0  34           H2*      CM0  34  54.196 -16.558  -5.751
   83    H6   CM0  34           H6       CM0  34  56.459 -18.357  -2.503
   84    H3   CM0  34           H3       CM0  34  51.711 -18.512  -2.953
   85   1H7C  CM0  34          H7        CM0  34  56.541 -20.555  -0.171
   86   2H7C  CM0  34          H8        CM0  34  54.819 -20.981  -0.420
   87    HA   CM0  34          2HO*      CM0  34  56.602 -16.985  -7.219
   88   1H5*    A  35          1H5*        A  35  52.935 -15.247  -7.161
   89   2H5*    A  35          2H5*        A  35  52.641 -13.497  -7.194
   90    H4*    A  35           H4*        A  35  50.805 -15.057  -6.294
   91    H3*    A  35           H3*        A  35  51.658 -12.504  -4.944
   92    H2*    A  35           H2*        A  35  50.057 -12.932  -3.218
   93   2HO*    A  35          2HO*        A  35  49.044 -15.185  -4.591
   94    H1*    A  35           H1*        A  35  50.453 -15.757  -3.172
   95    H8     A  35           H8         A  35  53.864 -14.787  -2.963
   96   1H6     A  35          H62         A  35  53.007 -12.823   2.845
   97   2H6     A  35          H61         A  35  54.197 -13.260   1.638
   98    H2     A  35           H2         A  35  48.980 -13.346   0.945
   99   1H5*    C  36          1H5*        C  36  46.999 -12.129  -5.142
  100   2H5*    C  36          2H5*        C  36  47.068 -10.753  -6.261
  101    H4*    C  36           H4*        C  36  45.444 -10.241  -4.633
  102    H3*    C  36           H3*        C  36  47.979  -8.676  -4.333
  103    H2*    C  36           H2*        C  36  47.117  -7.620  -2.350
  104   2HO*    C  36          2HO*        C  36  45.012  -7.232  -2.560
  105    H1*    C  36           H1*        C  36  46.105  -9.936  -1.190
  106   1H4     C  36          H42         C  36  52.043  -9.578   1.036
  107   2H4     C  36          H41         C  36  52.631 -10.431  -0.374
  108    H5     C  36           H5         C  36  51.211 -11.004  -2.252
  109    H6     C  36           H6         C  36  48.948 -10.872  -3.153
  110   1H5*    A  37          1H5*        A  37  45.156  -5.326  -3.982
  111   2H5*    A  37          2H5*        A  37  46.169  -3.950  -4.459
  112    H4*    A  37           H4*        A  37  45.386  -4.176  -2.007
  113    H3*    A  37           H3*        A  37  48.105  -3.334  -2.929
  114    H2*    A  37           H2*        A  37  48.901  -3.301  -0.659
  115   2HO*    A  37          2HO*        A  37  46.159  -3.193  -0.158
  116    H1*    A  37           H1*        A  37  47.769  -5.719   0.102
  117    H8     A  37           H8         A  37  48.718  -6.237  -3.451
  118   1H6     A  37          H62         A  37  54.485  -7.358  -1.493
  119   2H6     A  37          H61         A  37  53.391  -7.436  -2.856
  120    H2     A  37           H2         A  37  52.153  -5.666   1.942
  121   1H5*    A  38          1H5*        A  38  46.464  -1.357   0.259
  122   2H5*    A  38          2H5*        A  38  46.738   0.387   0.442
  123    H4*    A  38           H4*        A  38  47.246  -0.883   2.478
  124    H3*    A  38           H3*        A  38  49.397   0.737   1.172
  125    H2*    A  38           H2*        A  38  50.993  -0.023   2.804
  126   2HO*    A  38          2HO*        A  38  50.369  -0.851   4.714
  127    H1*    A  38           H1*        A  38  50.238  -2.701   2.747
  128    H8     A  38           H8         A  38  49.924  -1.198  -0.708
  129   1H6     A  38          H62         A  38  55.877  -2.710  -1.500
  130   2H6     A  38          H61         A  38  54.428  -2.124  -2.287
  131    H2     A  38           H2         A  38  54.834  -3.373   2.810
  132   1H5*    G  39          1H5*        G  39  50.472   1.319   4.647
  133   2H5*    G  39          2H5*        G  39  50.854   3.011   5.024
  134    H4*    G  39           H4*        G  39  52.827   1.646   5.231
  135    H3*    G  39           H3*        G  39  52.885   3.600   2.939
  136    H2*    G  39           H2*        G  39  55.135   2.847   2.473
  137   2HO*    G  39          2HO*        G  39  54.841   1.404   4.924
  138    H1*    G  39           H1*        G  39  54.527   0.133   2.721
  139    H8     G  39           H8         G  39  51.515   1.517   1.130
  140    H1     G  39           H1         G  39  56.444   1.030  -2.945
  141   1H2     G  39          H22         G  39  58.311   0.700  -1.861
  142   2H2     G  39          H21         G  39  58.354   0.564  -0.112
  143   1H5*    G  40          1H5*        G  40  56.399   3.933   4.730
  144   2H5*    G  40          2H5*        G  40  56.757   5.587   5.267
  145    H4*    G  40           H4*        G  40  58.669   4.866   4.136
  146    H3*    G  40           H3*        G  40  57.048   6.701   2.384
  147    H2*    G  40           H2*        G  40  58.746   6.455   0.689
  148   2HO*    G  40          2HO*        G  40  60.197   4.996   2.675
  149    H1*    G  40           H1*        G  40  58.992   3.689   0.985
  150    H8     G  40           H8         G  40  55.379   4.298   1.399
  151    H1     G  40           H1         G  40  57.277   4.564  -4.719
  152   1H2     G  40          H22         G  40  59.460   4.739  -4.823
  153   2H2     G  40          H21         G  40  60.470   4.751  -3.388
  154   1H5*    A  41          1H5*        A  41  60.988   7.677   2.268
  155   2H5*    A  41          2H5*        A  41  61.312   9.404   2.506
  156    H4*    A  41           H4*        A  41  62.547   8.674   0.615
  157    H3*    A  41           H3*        A  41  60.203  10.413  -0.116
  158    H2*    A  41           H2*        A  41  60.860  10.210  -2.431
  159   2HO*    A  41          2HO*        A  41  63.190   8.966  -1.337
  160    H1*    A  41           H1*        A  41  61.311   7.456  -2.324
  161    H8     A  41           H8         A  41  58.350   8.018  -0.146
  162   1H6     A  41          H62         A  41  54.924   8.209  -5.278
  163   2H6     A  41          H61         A  41  54.891   8.247  -3.521
  164    H2     A  41           H2         A  41  59.230   8.306  -6.496
  165   1H5*    G  42          1H5*        G  42  63.239  11.656  -2.376
  166   2H5*    G  42          2H5*        G  42  63.573  13.384  -2.147
  167    H4*    G  42           H4*        G  42  63.497  13.044  -4.463
  168    H3*    G  42           H3*        G  42  60.935  14.314  -3.509
  169    H2*    G  42           H2*        G  42  60.220  14.381  -5.812
  170   2HO*    G  42          2HO*        G  42  62.911  13.583  -6.350
  171    H1*    G  42           H1*        G  42  61.087  11.775  -6.397
  172    H8     G  42           H8         G  42  59.695  11.538  -2.990
  173    H1     G  42           H1         G  42  55.166  11.938  -7.519
  174   1H2     G  42          H22         G  42  56.052  12.510  -9.434
  175   2H2     G  42          H21         G  42  57.773  12.820  -9.599
  176   1H5*    G  43          1H5*        G  43  62.076  16.269  -6.827
  177   2H5*    G  43          2H5*        G  43  62.164  18.024  -6.577
  178    H4*    G  43           H4*        G  43  60.929  17.665  -8.553
  179    H3*    G  43           H3*        G  43  59.147  18.458  -6.259
  180    H2*    G  43           H2*        G  43  57.279  18.386  -7.778
  181   2HO*    G  43          2HO*        G  43  59.315  18.157  -9.772
  182    H1*    G  43           H1*        G  43  58.109  16.013  -9.061
  183    H8     G  43           H8         G  43  58.761  15.456  -5.466
  184    H1     G  43           H1         G  43  52.553  14.926  -7.008
  185   1H2     G  43          H22         G  43  52.200  15.730  -9.030
  186   2H2     G  43          H21         G  43  53.505  16.383 -10.001
  187    H3T    G  43           H3T        G  43  59.340  20.071  -8.376
  Start of MODEL    3
    1   1H5*    C  27          1H5*        C  27  43.920  13.579  -7.555
    2   2H5*    C  27          2H5*        C  27  43.796  12.042  -8.433
    3    H4*    C  27           H4*        C  27  44.859  13.496  -9.908
    4    H3*    C  27           H3*        C  27  46.853  11.655  -8.621
    5    H2*    C  27           H2*        C  27  48.600  12.735  -9.880
    6   2HO*    C  27          2HO*        C  27  48.093  13.522 -11.787
    7    H1*    C  27           H1*        C  27  47.712  15.334  -9.398
    8   1H4     C  27          H42         C  27  51.934  14.094  -4.795
    9   2H4     C  27          H41         C  27  50.629  13.537  -3.770
   10    H5     C  27           H5         C  27  48.354  13.292  -4.549
   11    H6     C  27           H6         C  27  46.862  13.551  -6.463
   12    H5T    C  27           H5T        C  27  45.046  12.584  -6.110
   13   1H5*    C  28          1H5*        C  28  47.761  11.720 -12.522
   14   2H5*    C  28          2H5*        C  28  47.785  10.108 -13.263
   15    H4*    C  28           H4*        C  28  49.772  11.123 -13.939
   16    H3*    C  28           H3*        C  28  50.330   9.209 -11.682
   17    H2*    C  28           H2*        C  28  52.665   9.776 -11.898
   18   2HO*    C  28          2HO*        C  28  53.381  10.357 -13.810
   19    H1*    C  28           H1*        C  28  52.227  12.524 -12.095
   20   1H4     C  28          H42         C  28  53.246  11.403  -5.917
   21   2H4     C  28          H41         C  28  51.512  11.232  -5.686
   22    H5     C  28           H5         C  28  49.945  11.196  -7.504
   23    H6     C  28           H6         C  28  49.688  11.370  -9.923
   24   1H5*    U  29          1H5*        U  29  53.091   8.559 -14.607
   25   2H5*    U  29          2H5*        U  29  53.226   6.846 -15.045
   26    H4*    U  29           H4*        U  29  55.414   7.679 -14.711
   27    H3*    U  29           H3*        U  29  54.544   5.889 -12.449
   28    H2*    U  29           H2*        U  29  56.715   6.222 -11.464
   29   2HO*    U  29          2HO*        U  29  58.385   6.739 -12.670
   30    H1*    U  29           H1*        U  29  56.776   8.975 -11.910
   31    H3     U  29           H3         U  29  56.180   8.072  -7.437
   32    H5     U  29           H5         U  29  52.344   8.372  -9.132
   33    H6     U  29           H6         U  29  53.385   8.330 -11.297
   34   1H5*    C  30          1H5*        C  30  58.404   4.998 -13.455
   35   2H5*    C  30          2H5*        C  30  58.612   3.256 -13.724
   36    H4*    C  30           H4*        C  30  60.351   4.044 -12.278
   37    H3*    C  30           H3*        C  30  58.342   2.258 -10.934
   38    H2*    C  30           H2*        C  30  59.594   2.484  -8.886
   39   2HO*    C  30          2HO*        C  30  61.681   2.892  -8.968
   40    H1*    C  30           H1*        C  30  59.968   5.241  -9.106
   41   1H4     C  30          H42         C  30  54.718   4.339  -5.612
   42   2H4     C  30          H41         C  30  53.742   4.448  -7.059
   43    H5     C  30           H5         C  30  54.702   4.598  -9.271
   44    H6     C  30           H6         C  30  56.785   4.699 -10.535
   45   1H5*    C  31          1H5*        C  31  61.984   1.137  -9.707
   46   2H5*    C  31          2H5*        C  31  62.329  -0.565 -10.075
   47    H4*    C  31           H4*        C  31  62.986  -0.287  -7.860
   48    H3*    C  31           H3*        C  31  60.293  -1.623  -7.982
   49    H2*    C  31           H2*        C  31  60.272  -1.695  -5.574
   50   2HO*    C  31          2HO*        C  31  62.103  -1.448  -4.395
   51    H1*    C  31           H1*        C  31  61.260   0.909  -5.224
   52   1H4     C  31          H42         C  31  54.926   1.308  -4.858
   53   2H4     C  31          H41         C  31  54.832   1.547  -6.591
   54    H5     C  31           H5         C  31  56.779   1.410  -8.033
   55    H6     C  31           H6         C  31  59.176   0.966  -8.105
   56   1H5*    C  32          1H5*        C  32  62.336  -3.239  -5.009
   57   2H5*    C  32          2H5*        C  32  62.775  -4.909  -5.422
   58    H4*    C  32           H4*        C  32  62.158  -4.802  -3.114
   59    H3*    C  32           H3*        C  32  60.235  -6.293  -4.874
   60    H2*    C  32           H2*        C  32  58.846  -6.722  -2.956
   61   2HO*    C  32          2HO*        C  32  61.069  -6.759  -1.662
   62    H1*    C  32           H1*        C  32  59.033  -4.137  -1.893
   63   1H4     C  32          H42         C  32  53.750  -3.803  -5.370
   64   2H4     C  32          H41         C  32  54.677  -3.791  -6.853
   65    H5     C  32           H5         C  32  57.086  -4.044  -6.902
   66    H6     C  32           H6         C  32  59.086  -4.355  -5.539
   67   1H5*    U  33          1H5*        U  33  60.509  -9.029  -1.354
   68   2H5*    U  33          2H5*        U  33  61.341 -10.357  -2.187
   69    H4*    U  33           H4*        U  33  59.628 -11.361  -0.958
   70    H3*    U  33           H3*        U  33  58.971 -11.197  -3.875
   71    H2*    U  33           H2*        U  33  56.802 -12.153  -3.458
   72   2HO*    U  33          2HO*        U  33  56.999 -13.669  -1.925
   73    H1*    U  33           H1*        U  33  56.201 -10.578  -1.251
   74    H3     U  33           H3         U  33  53.713  -8.589  -4.436
   75    H5     U  33           H5         U  33  57.640  -7.404  -5.333
   76    H6     U  33           H6         U  33  58.405  -8.913  -3.620
   77   1H5*  CM0  34          1H5*      CM0  34  57.659 -15.135  -3.241
   78   2H5*  CM0  34          2H5*      CM0  34  58.934 -16.094  -4.020
   79    H4*  CM0  34           H4*      CM0  34  57.571 -16.256  -6.044
   80    H3*  CM0  34           H3*      CM0  34  55.682 -14.455  -4.606
   81    H1*  CM0  34           H1*      CM0  34  54.855 -18.242  -4.686
   82    H2*  CM0  34           H2*      CM0  34  53.781 -15.766  -5.273
   83    H6   CM0  34           H6       CM0  34  56.618 -16.926  -2.201
   84    H3   CM0  34           H3       CM0  34  51.935 -16.341  -1.483
   85   1H7C  CM0  34          H7        CM0  34  57.151 -18.196   0.026
   86   2H7C  CM0  34          H8        CM0  34  55.898 -18.264   1.304
   87    HA   CM0  34          2HO*      CM0  34  54.182 -17.614  -6.708
   88   1H5*    A  35          1H5*        A  35  53.155 -12.490  -7.549
   89   2H5*    A  35          2H5*        A  35  53.056 -11.203  -6.331
   90    H4*    A  35           H4*        A  35  51.451 -13.577  -6.655
   91    H3*    A  35           H3*        A  35  50.774 -11.063  -6.065
   92    H2*    A  35           H2*        A  35  51.874 -10.923  -3.912
   93   2HO*    A  35          2HO*        A  35  49.887 -12.059  -2.555
   94    H1*    A  35           H1*        A  35  50.839 -13.723  -3.255
   95    H8     A  35           H8         A  35  54.499 -12.787  -3.504
   96   1H6     A  35          H62         A  35  54.560 -12.919   2.688
   97   2H6     A  35          H61         A  35  55.543 -12.797   1.246
   98    H2     A  35           H2         A  35  50.303 -13.281   1.328
   99   1H5*    C  36          1H5*        C  36  48.048 -12.272  -2.885
  100   2H5*    C  36          2H5*        C  36  46.577 -12.425  -3.865
  101    H4*    C  36           H4*        C  36  45.488 -11.017  -2.563
  102    H3*    C  36           H3*        C  36  47.703  -9.084  -3.163
  103    H2*    C  36           H2*        C  36  47.015  -7.736  -1.290
  104   2HO*    C  36          2HO*        C  36  44.983  -9.274  -0.341
  105    H1*    C  36           H1*        C  36  46.661  -9.865   0.479
  106   1H4     C  36          H42         C  36  52.677  -8.193   1.545
  107   2H4     C  36          H41         C  36  53.191  -8.940   0.048
  108    H5     C  36           H5         C  36  51.639  -9.919  -1.534
  109    H6     C  36           H6         C  36  49.288 -10.374  -1.999
  110   1H5*    A  37          1H5*        A  37  44.517  -5.943  -3.001
  111   2H5*    A  37          2H5*        A  37  45.450  -4.644  -3.771
  112    H4*    A  37           H4*        A  37  44.948  -4.620  -1.202
  113    H3*    A  37           H3*        A  37  47.423  -3.689  -2.601
  114    H2*    A  37           H2*        A  37  48.530  -3.334  -0.493
  115   2HO*    A  37          2HO*        A  37  45.992  -3.067   0.358
  116    H1*    A  37           H1*        A  37  47.786  -5.740   0.658
  117    H8     A  37           H8         A  37  48.167  -6.482  -2.980
  118   1H6     A  37          H62         A  37  54.242  -7.087  -1.942
