NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
1030 17ra cing 1-original 3 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1  36.434  -5.308  -7.345
    2   2H5*    G   1          2H5*        G   1  37.533  -5.043  -8.723
    3    H4*    G   1           H4*        G   1  36.243  -6.549 -10.082
    4    H3*    G   1           H3*        G   1  34.089  -6.173  -7.960
    5   1H2*    G   1          1H2*        G   1  33.294  -8.345  -8.391
    6   2HO*    G   1          2HO*        G   1  33.856  -9.506 -10.242
    7    H1*    G   1           H1*        G   1  35.757  -9.572  -8.727
    8    H8     G   1           H8         G   1  35.670  -7.179  -5.754
    9    H1     G   1           H1         G   1  33.342 -12.958  -4.361
   10   1H2     G   1          1H2         G   1  33.541 -13.530  -7.800
   11   2H2     G   1          2H2         G   1  33.116 -14.156  -6.224
   12    H5T    G   1           H5T        G   1  35.846  -3.936  -9.762
   13   1H5*    G   2          1H5*        G   2  31.908  -7.466 -11.801
   14   2H5*    G   2          2H5*        G   2  30.337  -6.621 -11.752
   15    H4*    G   2           H4*        G   2  30.320  -9.189 -12.015
   16    H3*    G   2           H3*        G   2  28.882  -7.791  -9.713
   17   1H2*    G   2          1H2*        G   2  28.016  -9.880  -9.045
   18   2HO*    G   2          2HO*        G   2  27.375 -10.684 -11.057
   19    H1*    G   2           H1*        G   2  30.322 -11.357  -9.525
   20    H8     G   2           H8         G   2  31.045  -8.046  -7.786
   21    H1     G   2           H1         G   2  29.191 -12.607  -3.725
   22   1H2     G   2          1H2         G   2  28.437 -14.436  -6.605
   23   2H2     G   2          2H2         G   2  28.464 -14.382  -4.857
   24   1H5*    C   3          1H5*        C   3  24.807  -9.110 -12.148
   25   2H5*    C   3          2H5*        C   3  23.856  -7.730 -11.565
   26    H4*    C   3           H4*        C   3  23.038 -10.170 -11.027
   27    H3*    C   3           H3*        C   3  23.265  -7.915  -8.975
   28   1H2*    C   3          1H2*        C   3  22.294  -9.367  -7.384
   29   2HO*    C   3          2HO*        C   3  20.613 -10.251  -8.558
   30    H1*    C   3           H1*        C   3  23.644 -11.663  -8.184
   31   1H4     C   3          1H4         C   3  27.559  -8.301  -3.985
   32   2H4     C   3          2H4         C   3  26.757  -9.525  -3.028
   33    H5     C   3           H5         C   3  27.069  -7.917  -6.317
   34    H6     C   3           H6         C   3  25.706  -8.619  -8.224
   35   1H5*    G   4          1H5*        G   4  18.796  -9.055  -9.296
   36   2H5*    G   4          2H5*        G   4  17.821  -7.658  -8.769
   37    H4*    G   4           H4*        G   4  17.590 -10.000  -7.571
   38    H3*    G   4           H3*        G   4  17.968  -7.333  -6.126
   39   1H2*    G   4          1H2*        G   4  17.734  -8.483  -4.076
   40   2HO*    G   4          2HO*        G   4  16.922 -10.590  -3.948
   41    H1*    G   4           H1*        G   4  19.178 -10.735  -4.796
   42    H8     G   4           H8         G   4  20.986  -7.595  -5.904
   43    H1     G   4           H1         G   4  21.814  -8.859   0.298
   44   1H2     G   4          1H2         G   4  20.432 -10.478   0.935
   45   2H2     G   4          2H2         G   4  19.309 -11.239  -0.169
   46   1H5*    U   5          1H5*        U   5  13.620  -8.166  -3.803
   47   2H5*    U   5          2H5*        U   5  13.248  -6.464  -4.143
   48    H4*    U   5           H4*        U   5  13.372  -7.270  -1.643
   49    H3*    U   5           H3*        U   5  14.723  -4.785  -2.783
   50   1H2*    U   5          1H2*        U   5  15.521  -4.251  -0.634
   51   2HO*    U   5          2HO*        U   5  14.701  -5.187   1.242
   52    H1*    U   5           H1*        U   5  16.136  -6.836   0.175
   53    H3     U   5           H3         U   5  20.051  -4.441  -0.096
   54    H5     U   5           H5         U   5  19.246  -5.709  -4.036
   55    H6     U   5           H6         U   5  17.062  -6.432  -3.288
   56   1H5*    A   6          1H5*        A   6  12.119  -3.812   0.856
   57   2H5*    A   6          2H5*        A   6  11.489  -2.162   0.668
   58    H4*    A   6           H4*        A   6  12.776  -2.729   2.856
   59    H3*    A   6           H3*        A   6  13.099  -0.339   1.074
   60   1H2*    A   6          1H2*        A   6  15.172   0.211   1.787
   61   2HO*    A   6          2HO*        A   6  14.285  -0.534   4.397
   62    H1*    A   6           H1*        A   6  15.694  -2.126   3.485
   63    H8     A   6           H8         A   6  16.123  -1.811  -0.335
   64   1H6     A   6          1H6         A   6  22.132  -1.008   0.774
   65   2H6     A   6          2H6         A   6  20.918  -1.210  -0.469
   66    H2     A   6           H2         A   6  19.993  -1.143   4.724
   67   1H5*    A   7          1H5*        A   7  12.996   3.918   3.924
   68   2H5*    A   7          2H5*        A   7  13.959   3.027   2.725
   69    H4*    A   7           H4*        A   7  14.622   3.171   5.705
   70    H3*    A   7           H3*        A   7  15.604   4.774   3.305
   71   1H2*    A   7          1H2*        A   7  17.771   4.801   4.215
   72   2HO*    A   7          2HO*        A   7  16.670   3.797   6.655
   73    H1*    A   7           H1*        A   7  17.791   2.203   5.185
   74    H8     A   7           H8         A   7  16.301   2.551   1.679
   75   1H6     A   7          1H6         A   7  22.024   2.006  -0.527
   76   2H6     A   7          2H6         A   7  20.327   2.100  -0.943
   77    H2     A   7           H2         A   7  22.293   2.303   3.948
   78   1H5*    G   8          1H5*        G   8  16.430   7.661   7.074
   79   2H5*    G   8          2H5*        G   8  16.653   9.244   6.283
   80    H4*    G   8           H4*        G   8  18.576   8.179   7.746
   81    H3*    G   8           H3*        G   8  18.960   9.308   4.933
   82   1H2*    G   8          1H2*        G   8  21.274   8.913   5.164
   83   2HO*    G   8          2HO*        G   8  22.250   8.489   7.145
   84    H1*    G   8           H1*        G   8  21.060   6.464   6.449
   85    H8     G   8           H8         G   8  18.671   6.869   3.491
   86    H1     G   8           H1         G   8  24.528   5.030   1.739
   87   1H2     G   8          1H2         G   8  25.377   5.646   5.072
   88   2H2     G   8          2H2         G   8  25.906   5.124   3.488
   89   1H5*    G   9          1H5*        G   9  21.816  11.626   7.453
   90   2H5*    G   9          2H5*        G   9  22.106  13.208   6.687
   91    H4*    G   9           H4*        G   9  24.079  11.487   7.029
   92    H3*    G   9           H3*        G   9  23.471  12.891   4.392
   93   1H2*    G   9          1H2*        G   9  25.472  11.929   3.543
   94   2HO*    G   9          2HO*        G   9  26.061  10.888   6.129
   95    H1*    G   9           H1*        G   9  25.050   9.416   4.600
   96    H8     G   9           H8         G   9  21.675  10.422   3.420
   97    H1     G   9           H1         G   9  25.505   9.184  -1.532
   98   1H2     G   9          1H2         G   9  28.075   9.277   0.832
   99   2H2     G   9          2H2         G   9  27.620   9.060  -0.844
  100   1H5*    A  10          1H5*        A  10  27.271  15.137   5.101
  101   2H5*    A  10          2H5*        A  10  27.130  16.630   4.154
  102    H4*    A  10           H4*        A  10  28.728  14.715   3.315