  119   2H6     A  37          H61         A  37  52.951  -7.331  -3.098
  120    H2     A  37           H2         A  37  52.372  -5.308   1.726
  121   1H5*    A  38          1H5*        A  38  45.964  -0.644   0.607
  122   2H5*    A  38          2H5*        A  38  46.960   0.809   0.389
  123    H4*    A  38           H4*        A  38  47.053  -0.622   2.596
  124    H3*    A  38           H3*        A  38  49.292   0.848   1.256
  125    H2*    A  38           H2*        A  38  50.861  -0.076   2.831
  126   2HO*    A  38          2HO*        A  38  49.038   0.062   4.534
  127    H1*    A  38           H1*        A  38  49.893  -2.681   2.723
  128    H8     A  38           H8         A  38  49.547  -1.192  -0.706
  129   1H6     A  38          H62         A  38  55.422  -2.883  -1.684
  130   2H6     A  38          H61         A  38  53.963  -2.269  -2.428
  131    H2     A  38           H2         A  38  54.516  -3.450   2.672
  132   1H5*    G  39          1H5*        G  39  50.579   1.275   4.709
  133   2H5*    G  39          2H5*        G  39  50.957   2.965   5.102
  134    H4*    G  39           H4*        G  39  52.945   1.636   5.279
  135    H3*    G  39           H3*        G  39  52.945   3.556   2.960
  136    H2*    G  39           H2*        G  39  55.194   2.816   2.462
  137   2HO*    G  39          2HO*        G  39  54.946   1.512   4.986
  138    H1*    G  39           H1*        G  39  54.614   0.101   2.753
  139    H8     G  39           H8         G  39  51.554   1.426   1.208
  140    H1     G  39           H1         G  39  56.409   0.971  -2.959
  141   1H2     G  39          H22         G  39  58.301   0.684  -1.912
  142   2H2     G  39          H21         G  39  58.383   0.563  -0.162
  143   1H5*    G  40          1H5*        G  40  56.479   3.973   4.695
  144   2H5*    G  40          2H5*        G  40  56.825   5.638   5.199
  145    H4*    G  40           H4*        G  40  58.727   4.922   4.047
  146    H3*    G  40           H3*        G  40  57.058   6.714   2.296
  147    H2*    G  40           H2*        G  40  58.728   6.463   0.578
  148   2HO*    G  40          2HO*        G  40  60.225   5.034   2.553
  149    H1*    G  40           H1*        G  40  59.002   3.703   0.901
  150    H8     G  40           H8         G  40  55.393   4.271   1.386
  151    H1     G  40           H1         G  40  57.160   4.515  -4.773
  152   1H2     G  40          H22         G  40  59.338   4.733  -4.926
  153   2H2     G  40          H21         G  40  60.374   4.773  -3.509
  154   1H5*    A  41          1H5*        A  41  60.995   7.708   2.095
  155   2H5*    A  41          2H5*        A  41  61.310   9.442   2.288
  156    H4*    A  41           H4*        A  41  62.518   8.659   0.394
  157    H3*    A  41           H3*        A  41  60.177  10.407  -0.326
  158    H2*    A  41           H2*        A  41  60.791  10.162  -2.647
  159   2HO*    A  41          2HO*        A  41  63.113   8.850  -1.608
  160    H1*    A  41           H1*        A  41  61.224   7.406  -2.504
  161    H8     A  41           H8         A  41  58.307   8.010  -0.282
  162   1H6     A  41          H62         A  41  54.788   8.155  -5.358
  163   2H6     A  41          H61         A  41  54.782   8.203  -3.602
  164    H2     A  41           H2         A  41  59.070   8.221  -6.651
  165   1H5*    G  42          1H5*        G  42  63.204  11.565  -2.669
  166   2H5*    G  42          2H5*        G  42  63.558  13.293  -2.476
  167    H4*    G  42           H4*        G  42  63.453  12.900  -4.785
  168    H3*    G  42           H3*        G  42  60.934  14.245  -3.823
  169    H2*    G  42           H2*        G  42  60.176  14.270  -6.112
  170   2HO*    G  42          2HO*        G  42  62.841  13.408  -6.681
  171    H1*    G  42           H1*        G  42  60.978  11.636  -6.655
  172    H8     G  42           H8         G  42  59.656  11.505  -3.213
  173    H1     G  42           H1         G  42  55.042  11.857  -7.657
  174   1H2     G  42          H22         G  42  55.898  12.376  -9.607
  175   2H2     G  42          H21         G  42  57.619  12.665  -9.807
  176   1H5*    G  43          1H5*        G  43  62.054  16.091  -7.229
  177   2H5*    G  43          2H5*        G  43  62.170  17.849  -7.018
  178    H4*    G  43           H4*        G  43  60.893  17.457  -8.965
  179    H3*    G  43           H3*        G  43  59.173  18.347  -6.660
  180    H2*    G  43           H2*        G  43  57.275  18.272  -8.141
  181   2HO*    G  43          2HO*        G  43  59.219  17.837 -10.196
  182    H1*    G  43           H1*        G  43  58.029  15.846  -9.367
  183    H8     G  43           H8         G  43  58.754  15.387  -5.772
  184    H1     G  43           H1         G  43  52.506  14.905  -7.155
  185   1H2     G  43          H22         G  43  52.117  15.662  -9.188
  186   2H2     G  43          H21         G  43  53.405  16.271 -10.208
  187    H3T    G  43           H3T        G  43  60.201  20.014  -7.283
  Start of MODEL    4
    1   1H5*    C  27          1H5*        C  27  43.959  13.167  -7.578
    2   2H5*    C  27          2H5*        C  27  44.114  11.577  -8.348
    3    H4*    C  27           H4*        C  27  45.133  13.227  -9.740
    4    H3*    C  27           H3*        C  27  47.082  11.341  -8.441
    5    H2*    C  27           H2*        C  27  48.862  12.482  -9.595
    6   2HO*    C  27          2HO*        C  27  48.415  13.336 -11.488
    7    H1*    C  27           H1*        C  27  47.925  15.052  -9.043
    8   1H4     C  27          H42         C  27  52.036  13.669  -4.376
    9   2H4     C  27          H41         C  27  50.709  13.059  -3.412
   10    H5     C  27           H5         C  27  48.458  12.828  -4.262
   11    H6     C  27           H6         C  27  47.015  13.153  -6.203
   12    H5T    C  27           H5T        C  27  46.202  11.633  -6.930
   13   1H5*    C  28          1H5*        C  28  48.126  11.578 -12.323
   14   2H5*    C  28          2H5*        C  28  48.186   9.991 -13.116
   15    H4*    C  28           H4*        C  28  50.175  11.058 -13.707
   16    H3*    C  28           H3*        C  28  50.694   9.056 -11.516
   17    H2*    C  28           H2*        C  28  53.027   9.653 -11.634
   18   2HO*    C  28          2HO*        C  28  53.833  10.420 -13.448
   19    H1*    C  28           H1*        C  28  52.570  12.405 -11.740
   20   1H4     C  28          H42         C  28  53.407  11.040  -5.579
   21   2H4     C  28          H41         C  28  51.667  10.848  -5.415
   22    H5     C  28           H5         C  28  50.161  10.870  -7.280
   23    H6     C  28           H6         C  28  49.979  11.144  -9.697
   24   1H5*    U  29          1H5*        U  29  53.564   8.557 -14.369
   25   2H5*    U  29          2H5*        U  29  53.710   6.865 -14.880
   26    H4*    U  29           H4*        U  29  55.887   7.663 -14.432
   27    H3*    U  29           H3*        U  29  54.923   5.802 -12.267
   28    H2*    U  29           H2*        U  29  57.068   6.072 -11.203
   29   2HO*    U  29          2HO*        U  29  58.776   6.611 -12.341
   30    H1*    U  29           H1*        U  29  57.167   8.839 -11.544
   31    H3     U  29           H3         U  29  56.420   7.790  -7.125
   32    H5     U  29           H5         U  29  52.640   8.155  -8.930
   33    H6     U  29           H6         U  29  53.749   8.194 -11.061
   34   1H5*    C  30          1H5*        C  30  58.790   4.893 -13.192
   35   2H5*    C  30          2H5*        C  30  58.987   3.162 -13.525
   36    H4*    C  30           H4*        C  30  60.690   3.860 -12.003
   37    H3*    C  30           H3*        C  30  58.610   2.070 -10.776
   38    H2*    C  30           H2*        C  30  59.813   2.200  -8.690
   39   2HO*    C  30          2HO*        C  30  61.909   2.559  -8.706
   40    H1*    C  30           H1*        C  30  60.246   4.955  -8.807
   41   1H4     C  30          H42         C  30  54.899   4.062  -5.472
   42   2H4     C  30          H41         C  30  53.958   4.234  -6.938
   43    H5     C  30           H5         C  30  54.976   4.424  -9.121
   44    H6     C  30           H6         C  30  57.090   4.520 -10.332
   45   1H5*    C  31          1H5*        C  31  62.196   0.819  -9.492
   46   2H5*    C  31          2H5*        C  31  62.507  -0.879  -9.904
   47    H4*    C  31           H4*        C  31  63.104  -0.688  -7.663
   48    H3*    C  31           H3*        C  31  60.381  -1.944  -7.904
   49    H2*    C  31           H2*        C  31  60.290  -2.093  -5.503
   50   2HO*    C  31          2HO*        C  31  62.092  -1.965  -4.272
   51    H1*    C  31           H1*        C  31  61.345   0.468  -5.041
   52   1H4     C  31          H42         C  31  55.016   1.010  -4.805
   53   2H4     C  31          H41         C  31  54.964   1.301  -6.532
   54    H5     C  31           H5         C  31  56.943   1.166  -7.933
   55    H6     C  31           H6         C  31  59.330   0.669  -7.966
   56   1H5*    C  32          1H5*        C  32  62.562  -4.749  -5.427
   57   2H5*    C  32          2H5*        C  32  61.851  -6.354  -5.681
   58    H4*    C  32           H4*        C  32  61.720  -5.181  -3.353
   59    H3*    C  32           H3*        C  32  59.596  -6.845  -4.658
   60    H2*    C  32           H2*        C  32  58.085  -6.346  -2.852
   61   2HO*    C  32          2HO*        C  32  60.260  -4.977  -1.600
   62    H1*    C  32           H1*        C  32  58.648  -3.622  -2.738
   63   1H4     C  32          H42         C  32  53.793  -3.964  -6.812
   64   2H4     C  32          H41         C  32  54.892  -4.341  -8.118
   65    H5     C  32           H5         C  32  57.261  -4.715  -7.778
   66    H6     C  32           H6         C  32  59.048  -4.800  -6.119
   67   1H5*    U  33          1H5*        U  33  59.140  -8.804  -0.474
   68   2H5*    U  33          2H5*        U  33  59.715 -10.369  -1.077
   69    H4*    U  33           H4*        U  33  57.610 -10.556   0.148
   70    H3*    U  33           H3*        U  33  57.707 -11.390  -2.724
   71    H2*    U  33           H2*        U  33  55.350 -11.869  -2.698
   72   2HO*    U  33          2HO*        U  33  55.630 -12.630  -0.349
   73    H1*    U  33           H1*        U  33  54.578  -9.553  -1.374
   74    H3     U  33           H3         U  33  53.505  -9.079  -5.799
   75    H5     U  33           H5         U  33  57.449  -7.689  -5.412
   76    H6     U  33           H6         U  33  57.461  -8.574  -3.174
   77   1H5*  CM0  34          1H5*      CM0  34  55.649 -15.077  -1.975
   78   2H5*  CM0  34          2H5*      CM0  34  57.097 -16.099  -1.906
   79    H4*  CM0  34           H4*      CM0  34  56.891 -16.658  -4.227
   80    H3*  CM0  34           H3*      CM0  34  54.744 -14.568  -4.350
   81    H1*  CM0  34           H1*      CM0  34  53.842 -18.327  -4.465
   82    H2*  CM0  34           H2*      CM0  34  53.489 -15.947  -5.874
   83    H6   CM0  34           H6       CM0  34  53.674 -16.691  -1.615
   84    H3   CM0  34           H3       CM0  34  49.656 -16.128  -4.125
   85   1H7C  CM0  34          H7        CM0  34  50.495 -17.757   0.622
   86   2H7C  CM0  34          H8        CM0  34  51.889 -17.228   1.611
   87    HA   CM0  34          2HO*      CM0  34  54.441 -17.916  -6.655
   88   1H5*    A  35          1H5*        A  35  53.836 -11.629  -6.591
   89   2H5*    A  35          2H5*        A  35  53.566 -12.382  -5.007
   90    H4*    A  35           H4*        A  35  51.835 -13.042  -7.363
   91    H3*    A  35           H3*        A  35  51.846 -10.453  -6.731
   92    H2*    A  35           H2*        A  35  51.538 -10.693  -4.343
   93   2HO*    A  35          2HO*        A  35  48.850 -10.961  -4.625
   94    H1*    A  35           H1*        A  35  49.420 -12.832  -4.862
   95    H8     A  35           H8         A  35  52.723 -13.228  -2.991
   96   1H6     A  35          H62         A  35  49.270 -13.564   2.139
   97   2H6     A  35          H61         A  35  50.885 -13.721   1.483
   98    H2     A  35           H2         A  35  46.579 -12.485  -1.283
   99   1H5*    C  36          1H5*        C  36  47.520 -10.883  -5.934
  100   2H5*    C  36          2H5*        C  36  46.850 -10.294  -7.469
  101    H4*    C  36           H4*        C  36  45.509  -8.945  -6.359
  102    H3*    C  36           H3*        C  36  48.057  -7.656  -5.416
  103    H2*    C  36           H2*        C  36  46.790  -6.439  -3.775
  104   2HO*    C  36          2HO*        C  36  44.454  -6.586  -3.832
  105    H1*    C  36           H1*        C  36  45.128  -8.598  -3.051
  106   1H4     C  36          H42         C  36  49.629  -8.818   1.392
  107   2H4     C  36          H41         C  36  50.825  -9.336   0.225
  108    H5     C  36           H5         C  36  50.350  -9.540  -2.142
  109    H6     C  36           H6         C  36  48.638  -9.288  -3.862
  110   1H5*    A  37          1H5*        A  37  45.250  -4.386  -5.346
  111   2H5*    A  37          2H5*        A  37  46.299  -2.955  -5.418
  112    H4*    A  37           H4*        A  37  45.022  -3.580  -3.227
  113    H3*    A  37           H3*        A  37  47.759  -2.414  -3.482
  114    H2*    A  37           H2*        A  37  48.152  -2.685  -1.122
  115   2HO*    A  37          2HO*        A  37  45.645  -2.284  -0.869
  116    H1*    A  37           H1*        A  37  47.225  -5.279  -0.941
  117    H8     A  37           H8         A  37  48.700  -4.884  -4.375
  118   1H6     A  37          H62         A  37  54.179  -6.237  -1.828
  119   2H6     A  37          H61         A  37  53.314  -6.000  -3.329
  120    H2     A  37           H2         A  37  51.223  -5.601   1.485
  121   1H5*    A  38          1H5*        A  38  45.843  -0.053  -0.036
  122   2H5*    A  38          2H5*        A  38  46.958   1.320   0.116
  123    H4*    A  38           H4*        A  38  46.759  -0.479   2.006
  124    H3*    A  38           H3*        A  38  49.261   0.896   1.081
  125    H2*    A  38           H2*        A  38  50.546  -0.453   2.613
  126   2HO*    A  38          2HO*        A  38  48.028  -1.467   3.521
  127    H1*    A  38           H1*        A  38  49.312  -2.858   1.959
  128    H8     A  38           H8         A  38  49.518  -0.734  -1.143
  129   1H6     A  38          H62         A  38  55.201  -3.057  -1.949
  130   2H6     A  38          H61         A  38  53.922  -2.110  -2.674
  131    H2     A  38           H2         A  38  53.761  -4.277   2.119
  132   1H5*    G  39          1H5*        G  39  50.459   0.789   4.593
  133   2H5*    G  39          2H5*        G  39  50.860   2.419   5.172
  134    H4*    G  39           H4*        G  39  52.821   1.093   5.307
  135    H3*    G  39           H3*        G  39  52.927   3.097   3.064
  136    H2*    G  39           H2*        G  39  55.165   2.325   2.587
  137   2HO*    G  39          2HO*        G  39  54.843   0.843   5.011
  138    H1*    G  39           H1*        G  39  54.525  -0.388   2.770
  139    H8     G  39           H8         G  39  51.537   1.075   1.202
  140    H1     G  39           H1         G  39  56.473   0.605  -2.867
  141   1H2     G  39          H22         G  39  58.333   0.232  -1.786
  142   2H2     G  39          H21         G  39  58.367   0.064  -0.038
  143   1H5*    G  40          1H5*        G  40  56.421   3.350   4.858
  144   2H5*    G  40          2H5*        G  40  56.803   4.980   5.446
  145    H4*    G  40           H4*        G  40  58.703   4.284   4.288
  146    H3*    G  40           H3*        G  40  57.091   6.162   2.574
  147    H2*    G  40           H2*        G  40  58.788   5.941   0.875
  148   2HO*    G  40          2HO*        G  40  60.229   4.437   2.834
  149    H1*    G  40           H1*        G  40  59.020   3.167   1.119
  150    H8     G  40           H8         G  40  55.409   3.791   1.536
  151    H1     G  40           H1         G  40  57.326   4.157  -4.571
  152   1H2     G  40          H22         G  40  59.512   4.324  -4.667
  153   2H2     G  40          H21         G  40  60.516   4.304  -3.227
  154   1H5*    A  41          1H5*        A  41  61.036   7.121   2.479
  155   2H5*    A  41          2H5*        A  41  61.367   8.842   2.749
  156    H4*    A  41           H4*        A  41  62.601   8.140   0.848
  157    H3*    A  41           H3*        A  41  60.267   9.905   0.146
  158    H2*    A  41           H2*        A  41  60.924   9.743  -2.171
  159   2HO*    A  41          2HO*        A  41  63.245   8.455  -1.105
  160    H1*    A  41           H1*        A  41  61.364   6.984  -2.115
  161    H8     A  41           H8         A  41  58.402   7.520   0.069
  162   1H6     A  41          H62         A  41  54.985   7.819  -5.066
  163   2H6     A  41          H61         A  41  54.951   7.825  -3.310
  164    H2     A  41           H2         A  41  59.297   7.918  -6.274
  165   1H5*    G  42          1H5*        G  42  63.315  11.172  -2.084
  166   2H5*    G  42          2H5*        G  42  63.660  12.894  -1.827
  167    H4*    G  42           H4*        G  42  63.587  12.591  -4.149
  168    H3*    G  42           H3*        G  42  61.032  13.864  -3.180
  169    H2*    G  42           H2*        G  42  60.324  13.972  -5.484
  170   2HO*    G  42          2HO*        G  42  63.014  13.169  -6.024
  171    H1*    G  42           H1*        G  42  61.171  11.370  -6.108
  172    H8     G  42           H8         G  42  59.771  11.089  -2.707
  173    H1     G  42           H1         G  42  55.256  11.586  -7.239
  174   1H2     G  42          H22         G  42  56.150  12.185  -9.144
  175   2H2     G  42          H21         G  42  57.874  12.487  -9.300
  176   1H5*    G  43          1H5*        G  43  62.193  15.864  -6.471
  177   2H5*    G  43          2H5*        G  43  62.290  17.612  -6.186
  178    H4*    G  43           H4*        G  43  61.057  17.294  -8.174
  179    H3*    G  43           H3*        G  43  59.274  18.058  -5.869
  180    H2*    G  43           H2*        G  43  57.411  18.025  -7.396
  181   2HO*    G  43          2HO*        G  43  59.455  17.822  -9.382
  182    H1*    G  43           H1*        G  43  58.227  15.667  -8.713
  183    H8     G  43           H8         G  43  58.871  15.052  -5.126
  184    H1     G  43           H1         G  43  52.663  14.582  -6.686
  185   1H2     G  43          H22         G  43  52.316  15.418  -8.694
  186   2H2     G  43          H21         G  43  53.626  16.080  -9.654
  187    H3T    G  43           H3T        G  43  59.250  19.968  -7.144
  Start of MODEL    5
    1   1H5*    C  27          1H5*        C  27  44.224  13.678  -7.519
    2   2H5*    C  27          2H5*        C  27  44.106  12.151  -8.413
    3    H4*    C  27           H4*        C  27  45.229  13.594  -9.849
    4    H3*    C  27           H3*        C  27  47.171  11.739  -8.501
    5    H2*    C  27           H2*        C  27  48.962  12.810  -9.706
    6   2HO*    C  27          2HO*        C  27  48.521  13.603 -11.625
    7    H1*    C  27           H1*        C  27  48.078  15.413  -9.243
    8   1H4     C  27          H42         C  27  52.155  14.114  -4.526
    9   2H4     C  27          H41         C  27  50.816  13.570  -3.539
   10    H5     C  27           H5         C  27  48.559  13.358  -4.382
   11    H6     C  27           H6         C  27  47.125  13.634  -6.338
   12    H5T    C  27           H5T        C  27  45.394  12.716  -6.075
   13   1H5*    C  28          1H5*        C  28  48.197  11.812 -12.380
   14   2H5*    C  28          2H5*        C  28  48.222  10.200 -13.122
   15    H4*    C  28           H4*        C  28  50.232  11.201 -13.753
   16    H3*    C  28           H3*        C  28  50.714   9.270 -11.492
   17    H2*    C  28           H2*        C  28  53.058   9.814 -11.632
   18   2HO*    C  28          2HO*        C  28  53.875  10.492 -13.478
   19    H1*    C  28           H1*        C  28  52.659  12.567 -11.832
   20   1H4     C  28          H42         C  28  53.460  11.403  -5.626
   21   2H4     C  28          H41         C  28  51.718  11.258  -5.457
   22    H5     C  28           H5         C  28  50.211  11.249  -7.325
   23    H6     C  28           H6         C  28  50.039  11.438  -9.752
   24   1H5*    U  29          1H5*        U  29  53.564   8.603 -14.326
   25   2H5*    U  29          2H5*        U  29  53.675   6.891 -14.778
   26    H4*    U  29           H4*        U  29  55.868   7.658 -14.357
   27    H3*    U  29           H3*        U  29  54.866   5.894 -12.130
   28    H2*    U  29           H2*        U  29  57.014   6.161 -11.072
   29   2HO*    U  29          2HO*        U  29  58.734   6.620 -12.226
   30    H1*    U  29           H1*        U  29  57.171   8.911 -11.514
   31    H3     U  29           H3         U  29  56.408   8.042  -7.060
   32    H5     U  29           H5         U  29  52.635   8.417  -8.875
   33    H6     U  29           H6         U  29  53.743   8.355 -11.006
   34   1H5*    C  30          1H5*        C  30  58.717   4.876 -13.013
   35   2H5*    C  30          2H5*        C  30  58.881   3.130 -13.283
   36    H4*    C  30           H4*        C  30  60.594   3.854 -11.780
   37    H3*    C  30           H3*        C  30  58.480   2.144 -10.499
   38    H2*    C  30           H2*        C  30  59.679   2.328  -8.414
   39   2HO*    C  30          2HO*        C  30  61.781   2.633  -8.446
   40    H1*    C  30           H1*        C  30  60.161   5.068  -8.626
   41   1H4     C  30          H42         C  30  54.788   4.381  -5.277
   42   2H4     C  30          H41         C  30  53.857   4.520  -6.752
   43    H5     C  30           H5         C  30  54.882   4.619  -8.937
   44    H6     C  30           H6         C  30  57.002   4.640 -10.144
   45   1H5*    C  31          1H5*        C  31  62.079   0.832  -9.166
   46   2H5*    C  31          2H5*        C  31  62.304  -0.896  -9.500
   47    H4*    C  31           H4*        C  31  62.918  -0.597  -7.263
   48    H3*    C  31           H3*        C  31  60.176  -1.817  -7.469
   49    H2*    C  31           H2*        C  31  60.067  -1.863  -5.064
   50   2HO*    C  31          2HO*        C  31  61.994  -1.196  -3.868
   51    H1*    C  31           H1*        C  31  61.170   0.697  -4.704
   52   1H4     C  31          H42         C  31  54.849   1.351  -4.507
   53   2H4     C  31          H41         C  31  54.809   1.585  -6.242
   54    H5     C  31           H5         C  31  56.790   1.369  -7.631
   55    H6     C  31           H6         C  31  59.168   0.831  -7.636
   56   1H5*    C  32          1H5*        C  32  61.753  -3.908  -4.282
   57   2H5*    C  32          2H5*        C  32  61.839  -5.583  -4.861
   58    H4*    C  32           H4*        C  32  60.809  -5.241  -2.596
   59    H3*    C  32           H3*        C  32  59.433  -6.792  -4.763
   60    H2*    C  32           H2*        C  32  57.545  -7.135  -3.309
   61   2HO*    C  32          2HO*        C  32  58.423  -5.705  -1.149
   62    H1*    C  32           H1*        C  32  57.424  -4.511  -2.369
   63   1H4     C  32          H42         C  32  53.526  -4.502  -7.379
   64   2H4     C  32          H41         C  32  54.883  -4.259  -8.455
   65    H5     C  32           H5         C  32  57.184  -4.276  -7.695
   66    H6     C  32           H6         C  32  58.642  -4.529  -5.756
   67   1H5*    U  33          1H5*        U  33  58.926  -9.466  -0.963
   68   2H5*    U  33          2H5*        U  33  59.881 -10.801  -1.639
   69    H4*    U  33           H4*        U  33  57.967 -11.766  -0.682
   70    H3*    U  33           H3*        U  33  57.872 -11.712  -3.676
   71    H2*    U  33           H2*        U  33  55.668 -12.684  -3.633
   72   2HO*    U  33          2HO*        U  33  55.444 -14.095  -2.036
   73    H1*    U  33           H1*        U  33  54.656 -11.027  -1.650
   74    H3     U  33           H3         U  33  52.821  -9.203  -5.339
   75    H5     U  33           H5         U  33  56.839  -7.988  -5.496
   76    H6     U  33           H6         U  33  57.267  -9.423  -3.611
   77   1H5*  CM0  34          1H5*      CM0  34  57.644 -16.433  -4.545
   78   2H5*  CM0  34          2H5*      CM0  34  59.065 -16.065  -5.540
   79    H4*  CM0  34           H4*      CM0  34  57.848 -15.663  -7.409
   80    H3*  CM0  34           H3*      CM0  34  55.634 -14.647  -5.655
   81    H1*  CM0  34           H1*      CM0  34  55.167 -17.746  -7.931
   82    H2*  CM0  34           H2*      CM0  34  54.036 -15.254  -7.349
   83    H6   CM0  34           H6       CM0  34  55.824 -17.846  -4.599
   84    H3   CM0  34           H3       CM0  34  51.147 -17.903  -5.553
   85   1H7C  CM0  34          H7        CM0  34  56.395 -19.135  -2.320
   86   2H7C  CM0  34          H8        CM0  34  55.639 -20.225  -3.525
   87    HA   CM0  34          2HO*      CM0  34  54.629 -15.598  -9.420
   88   1H5*    A  35          1H5*        A  35  53.404 -13.246  -8.883
   89   2H5*    A  35          2H5*        A  35  52.972 -11.682  -8.166
   90    H4*    A  35           H4*        A  35  51.215 -13.638  -8.447
   91    H3*    A  35           H3*        A  35  51.366 -11.639  -6.201
   92    H2*    A  35           H2*        A  35  49.527 -12.752  -5.146
   93   2HO*    A  35          2HO*        A  35  48.015 -13.495  -6.436
   94    H1*    A  35           H1*        A  35  50.342 -15.383  -5.880
   95    H8     A  35           H8         A  35  53.447 -14.270  -4.551
   96   1H6     A  35          H62         A  35  51.107 -14.441   1.179
   97   2H6     A  35          H61         A  35  52.573 -14.349   0.230
   98    H2     A  35           H2         A  35  47.694 -14.618  -1.725
   99   1H5*    C  36          1H5*        C  36  47.157 -11.695  -6.746
  100   2H5*    C  36          2H5*        C  36  47.014 -10.232  -7.741
  101    H4*    C  36           H4*        C  36  45.271  -9.840  -6.378
  102    H3*    C  36           H3*        C  36  47.617  -8.741  -4.857
  103    H2*    C  36           H2*        C  36  46.164  -8.276  -2.995
  104   2HO*    C  36          2HO*        C  36  43.801  -9.106  -3.610
  105    H1*    C  36           H1*        C  36  44.785 -10.712  -3.101
  106   1H4     C  36          H42         C  36  49.429 -11.808   1.076
  107   2H4     C  36          H41         C  36  50.561 -12.097  -0.225
  108    H5     C  36           H5         C  36  49.992 -11.781  -2.559
  109    H6     C  36           H6         C  36  48.225 -11.122  -4.109
  110   1H5*    A  37          1H5*        A  37  45.032  -5.424  -4.119
  111   2H5*    A  37          2H5*        A  37  46.131  -4.033  -4.214
  112    H4*    A  37           H4*        A  37  44.967  -4.662  -1.968
  113    H3*    A  37           H3*        A  37  47.773  -3.673  -2.325
  114    H2*    A  37           H2*        A  37  48.190  -3.978   0.025
  115   2HO*    A  37          2HO*        A  37  46.215  -4.878   1.233
  116    H1*    A  37           H1*        A  37  46.983  -6.483   0.220
  117    H8     A  37           H8         A  37  48.498  -6.872  -3.048
  118   1H6     A  37          H62         A  37  54.023  -7.522  -0.329
  119   2H6     A  37          H61         A  37  53.124  -7.715  -1.817
  120    H2     A  37           H2         A  37  51.153  -5.911   2.718
  121   1H5*    A  38          1H5*        A  38  46.082  -1.314   1.267
  122   2H5*    A  38          2H5*        A  38  46.805   0.272   0.938
  123    H4*    A  38           H4*        A  38  47.205  -0.890   3.219
  124    H3*    A  38           H3*        A  38  49.221   0.633   1.615
  125    H2*    A  38           H2*        A  38  50.960   0.024   3.165
  126   2HO*    A  38          2HO*        A  38  49.074   0.064   4.918
  127    H1*    A  38           H1*        A  38  50.271  -2.658   3.362
  128    H8     A  38           H8         A  38  49.482  -1.788  -0.159
  129   1H6     A  38          H62         A  38  55.493  -2.529  -1.442
  130   2H6     A  38          H61         A  38  53.894  -2.327  -2.123
  131    H2     A  38           H2         A  38  55.015  -2.497   3.018
  132   1H5*    G  39          1H5*        G  39  50.287   1.516   4.989
  133   2H5*    G  39          2H5*        G  39  50.703   3.204   5.344
  134    H4*    G  39           H4*        G  39  52.645   1.809   5.590
  135    H3*    G  39           H3*        G  39  52.756   3.709   3.255
  136    H2*    G  39           H2*        G  39  54.991   2.900   2.817
  137   2HO*    G  39          2HO*        G  39  54.649   1.626   5.346
  138    H1*    G  39           H1*        G  39  54.325   0.204   3.116
  139    H8     G  39           H8         G  39  51.344   1.609   1.487
  140    H1     G  39           H1         G  39  56.285   0.976  -2.555
  141   1H2     G  39          H22         G  39  58.141   0.628  -1.456
  142   2H2     G  39          H21         G  39  58.174   0.519   0.294
  143   1H5*    G  40          1H5*        G  40  56.266   4.020   5.078
  144   2H5*    G  40          2H5*        G  40  56.651   5.679   5.578
  145    H4*    G  40           H4*        G  40  58.560   4.889   4.484
  146    H3*    G  40           H3*        G  40  56.998   6.727   2.683
  147    H2*    G  40           H2*        G  40  58.703   6.410   1.006
  148   2HO*    G  40          2HO*        G  40  60.103   4.953   3.031
  149    H1*    G  40           H1*        G  40  58.880   3.644   1.352
  150    H8     G  40           H8         G  40  55.281   4.337   1.738
  151    H1     G  40           H1         G  40  57.213   4.470  -4.374
  152   1H2     G  40          H22         G  40  59.399   4.599  -4.469
  153   2H2     G  40          H21         G  40  60.403   4.610  -3.030
  154   1H5*    A  41          1H5*        A  41  60.960   7.608   2.583
  155   2H5*    A  41          2H5*        A  41  61.325   9.331   2.794
  156    H4*    A  41           H4*        A  41  62.561   8.537   0.928
  157    H3*    A  41           H3*        A  41  60.268  10.321   0.143
  158    H2*    A  41           H2*        A  41  60.940  10.060  -2.161
  159   2HO*    A  41          2HO*        A  41  63.223   8.773  -1.021
  160    H1*    A  41           H1*        A  41  61.316   7.298  -2.002
  161    H8     A  41           H8         A  41  58.354   7.972   0.145
  162   1H6     A  41          H62         A  41  54.968   8.163  -5.014
  163   2H6     A  41          H61         A  41  54.928   8.228  -3.259
  164    H2     A  41           H2         A  41  59.287   8.129  -6.201
  165   1H5*    G  42          1H5*        G  42  63.359  11.440  -2.120
  166   2H5*    G  42          2H5*        G  42  63.735  13.161  -1.917
  167    H4*    G  42           H4*        G  42  63.672  12.780  -4.228
  168    H3*    G  42           H3*        G  42  61.144  14.143  -3.318
  169    H2*    G  42           H2*        G  42  60.444  14.185  -5.628
  170   2HO*    G  42          2HO*        G  42  63.117  13.304  -6.129
  171    H1*    G  42           H1*        G  42  61.235  11.545  -6.159
  172    H8     G  42           H8         G  42  59.822  11.415  -2.754
  173    H1     G  42           H1         G  42  55.328  11.849  -7.313
  174   1H2     G  42          H22         G  42  56.237  12.361  -9.234
  175   2H2     G  42          H21         G  42  57.967  12.620  -9.396
  176   1H5*    G  43          1H5*        G  43  62.359  15.996  -6.684
  177   2H5*    G  43          2H5*        G  43  62.490  17.751  -6.458
  178    H4*    G  43           H4*        G  43  61.257  17.390  -8.438
  179    H3*    G  43           H3*        G  43  59.491  18.281  -6.168
  180    H2*    G  43           H2*        G  43  57.626  18.233  -7.693
  181   2HO*    G  43          2HO*        G  43  59.678  17.950  -9.658
  182    H1*    G  43           H1*        G  43  58.387  15.812  -8.924
  183    H8     G  43           H8         G  43  59.019  15.313  -5.315
  184    H1     G  43           H1         G  43  52.802  14.921  -6.863
  185   1H2     G  43          H22         G  43  52.475  15.691  -8.902
  186   2H2     G  43          H21         G  43  53.798  16.289  -9.883
  187    H3T    G  43           H3T        G  43  60.066  19.665  -8.502
  Start of MODEL    6
    1   1H5*    C  27          1H5*        C  27  44.330  14.278  -8.161
    2   2H5*    C  27          2H5*        C  27  44.150  12.720  -8.987
    3    H4*    C  27           H4*        C  27  45.352  14.054 -10.469
    4    H3*    C  27           H3*        C  27  47.183  12.151  -9.039