  103    H3*    A  10           H3*        A  10  26.687  16.215   1.611
  104   1H2*    A  10          1H2*        A  10  27.356  14.965  -0.242
  105   2HO*    A  10          2HO*        A  10  29.611  14.051   1.250
  106    H1*    A  10           H1*        A  10  27.712  12.533   0.999
  107    H8     A  10           H8         A  10  24.467  13.253   2.288
  108   1H6     A  10          1H6         A  10  21.957  13.072  -3.339
  109   2H6     A  10          2H6         A  10  21.624  13.026  -1.622
  110    H2     A  10           H2         A  10  26.420  13.467  -3.792
  111   1H5*    U  11          1H5*        U  11  28.260  15.848  -1.848
  112   2H5*    U  11          2H5*        U  11  29.459  17.145  -1.780
  113    H4*    U  11           H4*        U  11  28.499  17.279  -3.968
  114    H3*    U  11           H3*        U  11  28.293  19.482  -2.333
  115   1H2*    U  11          1H2*        U  11  26.115  19.093  -1.518
  116   2HO*    U  11          2HO*        U  11  25.589  20.443  -3.989
  117    H1*    U  11           H1*        U  11  25.169  18.324  -4.292
  118    H3     U  11           H3         U  11  21.111  17.104  -2.827
  119    H5     U  11           H5         U  11  23.559  16.227   0.491
  120    H6     U  11           H6         U  11  25.464  17.021  -0.780
  121   1H5*    U  12          1H5*        U  12  29.833  17.528  -5.743
  122   2H5*    U  12          2H5*        U  12  30.462  18.191  -7.254
  123    H4*    U  12           H4*        U  12  28.507  16.133  -6.892
  124    H3*    U  12           H3*        U  12  30.355  16.846  -8.759
  125   1H2*    U  12          1H2*        U  12  29.243  18.624  -9.718
  126   2HO*    U  12          2HO*        U  12  28.308  17.983 -11.641
  127    H1*    U  12           H1*        U  12  26.532  17.378  -9.652
  128    H3     U  12           H3         U  12  25.452  21.448 -11.422
  129    H5     U  12           H5         U  12  27.041  22.348  -7.621
  130    H6     U  12           H6         U  12  27.668  20.016  -7.400
  131   1H5*    A  13          1H5*        A  13  31.198  11.713 -10.511
  132   2H5*    A  13          2H5*        A  13  29.625  12.287 -11.095
  133    H4*    A  13           H4*        A  13  30.393  11.224  -8.384
  134    H3*    A  13           H3*        A  13  28.839  10.174 -10.382
  135   1H2*    A  13          1H2*        A  13  27.187  11.875 -10.443
  136   2HO*    A  13          2HO*        A  13  26.029   9.977  -9.998
  137    H1*    A  13           H1*        A  13  27.154  11.948  -7.421
  138    H8     A  13           H8         A  13  26.726  13.980 -10.681
  139   1H6     A  13          1H6         A  13  23.582  17.942  -7.171
  140   2H6     A  13          2H6         A  13  23.957  17.476  -8.815
  141    H2     A  13           H2         A  13  25.718  15.025  -4.491
  142   1H5*    C  14          1H5*        C  14  31.274   8.490  -8.090
  143   2H5*    C  14          2H5*        C  14  31.522   6.955  -7.247
  144    H4*    C  14           H4*        C  14  32.234   8.923  -5.879
  145    H3*    C  14           H3*        C  14  29.919   7.188  -4.929
  146   1H2*    C  14          1H2*        C  14  29.758   8.477  -2.969
  147   2HO*    C  14          2HO*        C  14  31.394   9.875  -2.291
  148    H1*    C  14           H1*        C  14  30.211  10.959  -4.133
  149   1H4     C  14          1H4         C  14  23.788   9.774  -5.140
  150   2H4     C  14          2H4         C  14  23.870  10.216  -3.449
  151    H5     C  14           H5         C  14  25.761   9.508  -6.542
  152    H6     C  14           H6         C  14  28.212   9.392  -6.529
  153   1H5*    C  15          1H5*        C  15  32.980   6.647  -1.757
  154   2H5*    C  15          2H5*        C  15  33.149   4.923  -1.368
  155    H4*    C  15           H4*        C  15  32.651   6.426   0.625
  156    H3*    C  15           H3*        C  15  30.788   4.145  -0.162
  157   1H2*    C  15          1H2*        C  15  29.443   4.608   1.705
  158   2HO*    C  15          2HO*        C  15  30.135   5.881   3.429
  159    H1*    C  15           H1*        C  15  29.590   7.384   1.583
  160   1H4     C  15          1H4         C  15  24.787   5.570  -2.619
  161   2H4     C  15          2H4         C  15  24.052   5.375  -1.044
  162    H5     C  15           H5         C  15  27.120   6.093  -2.932
  163    H6     C  15           H6         C  15  29.245   6.553  -1.807
  164   1H5*    U  16          1H5*        U  16  31.156   2.996   3.868
  165   2H5*    U  16          2H5*        U  16  31.268   1.225   3.908
  166    H4*    U  16           H4*        U  16  29.167   2.371   4.969
  167    H3*    U  16           H3*        U  16  29.068   0.058   2.979
  168   1H2*    U  16          1H2*        U  16  26.719   0.003   3.226
  169   2HO*    U  16          2HO*        U  16  25.648   1.034   4.917
  170    H1*    U  16           H1*        U  16  26.326   2.752   3.326
  171    H3     U  16           H3         U  16  24.300   1.173  -0.483
  172    H5     U  16           H5         U  16  28.385   1.485  -1.479
  173    H6     U  16           H6         U  16  28.857   1.950   0.851
  174   1H5*    A  17          1H5*        A  17  27.226  -0.832   7.205
  175   2H5*    A  17          2H5*        A  17  27.766  -2.471   7.625
  176    H4*    A  17           H4*        A  17  25.363  -2.005   8.231
  177    H3*    A  17           H3*        A  17  26.048  -4.193   6.248
  178   1H2*    A  17          1H2*        A  17  23.755  -4.760   6.138
  179   2HO*    A  17          2HO*        A  17  22.244  -4.013   7.635
  180    H1*    A  17           H1*        A  17  22.748  -2.193   6.109
  181    H8     A  17           H8         A  17  25.758  -2.205   3.865
  182   1H6     A  17          1H6         A  17  22.300  -4.715  -0.565
  183   2H6     A  17          2H6         A  17  23.839  -3.974  -0.191
  184    H2     A  17           H2         A  17  19.938  -4.827   3.262
  185   1H5*    U  18          1H5*        U  18  23.874  -6.478   8.815
  186   2H5*    U  18          2H5*        U  18  24.540  -8.119   8.955
  187    H4*    U  18           H4*        U  18  22.300  -7.993   7.774
  188    H3*    U  18           H3*        U  18  24.765  -9.062   6.325
  189   1H2*    U  18          1H2*        U  18  23.413  -9.576   4.470
  190   2HO*    U  18          2HO*        U  18  21.670 -10.555   5.471
  191    H1*    U  18           H1*        U  18  21.807  -7.309   4.574
  192    H3     U  18           H3         U  18  24.291  -7.293   0.681
  193    H5     U  18           H5         U  18  26.810  -5.631   3.629
  194    H6     U  18           H6         U  18  25.173  -6.258   5.304
  195   1H5*    G  19          1H5*        G  19  22.311 -13.546   6.644
  196   2H5*    G  19          2H5*        G  19  23.894 -14.363   6.569
  197    H4*    G  19           H4*        G  19  21.997 -14.916   4.812
  198    H3*    G  19           H3*        G  19  24.887 -14.248   4.076
  199   1H2*    G  19          1H2*        G  19  24.350 -14.760   1.833
  200   2HO*    G  19          2HO*        G  19  22.486 -15.860   1.246
  201    H1*    G  19           H1*        G  19  21.854 -13.544   1.842
  202    H8     G  19           H8         G  19  24.490 -11.435   3.595
  203    H1     G  19           H1         G  19  24.716 -10.852  -2.751
  204   1H2     G  19          1H2         G  19  22.456 -13.510  -2.777
  205   2H2     G  19          2H2         G  19  23.392 -12.361  -3.708