    5    H2*    C  27           H2*        C  27  49.037  13.085 -10.263
    6   2HO*    C  27          2HO*        C  27  48.653  13.830 -12.215
    7    H1*    C  27           H1*        C  27  48.285  15.745  -9.908
    8   1H4     C  27          H42         C  27  52.250  14.448  -5.097
    9   2H4     C  27          H41         C  27  50.878  14.000  -4.109
   10    H5     C  27           H5         C  27  48.626  13.850  -4.970
   11    H6     C  27           H6         C  27  47.224  14.119  -6.948
   12    H5T    C  27           H5T        C  27  45.829  11.898  -7.741
   13   1H5*    C  28          1H5*        C  28  48.244  12.017 -12.895
   14   2H5*    C  28          2H5*        C  28  48.205  10.380 -13.579
   15    H4*    C  28           H4*        C  28  50.274  11.256 -14.201
   16    H3*    C  28           H3*        C  28  50.628   9.402 -11.854
   17    H2*    C  28           H2*        C  28  53.000   9.825 -11.998
   18   2HO*    C  28          2HO*        C  28  53.818  10.292 -13.901
   19    H1*    C  28           H1*        C  28  52.728  12.584 -12.310
   20   1H4     C  28          H42         C  28  53.458  11.646  -6.063
   21   2H4     C  28          H41         C  28  51.712  11.575  -5.888
   22    H5     C  28           H5         C  28  50.209  11.559  -7.765
   23    H6     C  28           H6         C  28  50.049  11.658 -10.197
   24   1H5*    U  29          1H5*        U  29  53.434   8.483 -14.653
   25   2H5*    U  29          2H5*        U  29  53.510   6.749 -15.017
   26    H4*    U  29           H4*        U  29  55.719   7.516 -14.637
   27    H3*    U  29           H3*        U  29  54.704   5.831 -12.355
   28    H2*    U  29           H2*        U  29  56.850   6.114 -11.302
   29   2HO*    U  29          2HO*        U  29  58.579   6.541 -12.461
   30    H1*    U  29           H1*        U  29  57.031   8.847 -11.829
   31    H3     U  29           H3         U  29  56.240   8.098  -7.355
   32    H5     U  29           H5         U  29  52.485   8.531  -9.200
   33    H6     U  29           H6         U  29  53.601   8.364 -11.322
   34   1H5*    C  30          1H5*        C  30  58.559   4.775 -13.205
   35   2H5*    C  30          2H5*        C  30  58.718   3.020 -13.413
   36    H4*    C  30           H4*        C  30  60.435   3.802 -11.936
   37    H3*    C  30           H3*        C  30  58.330   2.114 -10.609
   38    H2*    C  30           H2*        C  30  59.524   2.367  -8.527
   39   2HO*    C  30          2HO*        C  30  61.623   2.724  -8.545
   40    H1*    C  30           H1*        C  30  59.983   5.105  -8.814
   41   1H4     C  30          H42         C  30  54.596   4.454  -5.472
   42   2H4     C  30          H41         C  30  53.673   4.546  -6.954
   43    H5     C  30           H5         C  30  54.710   4.607  -9.137
   44    H6     C  30           H6         C  30  56.836   4.616 -10.332
   45   1H5*    C  31          1H5*        C  31  61.877   0.962  -9.232
   46   2H5*    C  31          2H5*        C  31  62.225  -0.749  -9.547
   47    H4*    C  31           H4*        C  31  62.811  -0.430  -7.320
   48    H3*    C  31           H3*        C  31  60.117  -1.747  -7.510
   49    H2*    C  31           H2*        C  31  59.975  -1.742  -5.110
   50   2HO*    C  31          2HO*        C  31  62.466  -2.148  -5.142
   51    H1*    C  31           H1*        C  31  61.020   0.847  -4.773
   52   1H4     C  31          H42         C  31  54.689   1.436  -4.624
   53   2H4     C  31          H41         C  31  54.660   1.630  -6.362
   54    H5     C  31           H5         C  31  56.647   1.399  -7.736
   55    H6     C  31           H6         C  31  59.029   0.885  -7.720
   56   1H5*    C  32          1H5*        C  32  61.445  -3.320  -4.059
   57   2H5*    C  32          2H5*        C  32  61.934  -4.954  -4.549
   58    H4*    C  32           H4*        C  32  60.704  -4.931  -2.434
   59    H3*    C  32           H3*        C  32  59.592  -6.466  -4.752
   60    H2*    C  32           H2*        C  32  57.655  -7.062  -3.454
   61   2HO*    C  32          2HO*        C  32  57.931  -7.286  -1.360
   62    H1*    C  32           H1*        C  32  57.199  -4.528  -2.413
   63   1H4     C  32          H42         C  32  53.829  -4.471  -7.785
   64   2H4     C  32          H41         C  32  55.270  -4.125  -8.715
   65    H5     C  32           H5         C  32  57.485  -4.060  -7.734
   66    H6     C  32           H6         C  32  58.759  -4.319  -5.670
   67   1H5*    U  33          1H5*        U  33  59.592  -9.493  -0.873
   68   2H5*    U  33          2H5*        U  33  60.486 -10.710  -1.805
   69    H4*    U  33           H4*        U  33  58.667 -11.722  -0.576
   70    H3*    U  33           H3*        U  33  58.541 -11.820  -3.565
   71    H2*    U  33           H2*        U  33  56.400 -12.912  -3.463
   72   2HO*    U  33          2HO*        U  33  56.803 -13.004  -0.630
   73    H1*    U  33           H1*        U  33  55.306 -11.254  -1.517
   74    H3     U  33           H3         U  33  53.304  -9.803  -5.296
   75    H5     U  33           H5         U  33  57.161  -8.150  -5.463
   76    H6     U  33           H6         U  33  57.727  -9.470  -3.531
   77   1H5*  CM0  34          1H5*      CM0  34  57.501 -16.185  -2.685
   78   2H5*  CM0  34          2H5*      CM0  34  58.810 -16.887  -3.656
   79    H4*  CM0  34           H4*      CM0  34  57.447 -17.315  -5.455
   80    H3*  CM0  34           H3*      CM0  34  55.640 -15.110  -4.507
   81    H1*  CM0  34           H1*      CM0  34  54.549 -18.835  -4.676
   82    H2*  CM0  34           H2*      CM0  34  53.768 -16.251  -5.488
   83    H6   CM0  34           H6       CM0  34  55.455 -16.923  -1.914
   84    H3   CM0  34           H3       CM0  34  50.744 -17.461  -2.465
   85   1H7C  CM0  34          H7        CM0  34  55.863 -17.454   0.683
   86   2H7C  CM0  34          H8        CM0  34  54.349 -18.347   1.029
   87    HA   CM0  34          2HO*      CM0  34  54.023 -17.728  -7.065
   88   1H5*    A  35          1H5*        A  35  53.745 -12.128  -5.974
   89   2H5*    A  35          2H5*        A  35  53.817 -13.345  -4.685
   90    H4*    A  35           H4*        A  35  51.823 -13.842  -6.789
   91    H3*    A  35           H3*        A  35  51.689 -11.250  -6.178
   92    H2*    A  35           H2*        A  35  51.687 -11.469  -3.769
   93   2HO*    A  35          2HO*        A  35  49.000 -12.000  -3.800
   94    H1*    A  35           H1*        A  35  49.725 -13.797  -3.998
   95    H8     A  35           H8         A  35  53.204 -14.209  -2.618
   96   1H6     A  35          H62         A  35  50.621 -14.070   3.007
   97   2H6     A  35          H61         A  35  52.092 -14.375   2.112
   98    H2     A  35           H2         A  35  47.486 -12.937   0.008
   99   1H5*    C  36          1H5*        C  36  47.475 -11.778  -4.841
  100   2H5*    C  36          2H5*        C  36  46.657 -11.250  -6.324
  101    H4*    C  36           H4*        C  36  45.509  -9.740  -5.201
  102    H3*    C  36           H3*        C  36  48.185  -8.632  -4.400
  103    H2*    C  36           H2*        C  36  47.102  -7.331  -2.693
  104   2HO*    C  36          2HO*        C  36  44.905  -7.818  -4.329
  105    H1*    C  36           H1*        C  36  45.378  -9.378  -1.837
  106   1H4     C  36          H42         C  36  50.237  -9.933   2.182
  107   2H4     C  36          H41         C  36  51.264 -10.582   0.922
  108    H5     C  36           H5         C  36  50.551 -10.774  -1.386
  109    H6     C  36           H6         C  36  48.718 -10.381  -2.946
  110   1H5*    A  37          1H5*        A  37  45.398  -5.658  -4.021
  111   2H5*    A  37          2H5*        A  37  46.161  -4.069  -4.239
  112    H4*    A  37           H4*        A  37  45.248  -4.781  -1.914
  113    H3*    A  37           H3*        A  37  47.773  -3.270  -2.463
  114    H2*    A  37           H2*        A  37  48.365  -3.364  -0.131
  115   2HO*    A  37          2HO*        A  37  46.115  -3.055   0.567
  116    H1*    A  37           H1*        A  37  47.755  -6.047   0.232
  117    H8     A  37           H8         A  37  49.048  -5.919  -3.237
  118   1H6     A  37          H62         A  37  54.768  -5.942  -0.866
  119   2H6     A  37          H61         A  37  53.819  -6.106  -2.326
  120    H2     A  37           H2         A  37  51.877  -5.214   2.483
  121   1H5*    A  38          1H5*        A  38  45.776  -1.025   1.074
  122   2H5*    A  38          2H5*        A  38  46.481   0.589   0.853
  123    H4*    A  38           H4*        A  38  46.920  -0.680   3.045
  124    H3*    A  38           H3*        A  38  48.968   0.843   1.477
  125    H2*    A  38           H2*        A  38  50.690   0.128   3.003
  126   2HO*    A  38          2HO*        A  38  50.182  -0.352   5.017
  127    H1*    A  38           H1*        A  38  49.905  -2.536   3.112
  128    H8     A  38           H8         A  38  49.270  -1.182  -0.355
  129   1H6     A  38          H62         A  38  55.113  -2.766  -1.654
  130   2H6     A  38          H61         A  38  53.596  -2.206  -2.321
  131    H2     A  38           H2         A  38  54.494  -3.229   2.764
  132   1H5*    G  39          1H5*        G  39  50.096   1.632   4.846
  133   2H5*    G  39          2H5*        G  39  50.482   3.318   5.240
  134    H4*    G  39           H4*        G  39  52.456   1.990   5.465
  135    H3*    G  39           H3*        G  39  52.511   3.864   3.109
  136    H2*    G  39           H2*        G  39  54.757   3.093   2.657
  137   2HO*    G  39          2HO*        G  39  54.475   1.745   5.162
  138    H1*    G  39           H1*        G  39  54.151   0.387   3.004
  139    H8     G  39           H8         G  39  51.135   1.723   1.372
  140    H1     G  39           H1         G  39  56.060   1.082  -2.690
  141   1H2     G  39          H22         G  39  57.926   0.774  -1.594
  142   2H2     G  39          H21         G  39  57.967   0.692   0.158
  143   1H5*    G  40          1H5*        G  40  56.033   4.275   4.933
  144   2H5*    G  40          2H5*        G  40  56.397   5.955   5.372
  145    H4*    G  40           H4*        G  40  58.306   5.131   4.290
  146    H3*    G  40           H3*        G  40  56.736   6.926   2.451
  147    H2*    G  40           H2*        G  40  58.455   6.585   0.796
  148   2HO*    G  40          2HO*        G  40  59.841   5.158   2.851
  149    H1*    G  40           H1*        G  40  58.630   3.828   1.197
  150    H8     G  40           H8         G  40  55.030   4.505   1.541
  151    H1     G  40           H1         G  40  57.010   4.585  -4.557
  152   1H2     G  40          H22         G  40  59.197   4.734  -4.640
  153   2H2     G  40          H21         G  40  60.185   4.776  -3.192
  154   1H5*    A  41          1H5*        A  41  60.709   7.789   2.360
  155   2H5*    A  41          2H5*        A  41  61.075   9.519   2.500
  156    H4*    A  41           H4*        A  41  62.321   8.615   0.680
  157    H3*    A  41           H3*        A  41  60.083  10.436  -0.175
  158    H2*    A  41           H2*        A  41  60.776  10.097  -2.463
  159   2HO*    A  41          2HO*        A  41  62.987   8.696  -1.309
  160    H1*    A  41           H1*        A  41  61.070   7.332  -2.226
  161    H8     A  41           H8         A  41  58.110   8.118  -0.128
  162   1H6     A  41          H62         A  41  54.778   8.307  -5.331
  163   2H6     A  41          H61         A  41  54.711   8.388  -3.579
  164    H2     A  41           H2         A  41  59.102   8.142  -6.470
  165   1H5*    G  42          1H5*        G  42  63.275  11.399  -2.420
  166   2H5*    G  42          2H5*        G  42  63.684  13.119  -2.263
  167    H4*    G  42           H4*        G  42  63.675  12.640  -4.563
  168    H3*    G  42           H3*        G  42  61.192  14.146  -3.760
  169    H2*    G  42           H2*        G  42  60.527  14.124  -6.078
  170   2HO*    G  42          2HO*        G  42  63.112  13.000  -6.564
  171    H1*    G  42           H1*        G  42  61.208  11.436  -6.498
  172    H8     G  42           H8         G  42  59.759  11.492  -3.107
  173    H1     G  42           H1         G  42  55.331  11.925  -7.729
  174   1H2     G  42          H22         G  42  56.282  12.335  -9.664
  175   2H2     G  42          H21         G  42  58.022  12.532  -9.805
  176   1H5*    G  43          1H5*        G  43  62.552  15.803  -7.178
  177   2H5*    G  43          2H5*        G  43  62.751  17.560  -7.025
  178    H4*    G  43           H4*        G  43  61.539  17.152  -9.013
  179    H3*    G  43           H3*        G  43  59.781  18.235  -6.822
  180    H2*    G  43           H2*        G  43  57.940  18.196  -8.374
  181   2HO*    G  43          2HO*        G  43  59.935  17.574 -10.329
  182    H1*    G  43           H1*        G  43  58.605  15.684  -9.471
  183    H8     G  43           H8         G  43  59.164  15.335  -5.834
  184    H1     G  43           H1         G  43  52.956  15.136  -7.452
  185   1H2     G  43          H22         G  43  52.686  15.837  -9.523
  186   2H2     G  43          H21         G  43  54.045  16.334 -10.514
  187    H3T    G  43           H3T        G  43  60.701  19.911  -7.478
  Start of MODEL    7
    1   1H5*    C  27          1H5*        C  27  44.044  13.015  -7.179
    2   2H5*    C  27          2H5*        C  27  43.966  11.486  -8.076
    3    H4*    C  27           H4*        C  27  44.995  12.988  -9.529
    4    H3*    C  27           H3*        C  27  47.032  11.184  -8.256
    5    H2*    C  27           H2*        C  27  48.754  12.329  -9.492
    6   2HO*    C  27          2HO*        C  27  48.237  13.129 -11.391
    7    H1*    C  27           H1*        C  27  47.795  14.896  -8.981
    8   1H4     C  27          H42         C  27  52.028  13.722  -4.371
    9   2H4     C  27          H41         C  27  50.735  13.113  -3.361
   10    H5     C  27           H5         C  27  48.473  12.810  -4.156
   11    H6     C  27           H6         C  27  46.982  13.051  -6.073
   12    H5T    C  27           H5T        C  27  44.736  11.337  -5.858
   13   1H5*    C  28          1H5*        C  28  47.957  11.320 -12.143
   14   2H5*    C  28          2H5*        C  28  48.029   9.720 -12.907
   15    H4*    C  28           H4*        C  28  49.995  10.796 -13.550
   16    H3*    C  28           H3*        C  28  50.588   8.873 -11.308
   17    H2*    C  28           H2*        C  28  52.908   9.502 -11.509
   18   2HO*    C  28          2HO*        C  28  53.615  10.130 -13.412
   19    H1*    C  28           H1*        C  28  52.394  12.240 -11.677
   20   1H4     C  28          H42         C  28  53.432  11.083  -5.510
   21   2H4     C  28          H41         C  28  51.706  10.854  -5.283
   22    H5     C  28           H5         C  28  50.140  10.795  -7.107
   23    H6     C  28           H6         C  28  49.883  10.992  -9.524
   24   1H5*    U  29          1H5*        U  29  53.358   8.331 -14.240
   25   2H5*    U  29          2H5*        U  29  53.567   6.629 -14.692
   26    H4*    U  29           H4*        U  29  55.716   7.565 -14.345
   27    H3*    U  29           H3*        U  29  54.932   5.694 -12.118
   28    H2*    U  29           H2*        U  29  57.083   6.113 -11.122
   29   2HO*    U  29          2HO*        U  29  58.726   6.742 -12.315
   30    H1*    U  29           H1*        U  29  57.012   8.873 -11.520
   31    H3     U  29           H3         U  29  56.451   7.848  -7.064
   32    H5     U  29           H5         U  29  52.608   8.041  -8.764
   33    H6     U  29           H6         U  29  53.656   8.071 -10.926
   34   1H5*    C  30          1H5*        C  30  58.829   5.017 -13.145
   35   2H5*    C  30          2H5*        C  30  59.130   3.294 -13.444
   36    H4*    C  30           H4*        C  30  60.827   4.155 -11.987
   37    H3*    C  30           H3*        C  30  58.928   2.228 -10.678
   38    H2*    C  30           H2*        C  30  60.172   2.486  -8.628
   39   2HO*    C  30          2HO*        C  30  62.231   3.024  -8.700
   40    H1*    C  30           H1*        C  30  60.382   5.264  -8.792
   41   1H4     C  30          H42         C  30  55.198   3.988  -5.311