  206   1H5*    C  20          1H5*        C  20  24.256 -18.244   2.124
  207   2H5*    C  20          2H5*        C  20  25.771 -19.130   2.387
  208    H4*    C  20           H4*        C  20  25.056 -18.999  -0.034
  209    H3*    C  20           H3*        C  20  27.698 -17.695   0.796
  210   1H2*    C  20          1H2*        C  20  28.114 -17.367  -1.514
  211   2HO*    C  20          2HO*        C  20  25.840 -18.999  -2.091
  212    H1*    C  20           H1*        C  20  25.508 -16.645  -2.175
  213   1H4     C  20          1H4         C  20  28.640 -11.200  -0.004
  214   2H4     C  20          2H4         C  20  28.858 -11.212  -1.738
  215    H5     C  20           H5         C  20  27.584 -13.002   1.207
  216    H6     C  20           H6         C  20  26.515 -15.194   1.013
  217   1H5*    C  21          1H5*        C  21  28.504 -20.970  -2.214
  218   2H5*    C  21          2H5*        C  21  30.143 -21.610  -1.978
  219    H4*    C  21           H4*        C  21  29.485 -20.610  -4.318
  220    H3*    C  21           H3*        C  21  32.032 -19.932  -2.770
  221   1H2*    C  21          1H2*        C  21  32.733 -18.626  -4.605
  222   2HO*    C  21          2HO*        C  21  31.753 -18.767  -6.642
  223    H1*    C  21           H1*        C  21  30.237 -17.545  -5.205
  224   1H4     C  21          1H4         C  21  32.994 -13.798  -0.455
  225   2H4     C  21          2H4         C  21  33.376 -13.013  -1.971
  226    H5     C  21           H5         C  21  31.869 -15.929  -0.318
  227    H6     C  21           H6         C  21  30.873 -17.760  -1.601
  228    H3T    C  21           H3T        C  21  32.875 -21.422  -4.267
   
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1  35.579 -10.837 -11.606
    2   2H5*    G   1          2H5*        G   1  35.887 -11.650 -10.048
    3    H4*    G   1           H4*        G   1  34.492 -12.838 -12.516
    4    H3*    G   1           H3*        G   1  33.455 -11.650  -9.907
    5   1H2*    G   1          1H2*        G   1  31.730 -13.248  -9.869
    6   2HO*    G   1          2HO*        G   1  30.920 -14.147 -11.638
    7    H1*    G   1           H1*        G   1  33.214 -15.405 -10.780
    8    H8     G   1           H8         G   1  35.160 -13.430  -8.191
    9    H1     G   1           H1         G   1  30.887 -17.371  -5.548
   10   1H2     G   1          1H2         G   1  29.705 -17.775  -8.809
   11   2H2     G   1          2H2         G   1  29.543 -18.197  -7.120
   12    H5T    G   1           H5T        G   1  36.972 -12.266 -12.601
   13   1H5*    G   2          1H5*        G   2  29.996 -11.836 -12.961
   14   2H5*    G   2          2H5*        G   2  29.003 -10.384 -12.662
   15    H4*    G   2           H4*        G   2  27.820 -12.686 -12.731
   16    H3*    G   2           H3*        G   2  27.622 -10.811 -10.332
   17   1H2*    G   2          1H2*        G   2  26.097 -12.302  -9.333
   18   2HO*    G   2          2HO*        G   2  25.111 -13.992 -10.501
   19    H1*    G   2           H1*        G   2  27.375 -14.649 -10.099
   20    H8     G   2           H8         G   2  29.908 -12.132  -8.849
   21    H1     G   2           H1         G   2  26.879 -15.079  -4.068
   22   1H2     G   2          1H2         G   2  24.757 -16.290  -6.562
   23   2H2     G   2          2H2         G   2  25.155 -16.243  -4.859
   24   1H5*    C   3          1H5*        C   3  23.270 -10.847 -11.985
   25   2H5*    C   3          2H5*        C   3  22.547  -9.319 -11.442
   26    H4*    C   3           H4*        C   3  21.509 -11.590 -10.621
   27    H3*    C   3           H3*        C   3  22.202  -9.229  -8.810
   28   1H2*    C   3          1H2*        C   3  21.254 -10.421  -7.007
   29   2HO*    C   3          2HO*        C   3  20.243 -12.346  -8.859
   30    H1*    C   3           H1*        C   3  22.232 -12.925  -7.721
   31   1H4     C   3          1H4         C   3  26.918  -9.750  -4.223
   32   2H4     C   3          2H4         C   3  26.078 -10.784  -3.088
   33    H5     C   3           H5         C   3  26.246  -9.501  -6.530
   34    H6     C   3           H6         C   3  24.625 -10.180  -8.233
   35   1H5*    G   4          1H5*        G   4  17.777 -10.167  -8.510
   36   2H5*    G   4          2H5*        G   4  16.864  -8.717  -8.020
   37    H4*    G   4           H4*        G   4  16.737 -10.941  -6.601
   38    H3*    G   4           H3*        G   4  17.262  -8.163  -5.442
   39   1H2*    G   4          1H2*        G   4  17.216  -9.122  -3.284
   40   2HO*    G   4          2HO*        G   4  16.390 -11.175  -2.881
   41    H1*    G   4           H1*        G   4  18.578 -11.447  -3.932
   42    H8     G   4           H8         G   4  20.294  -8.449  -5.485
   43    H1     G   4           H1         G   4  21.718  -9.178   0.693
   44   1H2     G   4          1H2         G   4  20.379 -10.694   1.610
   45   2H2     G   4          2H2         G   4  19.138 -11.524   0.697
   46   1H5*    U   5          1H5*        U   5  13.616  -9.031  -2.684
   47   2H5*    U   5          2H5*        U   5  12.744  -7.527  -3.047
   48    H4*    U   5           H4*        U   5  13.212  -7.875  -0.585
   49    H3*    U   5           H3*        U   5  14.368  -5.472  -2.063
   50   1H2*    U   5          1H2*        U   5  15.277  -4.682  -0.042
   51   2HO*    U   5          2HO*        U   5  13.710  -6.639   1.331
   52    H1*    U   5           H1*        U   5  16.058  -7.137   0.990
   53    H3     U   5           H3         U   5  19.849  -4.657   0.218
   54    H5     U   5           H5         U   5  18.863  -6.384  -3.502
   55    H6     U   5           H6         U   5  16.755  -7.083  -2.546
   56   1H5*    A   6          1H5*        A   6  12.007  -4.181   1.637
   57   2H5*    A   6          2H5*        A   6  11.265  -2.607   1.283
   58    H4*    A   6           H4*        A   6  12.697  -2.734   3.414
   59    H3*    A   6           H3*        A   6  12.998  -0.710   1.203
   60   1H2*    A   6          1H2*        A   6  15.020   0.055   1.901
   61   2HO*    A   6          2HO*        A   6  14.170  -0.543   4.561
   62    H1*    A   6           H1*        A   6  15.744  -2.083   3.716
   63    H8     A   6           H8         A   6  15.636  -2.206  -0.137
   64   1H6     A   6          1H6         A   6  21.723  -1.274   0.023
   65   2H6     A   6          2H6         A   6  20.351  -1.610  -1.008
   66    H2     A   6           H2         A   6  20.162  -1.003   4.230
   67   1H5*    A   7          1H5*        A   7  13.083   3.955   3.226
   68   2H5*    A   7          2H5*        A   7  13.992   2.762   2.272
   69    H4*    A   7           H4*        A   7  14.597   3.291   5.212
   70    H3*    A   7           H3*        A   7  15.635   4.706   2.717
   71   1H2*    A   7          1H2*        A   7  17.782   4.792   3.676
   72   2HO*    A   7          2HO*        A   7  16.609   3.987   6.157
   73    H1*    A   7           H1*        A   7  17.756   2.278   4.851
   74    H8     A   7           H8         A   7  16.387   2.290   1.287
   75   1H6     A   7          1H6         A   7  22.196   1.643  -0.663
   76   2H6     A   7          2H6         A   7  20.513   1.657  -1.143
   77    H2     A   7           H2         A   7  22.299   2.386   3.768
   78   1H5*    G   8          1H5*        G   8  16.184   7.101   6.745
   79   2H5*    G   8          2H5*        G   8  16.503   8.818   6.385
   80    H4*    G   8           H4*        G   8  18.138   7.432   7.928