   42   2H4     C  30          H41         C  30  54.217   4.069  -6.754
   43    H5     C  30           H5         C  30  55.164   4.322  -8.965
   44    H6     C  30           H6         C  30  57.233   4.575 -10.228
   45   1H5*    C  31          1H5*        C  31  62.614   1.327  -9.480
   46   2H5*    C  31          2H5*        C  31  63.093  -0.331  -9.893
   47    H4*    C  31           H4*        C  31  63.732  -0.062  -7.672
   48    H3*    C  31           H3*        C  31  61.158  -1.606  -7.843
   49    H2*    C  31           H2*        C  31  61.099  -1.725  -5.443
   50   2HO*    C  31          2HO*        C  31  62.949  -1.807  -4.401
   51    H1*    C  31           H1*        C  31  61.931   0.927  -5.009
   52   1H4     C  31          H42         C  31  55.584   0.956  -4.617
   53   2H4     C  31          H41         C  31  55.474   1.227  -6.343
   54    H5     C  31           H5         C  31  57.419   1.234  -7.793
   55    H6     C  31           H6         C  31  59.837   0.930  -7.882
   56   1H5*    C  32          1H5*        C  32  62.253  -3.568  -4.595
   57   2H5*    C  32          2H5*        C  32  62.305  -5.258  -5.136
   58    H4*    C  32           H4*        C  32  60.696  -4.607  -3.245
   59    H3*    C  32           H3*        C  32  60.014  -6.376  -5.562
   60    H2*    C  32           H2*        C  32  57.735  -6.525  -4.788
   61   2HO*    C  32          2HO*        C  32  57.330  -5.183  -2.748
   62    H1*    C  32           H1*        C  32  57.422  -3.814  -4.293
   63   1H4     C  32          H42         C  32  55.672  -4.386 -10.367
   64   2H4     C  32          H41         C  32  57.345  -4.315 -10.877
   65    H5     C  32           H5         C  32  59.195  -4.274  -9.312
   66    H6     C  32           H6         C  32  59.811  -4.292  -6.952
   67   1H5*    U  33          1H5*        U  33  59.030  -9.261  -1.766
   68   2H5*    U  33          2H5*        U  33  59.463 -10.757  -2.617
   69    H4*    U  33           H4*        U  33  57.172 -10.660  -1.550
   70    H3*    U  33           H3*        U  33  57.617 -11.510  -4.392
   71    H2*    U  33           H2*        U  33  55.235 -11.776  -4.670
   72   2HO*    U  33          2HO*        U  33  54.885 -12.637  -2.520
   73    H1*    U  33           H1*        U  33  54.546  -9.365  -3.473
   74    H3     U  33           H3         U  33  54.057  -8.688  -7.944
   75    H5     U  33           H5         U  33  58.143  -8.087  -7.183
   76    H6     U  33           H6         U  33  57.772  -8.916  -4.954
   77   1H5*  CM0  34          1H5*      CM0  34  56.973 -16.680  -3.560
   78   2H5*  CM0  34          2H5*      CM0  34  58.053 -16.396  -4.939
   79    H4*  CM0  34           H4*      CM0  34  56.507 -17.084  -6.348
   80    H3*  CM0  34           H3*      CM0  34  54.844 -14.863  -5.214
   81    H1*  CM0  34           H1*      CM0  34  53.479 -18.488  -5.448
   82    H2*  CM0  34           H2*      CM0  34  52.865 -15.852  -6.153
   83    H6   CM0  34           H6       CM0  34  54.810 -16.892  -2.698
   84    H3   CM0  34           H3       CM0  34  50.045 -16.709  -2.892
   85   1H7C  CM0  34          H7        CM0  34  54.832 -18.024   0.280
   86   2H7C  CM0  34          H8        CM0  34  53.055 -18.222   0.393
   87    HA   CM0  34          2HO*      CM0  34  53.643 -16.499  -8.159
   88   1H5*    A  35          1H5*        A  35  52.917 -12.778  -8.346
   89   2H5*    A  35          2H5*        A  35  52.961 -11.384  -7.250
   90    H4*    A  35           H4*        A  35  50.949 -13.340  -7.517
   91    H3*    A  35           H3*        A  35  51.299 -10.987  -5.672
   92    H2*    A  35           H2*        A  35  49.490 -11.816  -4.340
   93   2HO*    A  35          2HO*        A  35  49.001 -13.454  -6.622
   94    H1*    A  35           H1*        A  35  50.187 -14.559  -4.603
   95    H8     A  35           H8         A  35  53.409 -13.368  -3.726
   96   1H6     A  35          H62         A  35  51.505 -12.267   2.062
   97   2H6     A  35          H61         A  35  52.898 -12.444   1.020
   98    H2     A  35           H2         A  35  47.878 -12.846  -0.511
   99   1H5*    C  36          1H5*        C  36  46.705 -10.889  -6.401
  100   2H5*    C  36          2H5*        C  36  46.774  -9.314  -7.216
  101    H4*    C  36           H4*        C  36  45.014  -9.203  -5.658
  102    H3*    C  36           H3*        C  36  47.434  -7.641  -4.840
  103    H2*    C  36           H2*        C  36  46.383  -7.056  -2.755
  104   2HO*    C  36          2HO*        C  36  44.234  -7.158  -2.498
  105    H1*    C  36           H1*        C  36  45.420  -9.597  -2.173
  106   1H4     C  36          H42         C  36  51.161  -9.646   0.517
  107   2H4     C  36          H41         C  36  51.917  -9.933  -1.034
  108    H5     C  36           H5         C  36  50.681  -9.962  -3.116
  109    H6     C  36           H6         C  36  48.475  -9.720  -4.128
  110   1H5*    A  37          1H5*        A  37  44.236  -4.727  -3.918
  111   2H5*    A  37          2H5*        A  37  45.084  -3.179  -4.096
  112    H4*    A  37           H4*        A  37  44.240  -3.761  -1.789
  113    H3*    A  37           H3*        A  37  47.040  -2.853  -2.337
  114    H2*    A  37           H2*        A  37  47.616  -3.162  -0.019
  115   2HO*    A  37          2HO*        A  37  44.922  -2.865   0.262
  116    H1*    A  37           H1*        A  37  46.420  -5.650   0.259
  117    H8     A  37           H8         A  37  47.914  -5.003  -3.203
  118   1H6     A  37          H62         A  37  53.029  -7.717  -1.007
  119   2H6     A  37          H61         A  37  52.250  -7.061  -2.429
  120    H2     A  37           H2         A  37  50.146  -7.221   2.393
  121   1H5*    A  38          1H5*        A  38  46.016  -0.643   1.176
  122   2H5*    A  38          2H5*        A  38  47.079   0.778   1.208
  123    H4*    A  38           H4*        A  38  47.389  -1.084   2.966
  124    H3*    A  38           H3*        A  38  49.604   0.313   1.501
  125    H2*    A  38           H2*        A  38  51.211  -1.100   2.608
  126   2HO*    A  38          2HO*        A  38  50.316  -2.681   4.183
  127    H1*    A  38           H1*        A  38  49.801  -3.476   2.234
  128    H8     A  38           H8         A  38  49.132  -1.612  -0.881
  129   1H6     A  38          H62         A  38  54.715  -3.376  -2.897
  130   2H6     A  38          H61         A  38  53.186  -2.656  -3.353
  131    H2     A  38           H2         A  38  54.461  -4.300   1.483
  132   1H5*    G  39          1H5*        G  39  51.323   0.287   4.820
  133   2H5*    G  39          2H5*        G  39  51.580   1.897   5.519
  134    H4*    G  39           H4*        G  39  53.671   0.847   5.553
  135    H3*    G  39           H3*        G  39  53.509   2.823   3.289
  136    H2*    G  39           H2*        G  39  55.794   2.266   2.737
  137   2HO*    G  39          2HO*        G  39  55.720   0.729   5.149
  138    H1*    G  39           H1*        G  39  55.429  -0.493   2.961
  139    H8     G  39           H8         G  39  52.248   0.660   1.504
  140    H1     G  39           H1         G  39  57.053   0.636  -2.749
  141   1H2     G  39          H22         G  39  58.978   0.434  -1.735
  142   2H2     G  39          H21         G  39  59.093   0.274   0.010
  143   1H5*    G  40          1H5*        G  40  57.031   3.438   5.012
  144   2H5*    G  40          2H5*        G  40  57.275   5.117   5.536
  145    H4*    G  40           H4*        G  40  59.202   4.525   4.345
  146    H3*    G  40           H3*        G  40  57.413   6.261   2.654
  147    H2*    G  40           H2*        G  40  59.091   6.154   0.926
  148   2HO*    G  40          2HO*        G  40  60.672   4.757   2.859
  149    H1*    G  40           H1*        G  40  59.520   3.404   1.180
  150    H8     G  40           H8         G  40  55.888   3.747   1.678
  151    H1     G  40           H1         G  40  57.626   4.285  -4.471
  152   1H2     G  40          H22         G  40  59.786   4.629  -4.618
  153   2H2     G  40          H21         G  40  60.821   4.689  -3.201
  154   1H5*    A  41          1H5*        A  41  61.292   7.472   2.473
  155   2H5*    A  41          2H5*        A  41  61.511   9.219   2.688
  156    H4*    A  41           H4*        A  41  62.760   8.515   0.784
  157    H3*    A  41           H3*        A  41  60.344  10.172   0.097
  158    H2*    A  41           H2*        A  41  60.977  10.005  -2.227
  159   2HO*    A  41          2HO*        A  41  63.353   8.797  -1.189
  160    H1*    A  41           H1*        A  41  61.518   7.267  -2.141
  161    H8     A  41           H8         A  41  58.579   7.689   0.090
  162   1H6     A  41          H62         A  41  55.053   7.837  -4.985
  163   2H6     A  41          H61         A  41  55.045   7.827  -3.229
  164    H2     A  41           H2         A  41  59.330   8.102  -6.270
  165   1H5*    G  42          1H5*        G  42  63.362  11.516  -2.201
  166   2H5*    G  42          2H5*        G  42  63.623  13.255  -1.971
  167    H4*    G  42           H4*        G  42  63.575  12.883  -4.292
  168    H3*    G  42           H3*        G  42  61.005  14.130  -3.335
  169    H2*    G  42           H2*        G  42  60.260  14.157  -5.629
  170   2HO*    G  42          2HO*        G  42  62.912  13.286  -6.254
  171    H1*    G  42           H1*        G  42  61.149  11.562  -6.203
  172    H8     G  42           H8         G  42  59.825  11.336  -2.767
  173    H1     G  42           H1         G  42  55.211  11.595  -7.217
  174   1H2     G  42          H22         G  42  56.054  12.176  -9.162
  175   2H2     G  42          H21         G  42  57.765  12.528  -9.347
  176   1H5*    G  43          1H5*        G  43  62.096  16.052  -6.710
  177   2H5*    G  43          2H5*        G  43  62.152  17.810  -6.479
  178    H4*    G  43           H4*        G  43  60.908  17.392  -8.446
  179    H3*    G  43           H3*        G  43  59.144  18.217  -6.149
  180    H2*    G  43           H2*        G  43  57.259  18.093  -7.642
  181   2HO*    G  43          2HO*        G  43  59.228  17.731  -9.688
  182    H1*    G  43           H1*        G  43  58.092  15.699  -8.880
  183    H8     G  43           H8         G  43  58.810  15.236  -5.284
  184    H1     G  43           H1         G  43  52.587  14.577  -6.708
  185   1H2     G  43          H22         G  43  52.186  15.343  -8.735
  186   2H2     G  43          H21         G  43  53.457  16.000  -9.743
  187    H3T    G  43           H3T        G  43  60.434  19.395  -8.303
  Start of MODEL    8
    1   1H5*    C  27          1H5*        C  27  43.802  13.365  -8.065
    2   2H5*    C  27          2H5*        C  27  43.729  11.833  -8.955
    3    H4*    C  27           H4*        C  27  44.755  13.324 -10.416
    4    H3*    C  27           H3*        C  27  46.801  11.545  -9.123
    5    H2*    C  27           H2*        C  27  48.518  12.689 -10.367
    6   2HO*    C  27          2HO*        C  27  47.998  13.466 -12.275
    7    H1*    C  27           H1*        C  27  47.540  15.253  -9.880
    8   1H4     C  27          H42         C  27  51.780  14.136  -5.263
    9   2H4     C  27          H41         C  27  50.490  13.530  -4.246
   10    H5     C  27           H5         C  27  48.228  13.213  -5.038
   11    H6     C  27           H6         C  27  46.738  13.430  -6.957
   12    H5T    C  27           H5T        C  27  45.041  12.457  -6.646
   13   1H5*    C  28          1H5*        C  28  47.728  11.660 -13.024
   14   2H5*    C  28          2H5*        C  28  47.807  10.051 -13.769
   15    H4*    C  28           H4*        C  28  49.761  11.136 -14.436
   16    H3*    C  28           H3*        C  28  50.375   9.232 -12.185
   17    H2*    C  28           H2*        C  28  52.690   9.876 -12.389
   18   2HO*    C  28          2HO*        C  28  53.394  10.494 -14.296
   19    H1*    C  28           H1*        C  28  52.163  12.611 -12.574
   20   1H4     C  28          H42         C  28  53.186  11.494  -6.396
   21   2H4     C  28          H41         C  28  51.458  11.263  -6.175
   22    H5     C  28           H5         C  28  49.901  11.185  -8.003
   23    H6     C  28           H6         C  28  49.653  11.362 -10.422
   24   1H5*    U  29          1H5*        U  29  53.160   8.688 -15.107
   25   2H5*    U  29          2H5*        U  29  53.362   6.982 -15.550
   26    H4*    U  29           H4*        U  29  55.516   7.906 -15.205
   27    H3*    U  29           H3*        U  29  54.711   6.062 -12.962
   28    H2*    U  29           H2*        U  29  56.860   6.474 -11.962
   29   2HO*    U  29          2HO*        U  29  58.513   7.067 -13.155
   30    H1*    U  29           H1*        U  29  56.815   9.232 -12.390
   31    H3     U  29           H3         U  29  56.238   8.271  -7.925
   32    H5     U  29           H5         U  29  52.400   8.443  -9.633
   33    H6     U  29           H6         U  29  53.450   8.451 -11.794
   34   1H5*    C  30          1H5*        C  30  58.611   5.337 -13.952
   35   2H5*    C  30          2H5*        C  30  58.889   3.608 -14.235
   36    H4*    C  30           H4*        C  30  60.585   4.454 -12.769
   37    H3*    C  30           H3*        C  30  58.643   2.573 -11.457
   38    H2*    C  30           H2*        C  30  59.869   2.833  -9.396
   39   2HO*    C  30          2HO*        C  30  61.937   3.334  -9.454
   40    H1*    C  30           H1*        C  30  60.129   5.604  -9.589
   41   1H4     C  30          H42         C  30  54.895   4.459  -6.144
   42   2H4     C  30          H41         C  30  53.926   4.540  -7.599
   43    H5     C  30           H5         C  30  54.898   4.748  -9.801
   44    H6     C  30           H6         C  30  56.983   4.947 -11.049
   45   1H5*    C  31          1H5*        C  31  62.357   1.563 -10.219
   46   2H5*    C  31          2H5*        C  31  62.732  -0.133 -10.581
   47    H4*    C  31           H4*        C  31  63.372   0.196  -8.355
   48    H3*    C  31           H3*        C  31  60.759  -1.281  -8.527
   49    H2*    C  31           H2*        C  31  60.680  -1.352  -6.125
   50   2HO*    C  31          2HO*        C  31  63.140  -1.667  -6.153
   51    H1*    C  31           H1*        C  31  61.568   1.289  -5.740
   52   1H4     C  31          H42         C  31  55.219   1.429  -5.416
   53   2H4     C  31          H41         C  31  55.129   1.682  -7.146
   54    H5     C  31           H5         C  31  57.092   1.638  -8.573
   55    H6     C  31           H6         C  31  59.503   1.291  -8.632
   56   1H5*    C  32          1H5*        C  32  62.060  -3.056  -5.343
   57   2H5*    C  32          2H5*        C  32  62.155  -4.791  -5.700
   58    H4*    C  32           H4*        C  32  60.693  -3.905  -3.727
   59    H3*    C  32           H3*        C  32  60.054  -6.164  -5.586
   60    H2*    C  32           H2*        C  32  57.870  -6.388  -4.599
   61   2HO*    C  32          2HO*        C  32  58.706  -4.398  -2.723
   62    H1*    C  32           H1*        C  32  57.273  -3.674  -4.563
   63   1H4     C  32          H42         C  32  55.100  -5.535 -10.224
   64   2H4     C  32          H41         C  32  56.710  -5.442 -10.900
   65    H5     C  32           H5         C  32  58.671  -4.953  -9.565
   66    H6     C  32           H6         C  32  59.481  -4.464  -7.316
   67   1H5*    U  33          1H5*        U  33  58.597  -7.576  -1.423
   68   2H5*    U  33          2H5*        U  33  59.770  -8.903  -1.311
   69    H4*    U  33           H4*        U  33  57.542  -9.582  -0.597
   70    H3*    U  33           H3*        U  33  58.783 -10.957  -2.946
   71    H2*    U  33           H2*        U  33  56.789 -12.263  -3.276
   72   2HO*    U  33          2HO*        U  33  55.947 -11.109  -0.797
   73    H1*    U  33           H1*        U  33  54.996 -10.164  -2.990
   74    H3     U  33           H3         U  33  55.240 -11.074  -7.451
   75    H5     U  33           H5         U  33  58.405  -8.425  -6.670
   76    H6     U  33           H6         U  33  57.956  -8.704  -4.322
   77   1H5*  CM0  34          1H5*      CM0  34  57.425 -14.896   0.142
   78   2H5*  CM0  34          2H5*      CM0  34  59.015 -15.540  -0.312