   81    H3*    G   8           H3*        G   8  18.991   9.190   5.586
   82   1H2*    G   8          1H2*        G   8  21.242   8.710   6.074
   83   2HO*    G   8          2HO*        G   8  20.386   7.545   8.538
   84    H1*    G   8           H1*        G   8  20.907   6.036   6.721
   85    H8     G   8           H8         G   8  18.973   7.005   3.590
   86    H1     G   8           H1         G   8  25.150   5.891   2.427
   87   1H2     G   8          1H2         G   8  25.460   5.785   5.906
   88   2H2     G   8          2H2         G   8  26.250   5.655   4.351
   89   1H5*    G   9          1H5*        G   9  21.300  10.595   9.177
   90   2H5*    G   9          2H5*        G   9  21.657  12.330   8.987
   91    H4*    G   9           H4*        G   9  23.608  10.573   9.251
   92    H3*    G   9           H3*        G   9  23.499  12.701   7.070
   93   1H2*    G   9          1H2*        G   9  25.694  12.023   6.448
   94   2HO*    G   9          2HO*        G   9  26.943  10.661   7.715
   95    H1*    G   9           H1*        G   9  25.200   9.313   6.581
   96    H8     G   9           H8         G   9  22.084  10.649   5.073
   97    H1     G   9           H1         G   9  26.900  11.006   0.898
   98   1H2     G   9          1H2         G   9  28.931  10.305   3.654
   99   2H2     G   9          2H2         G   9  28.835  10.632   1.939
  100   1H5*    A  10          1H5*        A  10  26.899  14.662   9.209
  101   2H5*    A  10          2H5*        A  10  26.825  16.367   8.730
  102    H4*    A  10           H4*        A  10  28.704  14.825   7.725
  103    H3*    A  10           H3*        A  10  26.920  16.733   6.143
  104   1H2*    A  10          1H2*        A  10  28.038  16.114   4.190
  105   2HO*    A  10          2HO*        A  10  30.022  14.832   5.791
  106    H1*    A  10           H1*        A  10  28.334  13.427   4.714
  107    H8     A  10           H8         A  10  24.848  13.720   5.467
  108   1H6     A  10          1H6         A  10  23.509  15.125  -0.384
  109   2H6     A  10          2H6         A  10  22.849  14.595   1.147
  110    H2     A  10           H2         A  10  27.943  15.645   0.219
  111   1H5*    U  11          1H5*        U  11  29.236  17.423   3.156
  112   2H5*    U  11          2H5*        U  11  30.267  18.682   3.849
  113    H4*    U  11           H4*        U  11  29.789  19.390   1.610
  114    H3*    U  11           H3*        U  11  29.063  21.050   3.677
  115   1H2*    U  11          1H2*        U  11  26.799  20.406   3.842
  116   2HO*    U  11          2HO*        U  11  25.592  22.066   2.848
  117    H1*    U  11           H1*        U  11  26.534  20.425   0.826
  118    H3     U  11           H3         U  11  22.374  18.759   0.931
  119    H5     U  11           H5         U  11  24.099  17.067   4.386
  120    H6     U  11           H6         U  11  26.165  18.216   3.844
  121   1H5*    U  12          1H5*        U  12  31.417  20.123   0.350
  122   2H5*    U  12          2H5*        U  12  32.337  21.183  -0.719
  123    H4*    U  12           H4*        U  12  30.540  19.074  -1.425
  124    H3*    U  12           H3*        U  12  32.714  20.307  -2.500
  125   1H2*    U  12          1H2*        U  12  31.729  22.258  -3.222
  126   2HO*    U  12          2HO*        U  12  32.366  21.685  -5.193
  127    H1*    U  12           H1*        U  12  29.201  20.993  -4.184
  128    H3     U  12           H3         U  12  28.249  25.377  -5.047
  129    H5     U  12           H5         U  12  28.763  25.218  -0.864
  130    H6     U  12           H6         U  12  29.517  22.924  -1.105
  131   1H5*    A  13          1H5*        A  13  33.931  16.424  -6.218
  132   2H5*    A  13          2H5*        A  13  32.471  16.364  -7.221
  133    H4*    A  13           H4*        A  13  32.986  15.009  -4.730
  134    H3*    A  13           H3*        A  13  31.481  14.517  -6.962
  135   1H2*    A  13          1H2*        A  13  29.767  16.088  -6.540
  136   2HO*    A  13          2HO*        A  13  27.985  14.922  -5.797
  137    H1*    A  13           H1*        A  13  29.736  15.316  -3.619
  138    H8     A  13           H8         A  13  29.582  18.344  -6.068
  139   1H6     A  13          1H6         A  13  25.778  20.764  -1.872
  140   2H6     A  13          2H6         A  13  26.397  20.936  -3.499
  141    H2     A  13           H2         A  13  27.656  17.039  -0.178
  142   1H5*    C  14          1H5*        C  14  33.452  11.553  -5.065
  143   2H5*    C  14          2H5*        C  14  33.235   9.837  -4.691
  144    H4*    C  14           H4*        C  14  34.081  11.268  -2.759
  145    H3*    C  14           H3*        C  14  31.517   9.634  -2.579
  146   1H2*    C  14          1H2*        C  14  31.254  10.295  -0.339
  147   2HO*    C  14          2HO*        C  14  32.922  11.211   0.870
  148    H1*    C  14           H1*        C  14  32.066  12.937  -0.649
  149   1H4     C  14          1H4         C  14  25.720  12.890  -2.489
  150   2H4     C  14          2H4         C  14  25.640  12.718  -0.751
  151    H5     C  14           H5         C  14  27.815  12.905  -3.727
  152    H6     C  14           H6         C  14  30.233  12.508  -3.558
  153   1H5*    C  15          1H5*        C  15  33.858   8.105   0.706
  154   2H5*    C  15          2H5*        C  15  34.015   6.341   0.581
  155    H4*    C  15           H4*        C  15  33.227   7.106   2.841
  156    H3*    C  15           H3*        C  15  31.400   5.389   1.104
  157   1H2*    C  15          1H2*        C  15  29.826   5.334   2.848
  158   2HO*    C  15          2HO*        C  15  30.330   5.925   4.969
  159    H1*    C  15           H1*        C  15  30.127   7.972   3.687
  160   1H4     C  15          1H4         C  15  25.835   8.084  -1.370
  161   2H4     C  15          2H4         C  15  24.888   7.476  -0.031
  162    H5     C  15           H5         C  15  28.218   8.445  -1.247
  163    H6     C  15           H6         C  15  30.201   8.306   0.184
  164   1H5*    U  16          1H5*        U  16  31.393   3.204   4.777
  165   2H5*    U  16          2H5*        U  16  31.482   1.464   4.432
  166    H4*    U  16           H4*        U  16  29.391   2.412   5.717
  167    H3*    U  16           H3*        U  16  29.282   0.519   3.323
  168   1H2*    U  16          1H2*        U  16  26.932   0.424   3.564
  169   2HO*    U  16          2HO*        U  16  26.287   0.279   5.574
  170    H1*    U  16           H1*        U  16  26.554   3.105   4.182
  171    H3     U  16           H3         U  16  24.499   2.333   0.158
  172    H5     U  16           H5         U  16  28.596   2.645  -0.783
  173    H6     U  16           H6         U  16  29.078   2.699   1.589
  174   1H5*    A  17          1H5*        A  17  27.451  -0.815   7.297
  175   2H5*    A  17          2H5*        A  17  27.911  -2.502   7.603
  176    H4*    A  17           H4*        A  17  25.528  -1.907   8.258
  177    H3*    A  17           H3*        A  17  26.119  -4.088   6.237
  178   1H2*    A  17          1H2*        A  17  23.812  -4.551   6.120
  179   2HO*    A  17          2HO*        A  17  22.338  -3.821   7.656
  180    H1*    A  17           H1*        A  17  22.896  -1.943   6.222
  181    H8     A  17           H8         A  17  25.704  -1.843   3.798
  182   1H6     A  17          1H6         A  17  22.086  -4.481  -0.435
  183   2H6     A  17          2H6         A  17  23.607  -3.662  -0.156
  184    H2     A  17           H2         A  17  20.003  -4.767   3.538
  185   1H5*    U  18          1H5*        U  18  23.903  -6.212   8.897
  186   2H5*    U  18          2H5*        U  18  24.473  -7.881   9.105
  187    H4*    U  18           H4*        U  18  22.215  -7.704   7.990
  188    H3*    U  18           H3*        U  18  24.579  -8.932   6.500
  189   1H2*    U  18          1H2*        U  18  23.153  -9.447   4.704
  190   2HO*    U  18          2HO*        U  18  21.407 -10.312   5.833
  191    H1*    U  18           H1*        U  18  21.646  -7.113   4.775
  192    H3     U  18           H3         U  18  24.014  -7.334   0.818
  193    H5     U  18           H5         U  18  26.676  -5.662   3.631
  194    H6     U  18           H6         U  18  25.068  -6.171   5.372
  195   1H5*    G  19          1H5*        G  19  21.699 -12.982   7.229
  196   2H5*    G  19          2H5*        G  19  23.061 -14.131   7.167
  197    H4*    G  19           H4*        G  19  20.985 -14.435   5.577
  198    H3*    G  19           H3*        G  19  23.888 -14.436   4.620
  199   1H2*    G  19          1H2*        G  19  23.095 -15.012   2.471
  200   2HO*    G  19          2HO*        G  19  20.988 -15.731   2.103
  201    H1*    G  19           H1*        G  19  20.886 -13.332   2.498
  202    H8     G  19           H8         G  19  23.908 -11.512   3.860
  203    H1     G  19           H1         G  19  23.976 -11.870  -2.509
  204   1H2     G  19          1H2         G  19  21.324 -14.104  -2.107
  205   2H2     G  19          2H2         G  19  22.390 -13.265  -3.212
  206   1H5*    C  20          1H5*        C  20  22.039 -18.520   3.422
  207   2H5*    C  20          2H5*        C  20  23.399 -19.662   3.428
  208    H4*    C  20           H4*        C  20  22.009 -19.486   1.252
  209    H3*    C  20           H3*        C  20  25.046 -19.104   1.281
  210   1H2*    C  20          1H2*        C  20  24.948 -19.058  -1.085
  211   2HO*    C  20          2HO*        C  20  22.206 -19.849  -0.939
  212    H1*    C  20           H1*        C  20  22.621 -17.539  -1.252
  213   1H4     C  20          1H4         C  20  27.743 -13.361  -0.545
  214   2H4     C  20          2H4         C  20  27.521 -13.549  -2.269
  215    H5     C  20           H5         C  20  26.495 -14.624   1.092
  216    H6     C  20           H6         C  20  24.775 -16.334   1.424
  217   1H5*    C  21          1H5*        C  21  23.999 -22.597  -1.362
  218   2H5*    C  21          2H5*        C  21  25.345 -23.754  -1.392
  219    H4*    C  21           H4*        C  21  24.502 -22.712  -3.654
  220    H3*    C  21           H3*        C  21  27.425 -22.882  -2.777
  221   1H2*    C  21          1H2*        C  21  28.048 -22.003  -4.876
  222   2HO*    C  21          2HO*        C  21  26.713 -23.255  -6.208
  223    H1*    C  21           H1*        C  21  25.977 -20.150  -5.077
  224   1H4     C  21          1H4         C  21  30.870 -17.368  -1.539
  225   2H4     C  21          2H4         C  21  31.124 -16.859  -3.193
  226    H5     C  21           H5         C  21  29.165 -18.946  -0.892
  227    H6     C  21           H6         C  21  27.342 -20.373  -1.686
  228    H3T    C  21           H3T        C  21  27.352 -24.670  -4.145
   
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1  34.058  -3.216  -9.003
    2   2H5*    G   1          2H5*        G   1  34.258  -3.681  -7.293
    3    H4*    G   1           H4*        G   1  35.086  -5.307  -9.766
    4    H3*    G   1           H3*        G   1  32.689  -5.445  -7.886
    5   1H2*    G   1          1H2*        G   1  32.707  -7.791  -8.041
    6   2HO*    G   1          2HO*        G   1  32.944  -8.050 -10.258
    7    H1*    G   1           H1*        G   1  35.456  -8.135  -8.004
    8    H8     G   1           H8         G   1  34.326  -5.570  -5.432
    9    H1     G   1           H1         G   1  33.646 -11.574  -3.378
   10   1H2     G   1          1H2         G   1  34.354 -12.464  -6.677
   11   2H2     G   1          2H2         G   1  33.966 -12.998  -5.057
   12    H5T    G   1           H5T        G   1  36.257  -3.079  -9.214
   13   1H5*    G   2          1H5*        G   2  31.093  -7.598 -11.722
   14   2H5*    G   2          2H5*        G   2  29.398  -7.043 -11.800
   15    H4*    G   2           H4*        G   2  29.785  -9.574 -11.837
   16    H3*    G   2           H3*        G   2  28.139  -8.264  -9.629
   17   1H2*    G   2          1H2*        G   2  27.650 -10.394  -8.757
   18   2HO*    G   2          2HO*        G   2  28.011 -12.299  -9.931
   19    H1*    G   2           H1*        G   2  30.162 -11.512  -9.163
   20    H8     G   2           H8         G   2  30.427  -7.998  -7.749
   21    H1     G   2           H1         G   2  29.186 -12.346  -3.246
   22   1H2     G   2          1H2         G   2  28.662 -14.523  -5.928
   23   2H2     G   2          2H2         G   2  28.689 -14.300  -4.194
   24   1H5*    C   3          1H5*        C   3  24.164 -10.308 -11.801
   25   2H5*    C   3          2H5*        C   3  23.154  -8.926 -11.331
   26    H4*    C   3           H4*        C   3  22.510 -11.329 -10.483
   27    H3*    C   3           H3*        C   3  22.704  -8.860  -8.686
   28   1H2*    C   3          1H2*        C   3  21.837 -10.198  -6.936
   29   2HO*    C   3          2HO*        C   3  20.192 -11.239  -8.172
   30    H1*    C   3           H1*        C   3  23.299 -12.482  -7.556
   31   1H4     C   3          1H4         C   3  27.097  -8.496  -3.815
   32   2H4     C   3          2H4         C   3  26.354  -9.632  -2.710
   33    H5     C   3           H5         C   3  26.572  -8.410  -6.172
   34    H6     C   3           H6         C   3  25.220  -9.385  -7.964
   35   1H5*    G   4          1H5*        G   4  18.220 -10.116  -8.717
   36   2H5*    G   4          2H5*        G   4  17.269  -8.676  -8.264
   37    H4*    G   4           H4*        G   4  17.115 -10.902  -6.852
   38    H3*    G   4           H3*        G   4  17.572  -8.123  -5.661
   39   1H2*    G   4          1H2*        G   4  17.430  -9.103  -3.514
   40   2HO*    G   4          2HO*        G   4  16.605 -11.566  -4.687
   41    H1*    G   4           H1*        G   4  18.841 -11.407  -4.122
   42    H8     G   4           H8         G   4  20.571  -8.349  -5.555
   43    H1     G   4           H1         G   4  21.774  -9.198   0.655
   44   1H2     G   4          1H2         G   4  20.429 -10.761   1.484
   45   2H2     G   4          2H2         G   4  19.239 -11.590   0.505
   46   1H5*    U   5          1H5*        U   5  13.481  -8.824  -3.003
   47   2H5*    U   5          2H5*        U   5  12.976  -7.180  -3.445
   48    H4*    U   5           H4*        U   5  13.291  -7.732  -0.914
   49    H3*    U   5           H3*        U   5  14.525  -5.333  -2.337
   50   1H2*    U   5          1H2*        U   5  15.419  -4.603  -0.287
   51   2HO*    U   5          2HO*        U   5  14.713  -5.374   1.703
   52    H1*    U   5           H1*        U   5  16.126  -7.099   0.706
   53    H3     U   5           H3         U   5  19.958  -4.644   0.035
   54    H5     U   5           H5         U   5  19.033  -6.339  -3.714
   55    H6     U   5           H6         U   5  16.897  -7.019  -2.808
   56   1H5*    A   6          1H5*        A   6  12.053  -4.090   1.335
   57   2H5*    A   6          2H5*        A   6  11.373  -2.481   1.017
   58    H4*    A   6           H4*        A   6  12.736  -2.782   3.200