   79    H4*  CM0  34           H4*      CM0  34  58.118 -16.860  -2.029
   80    H3*  CM0  34           H3*      CM0  34  55.659 -15.159  -1.878
   81    H1*  CM0  34           H1*      CM0  34  55.562 -18.824  -0.627
   82    H2*  CM0  34           H2*      CM0  34  54.280 -17.068  -2.363
   83    H6   CM0  34           H6       CM0  34  56.059 -16.268   1.455
   84    H3   CM0  34           H3       CM0  34  51.406 -17.086   0.772
   85   1H7C  CM0  34          H7        CM0  34  55.744 -16.875   4.242
   86   2H7C  CM0  34          H8        CM0  34  54.094 -16.690   4.916
   87    HA   CM0  34          2HO*      CM0  34  55.368 -19.117  -2.824
   88   1H5*    A  35          1H5*        A  35  53.375 -13.340  -4.372
   89   2H5*    A  35          2H5*        A  35  54.048 -13.411  -2.732
   90    H4*    A  35           H4*        A  35  51.618 -14.972  -3.572
   91    H3*    A  35           H3*        A  35  51.712 -12.117  -2.654
   92    H2*    A  35           H2*        A  35  49.841 -12.512  -1.217
   93   2HO*    A  35          2HO*        A  35  48.469 -13.690  -2.481
   94    H1*    A  35           H1*        A  35  50.624 -15.099  -0.389
   95    H8     A  35           H8         A  35  53.780 -13.568   0.082
   96   1H6     A  35          H62         A  35  51.597 -10.367   4.912
   97   2H6     A  35          H61         A  35  53.039 -10.895   4.075
   98    H2     A  35           H2         A  35  48.102 -11.994   2.624
   99   1H5*    C  36          1H5*        C  36  47.286 -12.928  -3.753
  100   2H5*    C  36          2H5*        C  36  47.319 -11.858  -5.167
  101    H4*    C  36           H4*        C  36  45.279 -11.412  -4.157
  102    H3*    C  36           H3*        C  36  47.285  -9.288  -3.494
  103    H2*    C  36           H2*        C  36  45.683  -8.199  -2.065
  104   2HO*    C  36          2HO*        C  36  43.517  -8.827  -2.059
  105    H1*    C  36           H1*        C  36  44.795 -10.510  -0.796
  106   1H4     C  36          H42         C  36  49.586  -8.577   2.887
  107   2H4     C  36          H41         C  36  50.743  -9.339   1.817
  108    H5     C  36           H5         C  36  50.111 -10.373  -0.280
  109    H6     C  36           H6         C  36  48.248 -10.883  -1.771
  110   1H5*    A  37          1H5*        A  37  44.776  -6.281  -3.714
  111   2H5*    A  37          2H5*        A  37  45.885  -4.987  -4.209
  112    H4*    A  37           H4*        A  37  45.123  -5.400  -1.677
  113    H3*    A  37           H3*        A  37  47.651  -4.191  -2.739
  114    H2*    A  37           H2*        A  37  48.569  -4.136  -0.515
  115   2HO*    A  37          2HO*        A  37  46.153  -3.764   0.236
  116    H1*    A  37           H1*        A  37  47.772  -6.706   0.199
  117    H8     A  37           H8         A  37  48.598  -7.334  -3.279
  118   1H6     A  37          H62         A  37  54.609  -7.078  -1.810
  119   2H6     A  37          H61         A  37  53.450  -7.539  -3.037
  120    H2     A  37           H2         A  37  52.263  -5.425   1.635
  121   1H5*    A  38          1H5*        A  38  46.266  -1.597   0.746
  122   2H5*    A  38          2H5*        A  38  46.977  -0.009   0.392
  123    H4*    A  38           H4*        A  38  47.598  -1.231   2.580
  124    H3*    A  38           H3*        A  38  49.475   0.271   0.798
  125    H2*    A  38           H2*        A  38  51.350  -0.418   2.144
  126   2HO*    A  38          2HO*        A  38  51.060  -1.372   4.143
  127    H1*    A  38           H1*        A  38  50.614  -3.084   2.351
  128    H8     A  38           H8         A  38  49.473  -2.042  -1.039
  129   1H6     A  38          H62         A  38  55.265  -3.022  -2.999
  130   2H6     A  38          H61         A  38  53.616  -2.712  -3.493
  131    H2     A  38           H2         A  38  55.272  -3.158   1.483
  132   1H5*    G  39          1H5*        G  39  50.826   1.069   4.094
  133   2H5*    G  39          2H5*        G  39  51.117   2.758   4.558
  134    H4*    G  39           H4*        G  39  53.169   1.557   4.716
  135    H3*    G  39           H3*        G  39  53.086   3.489   2.409
  136    H2*    G  39           H2*        G  39  55.369   2.864   1.914
  137   2HO*    G  39          2HO*        G  39  55.205   1.384   4.355
  138    H1*    G  39           H1*        G  39  54.926   0.123   2.183
  139    H8     G  39           H8         G  39  51.806   1.309   0.640
  140    H1     G  39           H1         G  39  56.689   1.126  -3.514
  141   1H2     G  39          H22         G  39  58.591   0.914  -2.460
  142   2H2     G  39          H21         G  39  58.670   0.780  -0.713
  143   1H5*    G  40          1H5*        G  40  56.594   4.063   4.180
  144   2H5*    G  40          2H5*        G  40  56.855   5.743   4.688
  145    H4*    G  40           H4*        G  40  58.798   5.107   3.550
  146    H3*    G  40           H3*        G  40  57.071   6.844   1.798
  147    H2*    G  40           H2*        G  40  58.767   6.677   0.093
  148   2HO*    G  40          2HO*        G  40  60.303   5.292   2.071
  149    H1*    G  40           H1*        G  40  59.150   3.928   0.396
  150    H8     G  40           H8         G  40  55.519   4.339   0.855
  151    H1     G  40           H1         G  40  57.320   4.728  -5.285
  152   1H2     G  40          H22         G  40  59.488   5.031  -5.419
  153   2H2     G  40          H21         G  40  60.512   5.098  -3.994
  154   1H5*    A  41          1H5*        A  41  60.966   8.000   1.650
  155   2H5*    A  41          2H5*        A  41  61.210   9.744   1.861
  156    H4*    A  41           H4*        A  41  62.471   9.027  -0.025
  157    H3*    A  41           H3*        A  41  60.071  10.686  -0.761
  158    H2*    A  41           H2*        A  41  60.724  10.485  -3.076
  159   2HO*    A  41          2HO*        A  41  63.090   9.305  -1.987
  160    H1*    A  41           H1*        A  41  61.255   7.747  -2.951
  161    H8     A  41           H8         A  41  58.296   8.217  -0.753
  162   1H6     A  41          H62         A  41  54.822   8.281  -5.860
  163   2H6     A  41          H61         A  41  54.799   8.311  -4.105
  164    H2     A  41           H2         A  41  59.113   8.522  -7.111
  165   1H5*    G  42          1H5*        G  42  63.093  11.976  -3.061
  166   2H5*    G  42          2H5*        G  42  63.370  13.716  -2.851
  167    H4*    G  42           H4*        G  42  63.319  13.329  -5.166
  168    H3*    G  42           H3*        G  42  60.746  14.585  -4.231
  169    H2*    G  42           H2*        G  42  60.014  14.593  -6.530
  170   2HO*    G  42          2HO*        G  42  62.685  13.752  -7.107
  171    H1*    G  42           H1*        G  42  60.906  11.990  -7.074
  172    H8     G  42           H8         G  42  59.560  11.800  -3.644
  173    H1     G  42           H1         G  42  54.971  12.016  -8.121
  174   1H2     G  42          H22         G  42  55.824  12.574 -10.065
  175   2H2     G  42          H21         G  42  57.537  12.923 -10.248
  176   1H5*    G  43          1H5*        G  43  61.838  16.481  -7.633
  177   2H5*    G  43          2H5*        G  43  61.888  18.239  -7.405
  178    H4*    G  43           H4*        G  43  60.645  17.814  -9.369
  179    H3*    G  43           H3*        G  43  58.880  18.640  -7.073
  180    H2*    G  43           H2*        G  43  56.994  18.506  -8.567
  181   2HO*    G  43          2HO*        G  43  59.003  18.233 -10.584
  182    H1*    G  43           H1*        G  43  57.833  16.112  -9.796
  183    H8     G  43           H8         G  43  58.556  15.666  -6.198
  184    H1     G  43           H1         G  43  52.335  14.975  -7.617
  185   1H2     G  43          H22         G  43  51.930  15.729  -9.649
  186   2H2     G  43          H21         G  43  53.203  16.385 -10.660
  187    H3T    G  43           H3T        G  43  60.482  19.981  -8.228
  Start of MODEL    9
    1   1H5*    C  27          1H5*        C  27  44.189  14.076  -7.906
    2   2H5*    C  27          2H5*        C  27  44.020  12.514  -8.728
    3    H4*    C  27           H4*        C  27  45.165  13.871 -10.233
    4    H3*    C  27           H3*        C  27  47.059  11.998  -8.846
    5    H2*    C  27           H2*        C  27  48.871  12.962 -10.107
    6   2HO*    C  27          2HO*        C  27  48.432  13.699 -12.050
    7    H1*    C  27           H1*        C  27  48.083  15.610  -9.732
    8   1H4     C  27          H42         C  27  52.168  14.362  -5.012
    9   2H4     C  27          H41         C  27  50.824  13.893  -3.992
   10    H5     C  27           H5         C  27  48.553  13.716  -4.805
   11    H6     C  27           H6         C  27  47.108  13.969  -6.754
   12    H5T    C  27           H5T        C  27  45.411  11.619  -7.376
   13   1H5*    C  28          1H5*        C  28  48.036  11.890 -12.730
   14   2H5*    C  28          2H5*        C  28  48.000  10.253 -13.415
   15    H4*    C  28           H4*        C  28  50.039  11.159 -14.093
   16    H3*    C  28           H3*        C  28  50.483   9.306 -11.761
   17    H2*    C  28           H2*        C  28  52.842   9.767 -11.958
   18   2HO*    C  28          2HO*        C  28  53.608  10.250 -13.879
   19    H1*    C  28           H1*        C  28  52.524  12.521 -12.254
   20   1H4     C  28          H42         C  28  53.385  11.580  -6.024
   21   2H4     C  28          H41         C  28  51.643  11.488  -5.817
   22    H5     C  28           H5         C  28  50.105  11.453  -7.664
   23    H6     C  28           H6         C  28  49.901  11.551 -10.092
   24   1H5*    U  29          1H5*        U  29  53.240   8.440 -14.627
   25   2H5*    U  29          2H5*        U  29  53.333   6.708 -14.995
   26    H4*    U  29           H4*        U  29  55.539   7.508 -14.662
   27    H3*    U  29           H3*        U  29  54.599   5.800 -12.365
   28    H2*    U  29           H2*        U  29  56.760   6.116 -11.354
   29   2HO*    U  29          2HO*        U  29  58.459   6.563 -12.548
   30    H1*    U  29           H1*        U  29  56.891   8.853 -11.880
   31    H3     U  29           H3         U  29  56.210   8.089  -7.392
   32    H5     U  29           H5         U  29  52.409   8.461  -9.153
   33    H6     U  29           H6         U  29  53.480   8.314 -11.299
   34   1H5*    C  30          1H5*        C  30  58.461   4.805 -13.280
   35   2H5*    C  30          2H5*        C  30  58.635   3.053 -13.494
   36    H4*    C  30           H4*        C  30  60.364   3.849 -12.038
   37    H3*    C  30           H3*        C  30  58.294   2.138 -10.686
   38    H2*    C  30           H2*        C  30  59.512   2.396  -8.620
   39   2HO*    C  30          2HO*        C  30  61.606   2.775  -8.665
   40    H1*    C  30           H1*        C  30  59.940   5.139  -8.905
   41   1H4     C  30          H42         C  30  54.596   4.424  -5.506
   42   2H4     C  30          H41         C  30  53.657   4.515  -6.978
   43    H5     C  30           H5         C  30  54.670   4.592  -9.169
   44    H6     C  30           H6         C  30  56.782   4.619 -10.388
   45   1H5*    C  31          1H5*        C  31  61.896   0.986  -9.357
   46   2H5*    C  31          2H5*        C  31  62.214  -0.731  -9.670
   47    H4*    C  31           H4*        C  31  62.837  -0.396  -7.450
   48    H3*    C  31           H3*        C  31  60.135  -1.706  -7.595
   49    H2*    C  31           H2*        C  31  60.051  -1.707  -5.189
   50   2HO*    C  31          2HO*        C  31  62.547  -0.502  -4.872
   51    H1*    C  31           H1*        C  31  61.067   0.891  -4.884
   52   1H4     C  31          H42         C  31  54.734   1.404  -4.683
   53   2H4     C  31          H41         C  31  54.686   1.602  -6.422
   54    H5     C  31           H5         C  31  56.665   1.391  -7.812
   55    H6     C  31           H6         C  31  59.054   0.905  -7.814
   56   1H5*    C  32          1H5*        C  32  62.309  -3.644  -4.508
   57   2H5*    C  32          2H5*        C  32  62.387  -5.348  -4.998
   58    H4*    C  32           H4*        C  32  61.807  -5.019  -2.623
   59    H3*    C  32           H3*        C  32  59.936  -6.520  -4.423
   60    H2*    C  32           H2*        C  32  58.403  -6.801  -2.589
   61   2HO*    C  32          2HO*        C  32  59.014  -6.266  -0.475
   62    H1*    C  32           H1*        C  32  58.584  -4.177  -1.655
   63   1H4     C  32          H42         C  32  53.686  -3.853  -5.658
   64   2H4     C  32          H41         C  32  54.760  -3.910  -7.038
   65    H5     C  32           H5         C  32  57.152  -4.221  -6.831
   66    H6     C  32           H6         C  32  58.995  -4.533  -5.262
   67   1H5*    U  33          1H5*        U  33  59.592  -9.019  -0.933
   68   2H5*    U  33          2H5*        U  33  60.625 -10.350  -1.490
   69    H4*    U  33           H4*        U  33  58.792 -11.410  -0.555
   70    H3*    U  33           H3*        U  33  58.561 -11.347  -3.542
   71    H2*    U  33           H2*        U  33  56.398 -12.396  -3.409
   72   2HO*    U  33          2HO*        U  33  55.836 -12.690  -0.901
   73    H1*    U  33           H1*        U  33  55.429 -10.824  -1.326
   74    H3     U  33           H3         U  33  53.281  -9.216  -4.972
   75    H5     U  33           H5         U  33  57.106  -7.494  -5.150
   76    H6     U  33           H6         U  33  57.750  -8.919  -3.322
   77   1H5*  CM0  34          1H5*      CM0  34  57.824 -15.886  -3.765
   78   2H5*  CM0  34          2H5*      CM0  34  59.265 -16.102  -4.778
   79    H4*  CM0  34           H4*      CM0  34  58.078 -15.831  -6.758
   80    H3*  CM0  34           H3*      CM0  34  55.957 -14.442  -5.165
   81    H1*  CM0  34           H1*      CM0  34  55.262 -17.921  -6.717
   82    H2*  CM0  34           H2*      CM0  34  54.259 -15.325  -6.624
   83    H6   CM0  34           H6       CM0  34  56.223 -17.562  -3.542
   84    H3   CM0  34           H3       CM0  34  51.486 -17.188  -3.991
   85   1H7C  CM0  34          H7        CM0  34  56.138 -19.602  -0.679
   86   2H7C  CM0  34          H8        CM0  34  54.870 -20.093  -1.846
   87    HA   CM0  34          2HO*      CM0  34  55.082 -16.696  -8.449
   88   1H5*    A  35          1H5*        A  35  53.487 -11.441  -5.668
   89   2H5*    A  35          2H5*        A  35  53.995 -12.865  -4.742
   90    H4*    A  35           H4*        A  35  52.035 -13.478  -6.807
   91    H3*    A  35           H3*        A  35  51.263 -11.123  -5.868
   92    H2*    A  35           H2*        A  35  51.526 -11.587  -3.506
   93   2HO*    A  35          2HO*        A  35  49.123 -12.739  -3.261
   94    H1*    A  35           H1*        A  35  50.193 -14.305  -3.880
   95    H8     A  35           H8         A  35  53.764 -14.304  -2.924
   96   1H6     A  35          H62         A  35  51.960 -14.707   2.984
   97   2H6     A  35          H61         A  35  53.317 -14.820   1.889
   98    H2     A  35           H2         A  35  48.361 -13.734   0.493
   99   1H5*    C  36          1H5*        C  36  47.492 -12.458  -4.172
  100   2H5*    C  36          2H5*        C  36  46.473 -12.181  -5.598
  101    H4*    C  36           H4*        C  36  45.180 -10.752  -4.515
  102    H3*    C  36           H3*        C  36  47.705  -9.333  -3.737
  103    H2*    C  36           H2*        C  36  46.535  -8.231  -1.946
  104   2HO*    C  36          2HO*        C  36  44.112  -9.492  -2.699
  105    H1*    C  36           H1*        C  36  45.168 -10.495  -1.054
  106   1H4     C  36          H42         C  36  50.414 -10.605   2.494
  107   2H4     C  36          H41         C  36  51.367 -11.163   1.137
  108    H5     C  36           H5         C  36  50.459 -11.407  -1.095
  109    H6     C  36           H6         C  36  48.460 -11.168  -2.473
  110   1H5*    A  37          1H5*        A  37  44.958  -6.319  -3.070
  111   2H5*    A  37          2H5*        A  37  45.715  -4.846  -3.707
  112    H4*    A  37           H4*        A  37  45.195  -5.042  -1.181
  113    H3*    A  37           H3*        A  37  47.649  -3.855  -2.411
  114    H2*    A  37           H2*        A  37  48.664  -3.592  -0.247
  115   2HO*    A  37          2HO*        A  37  46.587  -2.986   0.756
  116    H1*    A  37           H1*        A  37  48.014  -6.108   0.721
  117    H8     A  37           H8         A  37  48.591  -6.777  -2.862
  118   1H6     A  37          H62         A  37  54.670  -6.722  -1.690
  119   2H6     A  37          H61         A  37  53.439  -7.121  -2.869
  120    H2     A  37           H2         A  37  52.545  -5.091   1.905
  121   1H5*    A  38          1H5*        A  38  45.952  -1.157   0.873
  122   2H5*    A  38          2H5*        A  38  46.672   0.449   0.652
  123    H4*    A  38           H4*        A  38  47.062  -0.841   2.859
  124    H3*    A  38           H3*        A  38  49.098   0.752   1.352
  125    H2*    A  38           H2*        A  38  50.823   0.043   2.877
  126   2HO*    A  38          2HO*        A  38  50.102  -1.406   4.666
  127    H1*    A  38           H1*        A  38  50.125  -2.638   2.898
  128    H8     A  38           H8         A  38  49.371  -1.289  -0.531
  129   1H6     A  38          H62         A  38  55.288  -2.458  -1.934
  130   2H6     A  38          H61         A  38  53.725  -2.001  -2.574
  131    H2     A  38           H2         A  38  54.775  -2.988   2.489
  132   1H5*    G  39          1H5*        G  39  50.166   1.592   4.790
  133   2H5*    G  39          2H5*        G  39  50.535   3.292   5.142
  134    H4*    G  39           H4*        G  39  52.519   1.966   5.391
  135    H3*    G  39           H3*        G  39  52.568   3.831   3.027
  136    H2*    G  39           H2*        G  39  54.825   3.078   2.594
  137   2HO*    G  39          2HO*        G  39  54.523   1.836   5.144
  138    H1*    G  39           H1*        G  39  54.234   0.370   2.940
  139    H8     G  39           H8         G  39  51.214   1.680   1.292
  140    H1     G  39           H1         G  39  56.160   1.076  -2.746
  141   1H2     G  39          H22         G  39  58.026   0.790  -1.645
  142   2H2     G  39          H21         G  39  58.062   0.710   0.109
  143   1H5*    G  40          1H5*        G  40  56.093   4.271   4.863
  144   2H5*    G  40          2H5*        G  40  56.430   5.957   5.299
  145    H4*    G  40           H4*        G  40  58.359   5.153   4.234
  146    H3*    G  40           H3*        G  40  56.779   6.935   2.391
  147    H2*    G  40           H2*        G  40  58.496   6.609   0.731
  148   2HO*    G  40          2HO*        G  40  59.901   5.195   2.782
  149    H1*    G  40           H1*        G  40  58.699   3.854   1.125
  150    H8     G  40           H8         G  40  55.094   4.500   1.497
  151    H1     G  40           H1         G  40  57.019   4.572  -4.617
  152   1H2     G  40          H22         G  40  59.204   4.746  -4.720
  153   2H2     G  40          H21         G  40  60.206   4.803  -3.279
  154   1H5*    A  41          1H5*        A  41  60.747   7.836   2.286
  155   2H5*    A  41          2H5*        A  41  61.095   9.568   2.433
  156    H4*    A  41           H4*        A  41  62.342   8.687   0.603
  157    H3*    A  41           H3*        A  41  60.081  10.483  -0.240
  158    H2*    A  41           H2*        A  41  60.759  10.151  -2.532
  159   2HO*    A  41          2HO*        A  41  62.981   8.726  -1.432
  160    H1*    A  41           H1*        A  41  61.093   7.390  -2.299
  161    H8     A  41           H8         A  41  58.138   8.142  -0.182
  162   1H6     A  41          H62         A  41  54.764   8.263  -5.357
  163   2H6     A  41          H61         A  41  54.714   8.351  -3.605
  164    H2     A  41           H2         A  41  59.084   8.166  -6.530
  165   1H5*    G  42          1H5*        G  42  63.239  11.458  -2.533
  166   2H5*    G  42          2H5*        G  42  63.635  13.182  -2.378
  167    H4*    G  42           H4*        G  42  63.601  12.708  -4.679
  168    H3*    G  42           H3*        G  42  61.114  14.189  -3.846
  169    H2*    G  42           H2*        G  42  60.422  14.162  -6.156
  170   2HO*    G  42          2HO*        G  42  63.020  13.076  -6.663
  171    H1*    G  42           H1*        G  42  61.123  11.481  -6.586
  172    H8     G  42           H8         G  42  59.719  11.527  -3.174
  173    H1     G  42           H1         G  42  55.223  11.902  -7.734
  174   1H2     G  42          H22         G  42  56.141  12.316  -9.683
  175   2H2     G  42          H21         G  42  57.876  12.534  -9.849
  176   1H5*    G  43          1H5*        G  43  62.397  15.854  -7.308
  177   2H5*    G  43          2H5*        G  43  62.576  17.611  -7.143
  178    H4*    G  43           H4*        G  43  61.334  17.205  -9.113
  179    H3*    G  43           H3*        G  43  59.602  18.247  -6.881
  180    H2*    G  43           H2*        G  43  57.735  18.201  -8.405
  181   2HO*    G  43          2HO*        G  43  59.742  17.677 -10.376
  182    H1*    G  43           H1*        G  43  58.404  15.701  -9.522
  183    H8     G  43           H8         G  43  59.047  15.354  -5.897
  184    H1     G  43           H1         G  43  52.811  15.066  -7.387
  185   1H2     G  43          H22         G  43  52.489  15.763  -9.454
  186   2H2     G  43          H21         G  43  53.821  16.282 -10.471
  187    H3T    G  43           H3T        G  43  59.984  20.082  -7.788
  Start of MODEL   10
    1   1H5*    C  27          1H5*        C  27  44.235  14.289  -8.758
    2   2H5*    C  27          2H5*        C  27  44.058  12.723  -9.571
    3    H4*    C  27           H4*        C  27  45.270  14.045 -11.056
    4    H3*    C  27           H3*        C  27  47.088  12.148  -9.602
    5    H2*    C  27           H2*        C  27  48.952  13.066 -10.821
    6   2HO*    C  27          2HO*        C  27  48.582  13.795 -12.781
    7    H1*    C  27           H1*        C  27  48.206  15.731 -10.491
    8   1H4     C  27          H42         C  27  52.137  14.453  -5.647
    9   2H4     C  27          H41         C  27  50.756  14.019  -4.662
   10    H5     C  27           H5         C  27  48.508  13.874  -5.536
   11    H6     C  27           H6         C  27  47.120  14.135  -7.526
   12    H5T    C  27           H5T        C  27  44.954  11.914  -7.866
   13   1H5*    C  28          1H5*        C  28  48.171  11.980 -13.449
   14   2H5*    C  28          2H5*        C  28  48.128  10.337 -14.122
   15    H4*    C  28           H4*        C  28  50.206  11.201 -14.738
   16    H3*    C  28           H3*        C  28  50.537   9.362 -12.376
   17    H2*    C  28           H2*        C  28  52.911   9.775 -12.505
   18   2HO*    C  28          2HO*        C  28  53.747  10.227 -14.404
   19    H1*    C  28           H1*        C  28  52.653  12.534 -12.842
   20   1H4     C  28          H42         C  28  53.339  11.640  -6.583
   21   2H4     C  28          H41         C  28  51.591  11.579  -6.420
   22    H5     C  28           H5         C  28  50.100  11.553  -8.306
   23    H6     C  28           H6         C  28  49.958  11.634 -10.739
   24   1H5*    U  29          1H5*        U  29  53.369   8.414 -15.143
   25   2H5*    U  29          2H5*        U  29  53.429   6.676 -15.496
   26    H4*    U  29           H4*        U  29  55.643   7.415 -15.101
   27    H3*    U  29           H3*        U  29  54.586   5.771 -12.807
   28    H2*    U  29           H2*        U  29  56.730   6.036 -11.743
   29   2HO*    U  29          2HO*        U  29  58.472   6.427 -12.896
   30    H1*    U  29           H1*        U  29  56.949   8.762 -12.298
   31    H3     U  29           H3         U  29  56.114   8.071  -7.823
   32    H5     U  29           H5         U  29  52.376   8.512  -9.701
   33    H6     U  29           H6         U  29  53.508   8.319 -11.813
   34   1H5*    C  30          1H5*        C  30  58.429   4.652 -13.621
   35   2H5*    C  30          2H5*        C  30  58.566   2.894 -13.811
   36    H4*    C  30           H4*        C  30  60.284   3.664 -12.331
   37    H3*    C  30           H3*        C  30  58.148   2.022 -11.001
   38    H2*    C  30           H2*        C  30  59.332   2.275  -8.915
   39   2HO*    C  30          2HO*        C  30  61.436   2.599  -8.925
   40    H1*    C  30           H1*        C  30  59.834   5.004  -9.226
   41   1H4     C  30          H42         C  30  54.418   4.463  -5.911
   42   2H4     C  30          H41         C  30  53.505   4.558  -7.399
   43    H5     C  30           H5         C  30  54.557   4.583  -9.575
   44    H6     C  30           H6         C  30  56.688   4.549 -10.759
   45   1H5*    C  31          1H5*        C  31  61.669   0.817  -9.590
   46   2H5*    C  31          2H5*        C  31  61.982  -0.905  -9.886
   47    H4*    C  31           H4*        C  31  62.558  -0.577  -7.657
   48    H3*    C  31           H3*        C  31  59.829  -1.826  -7.845
   49    H2*    C  31           H2*        C  31  59.692  -1.801  -5.444
   50   2HO*    C  31          2HO*        C  31  62.347  -1.974  -5.659
   51    H1*    C  31           H1*        C  31  60.779   0.771  -5.136
   52   1H4     C  31          H42         C  31  54.457   1.454  -5.037
   53   2H4     C  31          H41         C  31  54.442   1.631  -6.778
   54    H5     C  31           H5         C  31  56.435   1.358  -8.135
   55    H6     C  31           H6         C  31  58.810   0.810  -8.097
   56   1H5*    C  32          1H5*        C  32  61.834  -3.614  -4.848
   57   2H5*    C  32          2H5*        C  32  61.782  -5.386  -4.943
   58    H4*    C  32           H4*        C  32  61.110  -4.307  -2.747
   59    H3*    C  32           H3*        C  32  59.518  -6.436  -4.123
   60    H2*    C  32           H2*        C  32  57.798  -6.267  -2.449
   61   2HO*    C  32          2HO*        C  32  59.556  -5.849  -0.774
   62    H1*    C  32           H1*        C  32  57.694  -3.491  -2.398
   63   1H4     C  32          H42         C  32  53.450  -5.104  -6.841
   64   2H4     C  32          H41         C  32  54.709  -5.101  -8.054
   65    H5     C  32           H5         C  32  57.052  -4.797  -7.515
   66    H6     C  32           H6         C  32  58.653  -4.434  -5.710
   67   1H5*    U  33          1H5*        U  33  59.370  -8.272   0.215
   68   2H5*    U  33          2H5*        U  33  60.220  -9.735  -0.320
   69    H4*    U  33           H4*        U  33  58.208 -10.286   0.910
   70    H3*    U  33           H3*        U  33  58.361 -11.099  -1.966
   71    H2*    U  33           H2*        U  33  56.122 -11.976  -1.869
   72   2HO*    U  33          2HO*        U  33  55.359 -11.374   0.617
   73    H1*    U  33           H1*        U  33  55.008  -9.823  -0.511
   74    H3     U  33           H3         U  33  53.608  -9.325  -4.799
   75    H5     U  33           H5         U  33  57.495  -7.736  -4.740
   76    H6     U  33           H6         U  33  57.731  -8.599  -2.506
   77   1H5*  CM0  34          1H5*      CM0  34  57.234 -15.315  -1.024
   78   2H5*  CM0  34          2H5*      CM0  34  58.900 -15.913  -1.153
   79    H4*  CM0  34           H4*      CM0  34  58.610 -16.563  -3.394
   80    H3*  CM0  34           H3*      CM0  34  56.132 -14.874  -3.424
   81    H1*  CM0  34           H1*      CM0  34  55.897 -18.738  -3.521
   82    H2*  CM0  34           H2*      CM0  34  55.066 -16.456  -4.891
   83    H6   CM0  34           H6       CM0  34  55.550 -16.904  -0.713
   84    H3   CM0  34           H3       CM0  34  51.393 -17.549  -2.968
   85   1H7C  CM0  34          H7        CM0  34  54.562 -17.331   2.444
   86   2H7C  CM0  34          H8        CM0  34  54.030 -18.597   1.293
   87    HA   CM0  34          2HO*      CM0  34  57.071 -18.306  -5.044
   88   1H5*    A  35          1H5*        A  35  54.721 -12.148  -5.775
   89   2H5*    A  35          2H5*        A  35  54.682 -12.774  -4.115
   90    H4*    A  35           H4*        A  35  52.851 -13.800  -6.264
   91    H3*    A  35           H3*        A  35  52.573 -11.215  -5.706
   92    H2*    A  35           H2*        A  35  52.557 -11.403  -3.289
   93   2HO*    A  35          2HO*        A  35  50.593 -10.393  -3.799
   94    H1*    A  35           H1*        A  35  50.684 -13.804  -3.526
   95    H8     A  35           H8         A  35  54.190 -13.646  -2.003
   96   1H6     A  35          H62         A  35  51.359 -14.379   3.455
   97   2H6     A  35          H61         A  35  52.904 -14.298   2.640
   98    H2     A  35           H2         A  35  48.205 -13.840   0.311
   99   1H5*    C  36          1H5*        C  36  48.717 -12.286  -4.314
  100   2H5*    C  36          2H5*        C  36  47.686 -12.091  -5.744
  101    H4*    C  36           H4*        C  36  46.208 -10.886  -4.625
  102    H3*    C  36           H3*        C  36  48.517  -9.171  -3.756
  103    H2*    C  36           H2*        C  36  47.151  -8.272  -1.992
  104   2HO*    C  36          2HO*        C  36  44.884  -9.751  -2.547
  105    H1*    C  36           H1*        C  36  46.016 -10.729  -1.241
  106   1H4     C  36          H42         C  36  50.914 -10.063   2.730
  107   2H4     C  36          H41         C  36  52.021 -10.625   1.498
  108    H5     C  36           H5         C  36  51.330 -11.089  -0.778
  109    H6     C  36           H6         C  36  49.443 -11.107  -2.324
  110   1H5*    A  37          1H5*        A  37  45.289  -6.756  -3.312
  111   2H5*    A  37          2H5*        A  37  45.726  -5.096  -3.759
  112    H4*    A  37           H4*        A  37  45.033  -5.482  -1.367
  113    H3*    A  37           H3*        A  37  47.532  -4.029  -2.138
  114    H2*    A  37           H2*        A  37  48.164  -3.823   0.174
  115   2HO*    A  37          2HO*        A  37  46.660  -4.601   1.807
  116    H1*    A  37           H1*        A  37  47.584  -6.443   0.887
  117    H8     A  37           H8         A  37  48.829  -6.693  -2.605
  118   1H6     A  37          H62         A  37  54.575  -6.478  -0.307
  119   2H6     A  37          H61         A  37  53.611  -6.791  -1.732
  120    H2     A  37           H2         A  37  51.720  -5.405   2.980
  121   1H5*    A  38          1H5*        A  38  45.597  -1.105   0.896
  122   2H5*    A  38          2H5*        A  38  46.400   0.404   0.416
  123    H4*    A  38           H4*        A  38  46.776  -0.674   2.786
  124    H3*    A  38           H3*        A  38  48.755   0.816   1.102
  125    H2*    A  38           H2*        A  38  50.509   0.295   2.664
  126   2HO*    A  38          2HO*        A  38  48.560   0.343   4.403
  127    H1*    A  38           H1*        A  38  49.822  -2.381   3.019
  128    H8     A  38           H8         A  38  49.197  -1.343  -0.563
  129   1H6     A  38          H62         A  38  55.102  -2.860  -1.642
  130   2H6     A  38          H61         A  38  53.582  -2.400  -2.376
  131    H2     A  38           H2         A  38  54.423  -2.977   2.788
  132   1H5*    G  39          1H5*        G  39  49.810   1.848   4.439
  133   2H5*    G  39          2H5*        G  39  50.209   3.553   4.727
  134    H4*    G  39           H4*        G  39  52.162   2.181   5.027
  135    H3*    G  39           H3*        G  39  52.261   4.000   2.628
  136    H2*    G  39           H2*        G  39  54.504   3.196   2.223
  137   2HO*    G  39          2HO*        G  39  54.174   1.896   4.748
  138    H1*    G  39           H1*        G  39  53.861   0.507   2.613
  139    H8     G  39           H8         G  39  50.871   1.834   0.929
  140    H1     G  39           H1         G  39  55.828   1.104  -3.078
  141   1H2     G  39          H22         G  39  57.682   0.791  -1.961
  142   2H2     G  39          H21         G  39  57.708   0.734  -0.207
  143   1H5*    G  40          1H5*        G  40  55.772   4.408   4.491
  144   2H5*    G  40          2H5*        G  40  56.143   6.095   4.902
  145    H4*    G  40           H4*        G  40  58.063   5.229   3.871
  146    H3*    G  40           H3*        G  40  56.543   7.016   1.985
  147    H2*    G  40           H2*        G  40  58.269   6.627   0.349
  148   2HO*    G  40          2HO*        G  40  59.621   5.216   2.438
  149    H1*    G  40           H1*        G  40  58.408   3.874   0.789
  150    H8     G  40           H8         G  40  54.812   4.599   1.105
  151    H1     G  40           H1         G  40  56.828   4.568  -4.983