   59    H3*    A   6           H3*        A   6  13.036  -0.603   1.149
   60   1H2*    A   6          1H2*        A   6  15.084   0.072   1.845
   61   2HO*    A   6          2HO*        A   6  15.568   0.057   4.179
   62    H1*    A   6           H1*        A   6  15.706  -2.128   3.657
   63    H8     A   6           H8         A   6  15.896  -2.121  -0.192
   64   1H6     A   6          1H6         A   6  21.942  -1.134   0.465
   65   2H6     A   6          2H6         A   6  20.658  -1.452  -0.679
   66    H2     A   6           H2         A   6  20.056  -0.995   4.543
   67   1H5*    A   7          1H5*        A   7  13.042   3.932   3.512
   68   2H5*    A   7          2H5*        A   7  13.979   2.875   2.432
   69    H4*    A   7           H4*        A   7  14.637   3.266   5.389
   70    H3*    A   7           H3*        A   7  15.612   4.738   2.903
   71   1H2*    A   7          1H2*        A   7  17.779   4.821   3.812
   72   2HO*    A   7          2HO*        A   7  16.670   3.964   6.304
   73    H1*    A   7           H1*        A   7  17.804   2.283   4.935
   74    H8     A   7           H8         A   7  16.336   2.351   1.413
   75   1H6     A   7          1H6         A   7  22.090   1.811  -0.723
   76   2H6     A   7          2H6         A   7  20.394   1.816  -1.153
   77    H2     A   7           H2         A   7  22.321   2.462   3.716
   78   1H5*    G   8          1H5*        G   8  16.277   7.336   6.899
   79   2H5*    G   8          2H5*        G   8  16.574   9.009   6.353
   80    H4*    G   8           H4*        G   8  18.301   7.768   7.922
   81    H3*    G   8           H3*        G   8  19.006   9.282   5.369
   82   1H2*    G   8          1H2*        G   8  21.283   8.836   5.757
   83   2HO*    G   8          2HO*        G   8  22.051   8.082   7.761
   84    H1*    G   8           H1*        G   8  20.987   6.240   6.684
   85    H8     G   8           H8         G   8  18.875   7.021   3.595
   86    H1     G   8           H1         G   8  24.890   5.428   2.167
   87   1H2     G   8          1H2         G   8  25.424   5.616   5.617
   88   2H2     G   8          2H2         G   8  26.101   5.300   4.035
   89   1H5*    G   9          1H5*        G   9  21.611  11.088   8.492
   90   2H5*    G   9          2H5*        G   9  21.942  12.781   8.043
   91    H4*    G   9           H4*        G   9  23.907  11.029   8.256
   92    H3*    G   9           H3*        G   9  23.510  12.875   5.858
   93   1H2*    G   9          1H2*        G   9  25.593  12.079   5.039
   94   2HO*    G   9          2HO*        G   9  26.998  10.850   6.303
   95    H1*    G   9           H1*        G   9  25.143   9.417   5.643
   96    H8     G   9           H8         G   9  21.887  10.567   4.273
   97    H1     G   9           H1         G   9  26.254  10.153  -0.366
   98   1H2     G   9          1H2         G   9  28.551   9.874   2.253
   99   2H2     G   9          2H2         G   9  28.284   9.922   0.525
  100   1H5*    A  10          1H5*        A  10  27.176  15.075   7.161
  101   2H5*    A  10          2H5*        A  10  27.000  16.688   6.449
  102    H4*    A  10           H4*        A  10  28.711  14.986   5.397
  103    H3*    A  10           H3*        A  10  26.673  16.657   3.854
  104   1H2*    A  10          1H2*        A  10  27.460  15.728   1.859
  105   2HO*    A  10          2HO*        A  10  29.700  14.720   3.316
  106    H1*    A  10           H1*        A  10  27.867  13.147   2.739
  107    H8     A  10           H8         A  10  24.533  13.708   4.009
  108   1H6     A  10          1H6         A  10  22.274  13.914  -1.724
  109   2H6     A  10          2H6         A  10  21.865  13.739  -0.032
  110    H2     A  10           H2         A  10  26.748  14.376  -1.936
  111   1H5*    U  11          1H5*        U  11  28.867  16.886   0.531
  112   2H5*    U  11          2H5*        U  11  29.840  18.315   0.903
  113    H4*    U  11           H4*        U  11  29.149  18.538  -1.404
  114    H3*    U  11           H3*        U  11  28.530  20.540   0.375
  115   1H2*    U  11          1H2*        U  11  26.323  19.854   0.881
  116   2HO*    U  11          2HO*        U  11  26.147  21.985   0.099
  117    H1*    U  11           H1*        U  11  25.778  19.310  -2.040
  118    H3     U  11           H3         U  11  21.742  17.532  -1.246
  119    H5     U  11           H5         U  11  23.770  16.788   2.374
  120    H6     U  11           H6         U  11  25.742  17.814   1.411
  121   1H5*    U  12          1H5*        U  12  31.070  19.841  -2.765
  122   2H5*    U  12          2H5*        U  12  31.631  20.682  -4.218
  123    H4*    U  12           H4*        U  12  29.998  18.331  -4.020
  124    H3*    U  12           H3*        U  12  31.752  19.427  -5.775
  125   1H2*    U  12          1H2*        U  12  30.424  21.040  -6.739
  126   2HO*    U  12          2HO*        U  12  30.897  19.762  -8.513
  127    H1*    U  12           H1*        U  12  27.963  19.335  -6.799
  128    H3     U  12           H3         U  12  26.189  23.165  -8.514
  129    H5     U  12           H5         U  12  27.538  24.274  -4.676
  130    H6     U  12           H6         U  12  28.572  22.089  -4.477
  131   1H5*    A  13          1H5*        A  13  32.935  14.792  -8.430
  132   2H5*    A  13          2H5*        A  13  31.459  14.479  -9.361
  133    H4*    A  13           H4*        A  13  32.122  13.585  -6.705
  134    H3*    A  13           H3*        A  13  30.597  12.651  -8.776
  135   1H2*    A  13          1H2*        A  13  28.805  14.171  -8.555
  136   2HO*    A  13          2HO*        A  13  27.113  13.050  -7.578
  137    H1*    A  13           H1*        A  13  28.889  13.893  -5.545
  138    H8     A  13           H8         A  13  28.535  16.473  -8.443
  139   1H6     A  13          1H6         A  13  24.684  19.348  -4.592
  140   2H6     A  13          2H6         A  13  25.278  19.298  -6.236
  141    H2     A  13           H2         A  13  26.742  16.008  -2.386
  142   1H5*    C  14          1H5*        C  14  32.760  10.149  -6.442
  143   2H5*    C  14          2H5*        C  14  32.643   8.503  -5.802
  144    H4*    C  14           H4*        C  14  33.410  10.270  -4.129
  145    H3*    C  14           H3*        C  14  30.958   8.522  -3.665
  146   1H2*    C  14          1H2*        C  14  30.658   9.504  -1.552
  147   2HO*    C  14          2HO*        C  14  33.241  10.699  -1.834
  148    H1*    C  14           H1*        C  14  31.285  12.112  -2.276
  149   1H4     C  14          1H4         C  14  24.959  11.357  -4.017
  150   2H4     C  14          2H4         C  14  24.895  11.407  -2.269
  151    H5     C  14           H5         C  14  27.052  11.365  -5.273
  152    H6     C  14           H6         C  14  29.493  11.166  -5.073
  153   1H5*    C  15          1H5*        C  15  33.482   7.627  -0.241
  154   2H5*    C  15          2H5*        C  15  33.711   5.872  -0.087
  155    H4*    C  15           H4*        C  15  32.935   6.978   2.041
  156    H3*    C  15           H3*        C  15  31.188   4.890   0.671
  157   1H2*    C  15          1H2*        C  15  29.648   5.038   2.437
  158   2HO*    C  15          2HO*        C  15  30.151   6.053   4.410
  159    H1*    C  15           H1*        C  15  29.790   7.793   2.808
  160   1H4     C  15          1H4         C  15  25.462   6.767  -2.115
  161   2H4     C  15          2H4         C  15  24.565   6.338  -0.676
  162    H5     C  15           H5         C  15  27.817   7.291  -2.097
  163    H6     C  15           H6         C  15  29.813   7.528  -0.700
  164   1H5*    U  16          1H5*        U  16  31.267   3.145   4.575
  165   2H5*    U  16          2H5*        U  16  31.372   1.384   4.373
  166    H4*    U  16           H4*        U  16  29.233   2.418   5.499
  167    H3*    U  16           H3*        U  16  29.207   0.350   3.252
  168   1H2*    U  16          1H2*        U  16  26.850   0.266   3.434
  169   2HO*    U  16          2HO*        U  16  26.217   0.237   5.465
  170    H1*    U  16           H1*        U  16  26.458   2.985   3.832
  171    H3     U  16           H3         U  16  24.507   1.922  -0.173
  172    H5     U  16           H5         U  16  28.627   2.171  -1.031
  173    H6     U  16           H6         U  16  29.049   2.384   1.344
  174   1H5*    A  17          1H5*        A  17  27.272  -0.780   7.302
  175   2H5*    A  17          2H5*        A  17  27.706  -2.463   7.663
  176    H4*    A  17           H4*        A  17  25.306  -1.809   8.227
  177    H3*    A  17           H3*        A  17  25.951  -4.088   6.335
  178   1H2*    A  17          1H2*        A  17  23.648  -4.543   6.147
  179   2HO*    A  17          2HO*        A  17  23.157  -2.734   8.298
  180    H1*    A  17           H1*        A  17  22.748  -1.930   6.077
  181    H8     A  17           H8         A  17  25.686  -1.981   3.800
  182   1H6     A  17          1H6         A  17  22.222  -4.709  -0.505
  183   2H6     A  17          2H6         A  17  23.744  -3.906  -0.181
  184    H2     A  17           H2         A  17  19.947  -4.807   3.372
  185   1H5*    U  18          1H5*        U  18  23.591  -6.117   8.934
  186   2H5*    U  18          2H5*        U  18  24.145  -7.781   9.204
  187    H4*    U  18           H4*        U  18  21.953  -7.625   7.961
  188    H3*    U  18           H3*        U  18  24.391  -8.873   6.611
  189   1H2*    U  18          1H2*        U  18  23.041  -9.439   4.769
  190   2HO*    U  18          2HO*        U  18  20.744  -8.707   6.304
  191    H1*    U  18           H1*        U  18  21.544  -7.095   4.723
  192    H3     U  18           H3         U  18  24.091  -7.400   0.882
  193    H5     U  18           H5         U  18  26.630  -5.692   3.783
  194    H6     U  18           H6         U  18  24.941  -6.158   5.457
  195   1H5*    G  19          1H5*        G  19  22.497 -13.516   7.349
  196   2H5*    G  19          2H5*        G  19  24.200 -14.044   7.369
  197    H4*    G  19           H4*        G  19  22.505 -14.996   5.583
  198    H3*    G  19           H3*        G  19  25.248 -13.841   4.863
  199   1H2*    G  19          1H2*        G  19  24.858 -14.630   2.664
  200   2HO*    G  19          2HO*        G  19  22.510 -15.969   3.581
  201    H1*    G  19           H1*        G  19  22.184 -13.880   2.580
  202    H8     G  19           H8         G  19  24.402 -11.191   4.116
  203    H1     G  19           H1         G  19  24.548 -11.172  -2.261
  204   1H2     G  19          1H2         G  19  22.768 -14.159  -2.015
  205   2H2     G  19          2H2         G  19  23.498 -12.959  -3.059
  206   1H5*    C  20          1H5*        C  20  25.440 -18.116   3.298
  207   2H5*    C  20          2H5*        C  20  27.104 -18.628   3.647
  208    H4*    C  20           H4*        C  20  26.417 -18.926   1.233
  209    H3*    C  20           H3*        C  20  28.705 -16.997   1.880
  210   1H2*    C  20          1H2*        C  20  29.080 -16.877  -0.459
  211   2HO*    C  20          2HO*        C  20  28.081 -18.313  -1.915
  212    H1*    C  20           H1*        C  20  26.390 -16.801  -1.167
  213   1H4     C  20          1H4         C  20  28.324 -10.610   0.280
  214   2H4     C  20          2H4         C  20  28.540 -10.788  -1.445
  215    H5     C  20           H5         C  20  27.657 -12.429   1.722
  216    H6     C  20           H6         C  20  27.059 -14.802   1.813
  217   1H5*    C  21          1H5*        C  21  30.349 -20.208  -0.753
  218   2H5*    C  21          2H5*        C  21  32.072 -20.435  -0.394
  219    H4*    C  21           H4*        C  21  31.349 -19.772  -2.832
  220    H3*    C  21           H3*        C  21  33.572 -18.410  -1.234
  221   1H2*    C  21          1H2*        C  21  34.078 -17.135  -3.156
  222   2HO*    C  21          2HO*        C  21  34.022 -18.726  -4.738
  223    H1*    C  21           H1*        C  21  31.441 -16.702  -3.943
  224   1H4     C  21          1H4         C  21  32.966 -12.050   0.549
  225   2H4     C  21          2H4         C  21  33.336 -11.348  -1.009
  226    H5     C  21           H5         C  21  32.277 -14.350   0.830
  227    H6     C  21           H6         C  21  31.798 -16.457  -0.321
  228    H3T    C  21           H3T        C  21  33.525 -20.296  -3.397
   
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1  37.700  -9.275  -9.922
    2   2H5*    G   1          2H5*        G   1  38.669  -9.286 -11.417
    3    H4*    G   1           H4*        G   1  36.680  -9.758 -12.719
    4    H3*    G   1           H3*        G   1  35.195  -9.007 -10.165
    5   1H2*    G   1          1H2*        G   1  33.480 -10.512 -10.732
    6   2HO*    G   1          2HO*        G   1  34.649 -10.755 -13.330
    7    H1*    G   1           H1*        G   1  35.094 -12.527 -11.745
    8    H8     G   1           H8         G   1  36.493 -11.112  -8.505
    9    H1     G   1           H1         G   1  31.863 -15.394  -7.530
   10   1H2     G   1          1H2         G   1  31.328 -15.149 -10.971
   11   2H2     G   1          2H2         G   1  30.852 -15.878  -9.453
   12    H5T    G   1           H5T        G   1  38.306  -7.173 -10.749
   13   1H5*    G   2          1H5*        G   2  32.161  -8.422 -13.603
   14   2H5*    G   2          2H5*        G   2  31.229  -6.980 -13.117
   15    H4*    G   2           H4*        G   2  29.922  -9.129 -13.707
   16    H3*    G   2           H3*        G   2  29.630  -7.738 -11.006
   17   1H2*    G   2          1H2*        G   2  27.943  -9.280 -10.437
   18   2HO*    G   2          2HO*        G   2  27.940 -10.183 -13.151
   19    H1*    G   2           H1*        G   2  29.144 -11.521 -11.561
   20    H8     G   2           H8         G   2  31.682  -9.471  -9.634
   21    H1     G   2           H1         G   2  28.104 -13.123  -5.813
   22   1H2     G   2          1H2         G   2  26.170 -13.677  -8.668
   23   2H2     G   2          2H2         G   2  26.412 -13.998  -6.965
   24   1H5*    C   3          1H5*        C   3  25.443  -7.181 -13.002
   25   2H5*    C   3          2H5*        C   3  24.724  -5.756 -12.223
   26    H4*    C   3           H4*        C   3  23.521  -8.084 -12.002
   27    H3*    C   3           H3*        C   3  24.090  -6.173  -9.688
   28   1H2*    C   3          1H2*        C   3  22.949  -7.657  -8.250
   29   2HO*    C   3          2HO*        C   3  21.605  -9.296  -9.008
   30    H1*    C   3           H1*        C   3  23.903 -10.018  -9.368
   31   1H4     C   3          1H4         C   3  28.357  -7.858  -4.922
   32   2H4     C   3          2H4         C   3  27.398  -9.071  -4.104
   33    H5     C   3           H5         C   3  27.890  -7.097  -7.163
   34    H6     C   3           H6         C   3  26.408  -7.331  -9.097
   35   1H5*    G   4          1H5*        G   4  19.635  -7.024 -10.218
   36   2H5*    G   4          2H5*        G   4  18.620  -5.733  -9.523