  152   1H2     G  40          H22         G  40  59.017   4.688  -5.055
  153   2H2     G  40          H21         G  40  59.999   4.737  -3.601
  154   1H5*    A  41          1H5*        A  41  60.525   7.830   1.914
  155   2H5*    A  41          2H5*        A  41  60.910   9.555   2.045
  156    H4*    A  41           H4*        A  41  62.159   8.630   0.239
  157    H3*    A  41           H3*        A  41  59.940  10.458  -0.648
  158    H2*    A  41           H2*        A  41  60.640  10.091  -2.930
  159   2HO*    A  41          2HO*        A  41  62.821   8.633  -1.787
  160    H1*    A  41           H1*        A  41  60.917   7.326  -2.664
  161    H8     A  41           H8         A  41  57.950   8.156  -0.589
  162   1H6     A  41          H62         A  41  54.645   8.312  -5.808
  163   2H6     A  41          H61         A  41  54.573   8.413  -4.057
  164    H2     A  41           H2         A  41  58.974   8.100  -6.925
  165   1H5*    G  42          1H5*        G  42  63.139  11.375  -2.889
  166   2H5*    G  42          2H5*        G  42  63.564  13.092  -2.744
  167    H4*    G  42           H4*        G  42  63.555  12.603  -5.040
  168    H3*    G  42           H3*        G  42  61.076  14.123  -4.257
  169    H2*    G  42           H2*        G  42  60.423  14.088  -6.578
  170   2HO*    G  42          2HO*        G  42  63.045  13.029  -7.001
  171    H1*    G  42           H1*        G  42  61.096  11.395  -6.977
  172    H8     G  42           H8         G  42  59.629  11.482  -3.594
  173    H1     G  42           H1         G  42  55.225  11.898  -8.241
  174   1H2     G  42          H22         G  42  56.189  12.289 -10.175
  175   2H2     G  42          H21         G  42  57.930  12.474 -10.309
  176   1H5*    G  43          1H5*        G  43  62.457  15.751  -7.683
  177   2H5*    G  43          2H5*        G  43  62.661  17.508  -7.538
  178    H4*    G  43           H4*        G  43  61.457  17.095  -9.529
  179    H3*    G  43           H3*        G  43  59.692  18.193  -7.350
  180    H2*    G  43           H2*        G  43  57.859  18.154  -8.914
  181   2HO*    G  43          2HO*        G  43  59.863  17.516 -10.854
  182    H1*    G  43           H1*        G  43  58.519  15.634  -9.993
  183    H8     G  43           H8         G  43  59.060  15.303  -6.352
  184    H1     G  43           H1         G  43  52.860  15.119  -7.999
  185   1H2     G  43          H22         G  43  52.604  15.806 -10.078
  186   2H2     G  43          H21         G  43  53.970  16.291 -11.065
  187    H3T    G  43           H3T        G  43  61.446  19.331  -8.484
  Start of MODEL   11
    1   1H5*    C  27          1H5*        C  27  44.088  12.860  -6.972
    2   2H5*    C  27          2H5*        C  27  44.046  11.328  -7.865
    3    H4*    C  27           H4*        C  27  45.037  12.854  -9.321
    4    H3*    C  27           H3*        C  27  47.116  11.096  -8.051
    5    H2*    C  27           H2*        C  27  48.810  12.278  -9.291
    6   2HO*    C  27          2HO*        C  27  48.270  13.059 -11.192
    7    H1*    C  27           H1*        C  27  47.795  14.822  -8.779
    8   1H4     C  27          H42         C  27  52.064  13.725  -4.183
    9   2H4     C  27          H41         C  27  50.786  13.093  -3.167
   10    H5     C  27           H5         C  27  48.525  12.754  -3.954
   11    H6     C  27           H6         C  27  47.026  12.965  -5.869
   12    H5T    C  27           H5T        C  27  45.039  10.575  -6.178
   13   1H5*    C  28          1H5*        C  28  48.024  11.253 -11.947
   14   2H5*    C  28          2H5*        C  28  48.121   9.654 -12.711
   15    H4*    C  28           H4*        C  28  50.059  10.767 -13.374
   16    H3*    C  28           H3*        C  28  50.705   8.853 -11.138
   17    H2*    C  28           H2*        C  28  53.010   9.532 -11.341
   18   2HO*    C  28          2HO*        C  28  53.705  10.172 -13.243
   19    H1*    C  28           H1*        C  28  52.446  12.259 -11.508
   20   1H4     C  28          H42         C  28  53.501  11.112  -5.341
   21   2H4     C  28          H41         C  28  51.776  10.859  -5.116
   22    H5     C  28           H5         C  28  50.216  10.772  -6.941
   23    H6     C  28           H6         C  28  49.958  10.964  -9.357
   24   1H5*    U  29          1H5*        U  29  53.496   8.377 -14.067
   25   2H5*    U  29          2H5*        U  29  53.717   6.678 -14.528
   26    H4*    U  29           H4*        U  29  55.860   7.617 -14.177
   27    H3*    U  29           H3*        U  29  55.076   5.753 -11.943
   28    H2*    U  29           H2*        U  29  57.228   6.179 -10.947
   29   2HO*    U  29          2HO*        U  29  58.870   6.792 -12.145
   30    H1*    U  29           H1*        U  29  57.152   8.938 -11.355
   31    H3     U  29           H3         U  29  56.594   7.944  -6.896
   32    H5     U  29           H5         U  29  52.750   8.080  -8.594
   33    H6     U  29           H6         U  29  53.797   8.116 -10.758
   34   1H5*    C  30          1H5*        C  30  58.977   5.066 -12.950
   35   2H5*    C  30          2H5*        C  30  59.270   3.341 -13.244
   36    H4*    C  30           H4*        C  30  60.964   4.191 -11.781
   37    H3*    C  30           H3*        C  30  59.040   2.289 -10.472
   38    H2*    C  30           H2*        C  30  60.271   2.545  -8.415
   39   2HO*    C  30          2HO*        C  30  62.336   3.062  -8.475
   40    H1*    C  30           H1*        C  30  60.513   5.321  -8.593
   41   1H4     C  30          H42         C  30  55.300   4.127  -5.134
   42   2H4     C  30          H41         C  30  54.326   4.206  -6.583
   43    H5     C  30           H5         C  30  55.288   4.429  -8.790
   44    H6     C  30           H6         C  30  57.367   4.649 -10.044
   45   1H5*    C  31          1H5*        C  31  62.714   1.342  -9.240
   46   2H5*    C  31          2H5*        C  31  63.162  -0.330  -9.636
   47    H4*    C  31           H4*        C  31  63.787  -0.061  -7.412
   48    H3*    C  31           H3*        C  31  61.171  -1.535  -7.576
   49    H2*    C  31           H2*        C  31  61.127  -1.644  -5.172
   50   2HO*    C  31          2HO*        C  31  63.373  -0.311  -4.528
   51    H1*    C  31           H1*        C  31  61.996   0.997  -4.768
   52   1H4     C  31          H42         C  31  55.649   1.099  -4.413
   53   2H4     C  31          H41         C  31  55.549   1.356  -6.143
   54    H5     C  31           H5         C  31  57.502   1.330  -7.581
   55    H6     C  31           H6         C  31  59.916   0.999  -7.653
   56   1H5*    C  32          1H5*        C  32  62.526  -3.995  -4.885
   57   2H5*    C  32          2H5*        C  32  62.292  -5.650  -5.479
   58    H4*    C  32           H4*        C  32  61.062  -4.976  -3.364
   59    H3*    C  32           H3*        C  32  59.764  -6.367  -5.678
   60    H2*    C  32           H2*        C  32  57.631  -6.250  -4.564
   61   2HO*    C  32          2HO*        C  32  59.051  -5.143  -2.341
   62    H1*    C  32           H1*        C  32  57.855  -3.591  -3.791
   63   1H4     C  32          H42         C  32  55.138  -3.146  -9.503
   64   2H4     C  32          H41         C  32  56.680  -3.402 -10.290
   65    H5     C  32           H5         C  32  58.710  -3.913  -9.072
   66    H6     C  32           H6         C  32  59.667  -4.286  -6.860
   67   1H5*    U  33          1H5*        U  33  58.482  -8.767  -1.666
   68   2H5*    U  33          2H5*        U  33  59.190 -10.269  -2.292
   69    H4*    U  33           H4*        U  33  57.073 -10.743  -1.280
   70    H3*    U  33           H3*        U  33  57.194 -11.080  -4.257
   71    H2*    U  33           H2*        U  33  54.865 -11.698  -4.279
   72   2HO*    U  33          2HO*        U  33  54.709 -12.942  -2.423
   73    H1*    U  33           H1*        U  33  54.013  -9.649  -2.605
   74    H3     U  33           H3         U  33  52.750  -8.392  -6.786
   75    H5     U  33           H5         U  33  56.782  -7.254  -6.476
   76    H6     U  33           H6         U  33  56.881  -8.455  -4.391
   77   1H5*  CM0  34          1H5*      CM0  34  56.724 -16.055  -4.545
   78   2H5*  CM0  34          2H5*      CM0  34  58.024 -15.667  -5.688
   79    H4*  CM0  34           H4*      CM0  34  56.658 -15.693  -7.439
   80    H3*  CM0  34           H3*      CM0  34  54.748 -14.034  -5.820
   81    H1*  CM0  34           H1*      CM0  34  53.698 -17.412  -7.396
   82    H2*  CM0  34           H2*      CM0  34  52.957 -14.715  -7.277
   83    H6   CM0  34           H6       CM0  34  54.574 -16.731  -4.122
   84    H3   CM0  34           H3       CM0  34  49.864 -16.743  -4.888
   85   1H7C  CM0  34          H7        CM0  34  54.539 -18.593  -2.282
   86   2H7C  CM0  34          H8        CM0  34  53.001 -19.047  -1.482
   87    HA   CM0  34          2HO*      CM0  34  54.632 -16.291  -8.882
   88   1H5*    A  35          1H5*        A  35  52.616 -13.319  -9.253
   89   2H5*    A  35          2H5*        A  35  52.412 -11.561  -9.136
   90    H4*    A  35           H4*        A  35  50.370 -13.144  -8.895
   91    H3*    A  35           H3*        A  35  50.666 -10.529  -8.134
   92    H2*    A  35           H2*        A  35  51.185 -10.936  -5.819
   93   2HO*    A  35          2HO*        A  35  49.236  -9.869  -5.614
   94    H1*    A  35           H1*        A  35  49.243 -13.307  -5.903
   95    H8     A  35           H8         A  35  52.949 -12.895  -4.871
   96   1H6     A  35          H62         A  35  51.094 -14.985   0.655
   97   2H6     A  35          H61         A  35  52.472 -14.490  -0.305
   98    H2     A  35           H2         A  35  47.475 -14.560  -1.959
   99   1H5*    C  36          1H5*        C  36  47.138 -11.558  -5.977
  100   2H5*    C  36          2H5*        C  36  45.823 -11.081  -7.068
  101    H4*    C  36           H4*        C  36  44.767  -9.967  -5.474
  102    H3*    C  36           H3*        C  36  47.387  -8.616  -4.894
  103    H2*    C  36           H2*        C  36  46.551  -7.970  -2.733
  104   2HO*    C  36          2HO*        C  36  44.066  -8.768  -3.869
  105    H1*    C  36           H1*        C  36  45.340 -10.435  -2.152
  106   1H4     C  36          H42         C  36  51.028 -10.972   0.584
  107   2H4     C  36          H41         C  36  51.786 -11.253  -0.967
  108    H5     C  36           H5         C  36  50.579 -11.126  -3.063
  109    H6     C  36           H6         C  36  48.406 -10.708  -4.092
  110   1H5*    A  37          1H5*        A  37  44.573  -5.470  -3.705
  111   2H5*    A  37          2H5*        A  37  45.541  -3.994  -3.882
  112    H4*    A  37           H4*        A  37  44.797  -4.753  -1.534
  113    H3*    A  37           H3*        A  37  47.484  -3.675  -2.273
  114    H2*    A  37           H2*        A  37  48.322  -4.125  -0.061
  115   2HO*    A  37          2HO*        A  37  45.848  -5.188   0.773
  116    H1*    A  37           H1*        A  37  47.309  -6.690   0.136
  117    H8     A  37           H8         A  37  48.064  -6.356  -3.479
  118   1H6     A  37          H62         A  37  53.977  -7.598  -2.126
  119   2H6     A  37          H61         A  37  52.804  -7.427  -3.414
  120    H2     A  37           H2         A  37  51.802  -6.820   1.718
  121   1H5*    A  38          1H5*        A  38  46.509  -1.719   1.633
  122   2H5*    A  38          2H5*        A  38  47.255  -0.115   1.482
  123    H4*    A  38           H4*        A  38  47.991  -1.687   3.391
  124    H3*    A  38           H3*        A  38  49.821  -0.016   1.703
  125    H2*    A  38           H2*        A  38  51.724  -0.959   2.844
  126   2HO*    A  38          2HO*        A  38  49.721  -2.008   4.584
  127    H1*    A  38           H1*        A  38  50.852  -3.595   2.720
  128    H8     A  38           H8         A  38  49.629  -2.211  -0.471
  129   1H6     A  38          H62         A  38  55.363  -2.830  -2.723
  130   2H6     A  38          H61         A  38  53.690  -2.519  -3.125
  131    H2     A  38           H2         A  38  55.543  -3.410   1.719
  132   1H5*    G  39          1H5*        G  39  51.342   0.637   5.199
  133   2H5*    G  39          2H5*        G  39  51.614   2.340   5.618
  134    H4*    G  39           H4*        G  39  53.684   1.136   5.742
  135    H3*    G  39           H3*        G  39  53.533   3.103   3.468
  136    H2*    G  39           H2*        G  39  55.816   2.518   2.927
  137   2HO*    G  39          2HO*        G  39  55.688   1.150   5.427
  138    H1*    G  39           H1*        G  39  55.415  -0.237   3.179
  139    H8     G  39           H8         G  39  52.272   0.946   1.670
  140    H1     G  39           H1         G  39  57.124   0.797  -2.523
  141   1H2     G  39          H22         G  39  59.035   0.589  -1.485
  142   2H2     G  39          H21         G  39  59.126   0.452   0.263
  143   1H5*    G  40          1H5*        G  40  57.073   3.693   5.206
  144   2H5*    G  40          2H5*        G  40  57.324   5.376   5.709
  145    H4*    G  40           H4*        G  40  59.257   4.752   4.541
  146    H3*    G  40           H3*        G  40  57.496   6.489   2.822
  147    H2*    G  40           H2*        G  40  59.180   6.346   1.103
  148   2HO*    G  40          2HO*        G  40  60.738   4.964   3.063
  149    H1*    G  40           H1*        G  40  59.585   3.597   1.388
  150    H8     G  40           H8         G  40  55.953   3.985   1.863
  151    H1     G  40           H1         G  40  57.729   4.410  -4.284
  152   1H2     G  40          H22         G  40  59.895   4.725  -4.424
  153   2H2     G  40          H21         G  40  60.924   4.793  -3.005
  154   1H5*    A  41          1H5*        A  41  61.376   7.680   2.653
  155   2H5*    A  41          2H5*        A  41  61.610   9.424   2.874
  156    H4*    A  41           H4*        A  41  62.863   8.732   0.976
  157    H3*    A  41           H3*        A  41  60.441  10.370   0.265
  158    H2*    A  41           H2*        A  41  61.081  10.188  -2.056
  159   2HO*    A  41          2HO*        A  41  63.463   9.004  -1.004
  160    H1*    A  41           H1*        A  41  61.644   7.455  -1.948
  161    H8     A  41           H8         A  41  58.692   7.885   0.268
  162   1H6     A  41          H62         A  41  55.190   7.932  -4.820
  163   2H6     A  41          H61         A  41  55.176   7.956  -3.065
  164    H2     A  41           H2         A  41  59.470   8.223  -6.093
  165   1H5*    G  42          1H5*        G  42  63.425  11.705  -2.048
  166   2H5*    G  42          2H5*        G  42  63.688  13.446  -1.829
  167    H4*    G  42           H4*        G  42  63.619  13.076  -4.145
  168    H3*    G  42           H3*        G  42  61.034  14.290  -3.183
  169    H2*    G  42           H2*        G  42  60.289  14.306  -5.477
  170   2HO*    G  42          2HO*        G  42  62.954  13.473  -6.096
  171    H1*    G  42           H1*        G  42  61.214  11.720  -6.047
  172    H8     G  42           H8         G  42  59.888  11.485  -2.612
  173    H1     G  42           H1         G  42  55.276  11.676  -7.066
  174   1H2     G  42          H22         G  42  56.111  12.257  -9.008
  175   2H2     G  42          H21         G  42  57.818  12.629  -9.198
  176   1H5*    G  43          1H5*        G  43  62.079  16.230  -6.573
  177   2H5*    G  43          2H5*        G  43  62.108  17.987  -6.331
  178    H4*    G  43           H4*        G  43  60.859  17.562  -8.291
  179    H3*    G  43           H3*        G  43  59.091  18.336  -5.978
  180    H2*    G  43           H2*        G  43  57.203  18.192  -7.467
  181   2HO*    G  43          2HO*        G  43  59.170  17.876  -9.522
  182    H1*    G  43           H1*        G  43  58.072  15.821  -8.721
  183    H8     G  43           H8         G  43  58.815  15.353  -5.130
  184    H1     G  43           H1         G  43  52.598  14.591  -6.531
  185   1H2     G  43          H22         G  43  52.176  15.353  -8.556
  186   2H2     G  43          H21         G  43  53.436  16.034  -9.567
  187    H3T    G  43           H3T        G  43  59.023  20.050  -7.858


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