   37    H4*    G   4           H4*        G   4  18.320  -8.247  -8.770
   38    H3*    G   4           H3*        G   4  18.560  -5.863  -6.878
   39   1H2*    G   4          1H2*        G   4  18.255  -7.326  -5.052
   40   2HO*    G   4          2HO*        G   4  16.510  -8.526  -5.841
   41    H1*    G   4           H1*        G   4  19.759  -9.434  -6.034
   42    H8     G   4           H8         G   4  21.564  -6.134  -6.545
   43    H1     G   4           H1         G   4  22.180  -8.390  -0.604
   44   1H2     G   4          1H2         G   4  20.793 -10.097  -0.292
   45   2H2     G   4          2H2         G   4  19.719 -10.676  -1.547
   46   1H5*    U   5          1H5*        U   5  14.157  -7.313  -4.946
   47   2H5*    U   5          2H5*        U   5  13.701  -5.598  -4.976
   48    H4*    U   5           H4*        U   5  13.761  -6.867  -2.669
   49    H3*    U   5           H3*        U   5  14.998  -4.138  -3.245
   50   1H2*    U   5          1H2*        U   5  15.684  -3.981  -1.001
   51   2HO*    U   5          2HO*        U   5  14.841  -5.258   0.632
   52    H1*    U   5           H1*        U   5  16.426  -6.633  -0.656
   53    H3     U   5           H3         U   5  20.180  -3.987  -0.308
   54    H5     U   5           H5         U   5  19.621  -4.614  -4.441
   55    H6     U   5           H6         U   5  17.461  -5.578  -3.936
   56   1H5*    A   6          1H5*        A   6  12.300  -3.828   0.555
   57   2H5*    A   6          2H5*        A   6  11.576  -2.211   0.426
   58    H4*    A   6           H4*        A   6  12.768  -2.754   2.640
   59    H3*    A   6           H3*        A   6  13.245  -0.340   0.909
   60   1H2*    A   6          1H2*        A   6  15.201   0.251   1.891
   61   2HO*    A   6          2HO*        A   6  14.098  -0.742   4.329
   62    H1*    A   6           H1*        A   6  15.723  -2.176   3.408
   63    H8     A   6           H8         A   6  16.135  -1.598  -0.390
   64   1H6     A   6          1H6         A   6  22.147  -0.899   0.759
   65   2H6     A   6          2H6         A   6  20.930  -1.009  -0.492
   66    H2     A   6           H2         A   6  20.018  -1.322   4.695
   67   1H5*    A   7          1H5*        A   7  12.950   3.894   3.781
   68   2H5*    A   7          2H5*        A   7  14.003   3.040   2.633
   69    H4*    A   7           H4*        A   7  14.443   3.135   5.658
   70    H3*    A   7           H3*        A   7  15.616   4.754   3.355
   71   1H2*    A   7          1H2*        A   7  17.705   4.762   4.431
   72   2HO*    A   7          2HO*        A   7  16.408   3.744   6.766
   73    H1*    A   7           H1*        A   7  17.639   2.153   5.365
   74    H8     A   7           H8         A   7  16.410   2.543   1.765
   75   1H6     A   7          1H6         A   7  22.275   2.005  -0.023
   76   2H6     A   7          2H6         A   7  20.612   2.101  -0.559
   77    H2     A   7           H2         A   7  22.222   2.264   4.463
   78   1H5*    G   8          1H5*        G   8  16.370   7.900   6.919
   79   2H5*    G   8          2H5*        G   8  16.515   9.380   5.933
   80    H4*    G   8           H4*        G   8  18.528   8.535   7.426
   81    H3*    G   8           H3*        G   8  18.803   9.287   4.470
   82   1H2*    G   8          1H2*        G   8  21.141   9.046   4.752
   83   2HO*    G   8          2HO*        G   8  22.119   8.924   6.763
   84    H1*    G   8           H1*        G   8  20.996   6.758   6.320
   85    H8     G   8           H8         G   8  18.602   6.672   3.351
   86    H1     G   8           H1         G   8  24.568   5.048   1.769
   87   1H2     G   8          1H2         G   8  25.381   6.096   4.999
   88   2H2     G   8          2H2         G   8  25.940   5.436   3.479
   89   1H5*    G   9          1H5*        G   9  21.694  12.293   6.188
   90   2H5*    G   9          2H5*        G   9  21.659  13.639   5.019
   91    H4*    G   9           H4*        G   9  23.874  12.258   5.428
   92    H3*    G   9           H3*        G   9  22.726  12.828   2.654
   93   1H2*    G   9          1H2*        G   9  24.732  11.897   1.782
   94   2HO*    G   9          2HO*        G   9  25.789  11.716   4.421
   95    H1*    G   9           H1*        G   9  24.840   9.771   3.558
   96    H8     G   9           H8         G   9  21.262  10.017   2.518
   97    H1     G   9           H1         G   9  24.858   7.664  -2.202
   98   1H2     G   9          1H2         G   9  27.558   8.727  -0.256
   99   2H2     G   9          2H2         G   9  27.016   7.957  -1.730
  100   1H5*    A  10          1H5*        A  10  26.158  15.628   1.969
  101   2H5*    A  10          2H5*        A  10  25.588  16.713   0.688
  102    H4*    A  10           H4*        A  10  27.342  14.836   0.111
  103    H3*    A  10           H3*        A  10  24.807  15.456  -1.477
  104   1H2*    A  10          1H2*        A  10  25.381  13.768  -2.993
  105   2HO*    A  10          2HO*        A  10  27.598  14.349  -3.227
  106    H1*    A  10           H1*        A  10  26.364  11.926  -1.190
  107    H8     A  10           H8         A  10  23.253  12.795   0.436
  108   1H6     A  10          1H6         A  10  20.027  10.156  -4.108
  109   2H6     A  10          2H6         A  10  19.952  10.769  -2.470
  110    H2     A  10           H2         A  10  24.262  10.741  -5.517
  111   1H5*    U  11          1H5*        U  11  26.352  14.303  -4.980
  112   2H5*    U  11          2H5*        U  11  27.078  15.821  -5.525
  113    H4*    U  11           H4*        U  11  25.980  14.835  -7.447
  114    H3*    U  11           H3*        U  11  25.324  17.392  -6.686
  115   1H2*    U  11          1H2*        U  11  23.396  16.868  -5.417
  116   2HO*    U  11          2HO*        U  11  21.593  17.380  -6.774
  117    H1*    U  11           H1*        U  11  22.467  14.946  -7.554
  118    H3     U  11           H3         U  11  18.997  13.500  -5.113
  119    H5     U  11           H5         U  11  21.730  14.717  -2.142
  120    H6     U  11           H6         U  11  23.295  15.288  -3.902
  121   1H5*    U  12          1H5*        U  12  27.349  15.520  -9.636
  122   2H5*    U  12          2H5*        U  12  27.529  15.610 -11.395
  123    H4*    U  12           H4*        U  12  26.409  13.498  -9.810
  124    H3*    U  12           H3*        U  12  27.652  13.787 -12.203
  125   1H2*    U  12          1H2*        U  12  25.920  14.597 -13.476
  126   2HO*    U  12          2HO*        U  12  25.030  12.919 -14.682
  127    H1*    U  12           H1*        U  12  23.837  12.846 -12.228
  128    H3     U  12           H3         U  12  21.182  15.208 -15.085
  129    H5     U  12           H5         U  12  22.816  18.132 -12.524
  130    H6     U  12           H6         U  12  24.246  16.413 -11.580
  131   1H5*    A  13          1H5*        A  13  29.332   8.610 -12.655
  132   2H5*    A  13          2H5*        A  13  27.834   7.713 -12.959
  133    H4*    A  13           H4*        A  13  29.054   8.353 -10.429
  134    H3*    A  13           H3*        A  13  27.470   6.346 -11.403
  135   1H2*    A  13          1H2*        A  13  25.453   7.565 -11.514
  136   2HO*    A  13          2HO*        A  13  24.200   6.929  -9.739
  137    H1*    A  13           H1*        A  13  26.033   8.848  -8.839
  138    H8     A  13           H8         A  13  24.748   9.590 -12.447
  139   1H6     A  13          1H6         A  13  20.987  13.569  -9.624
  140   2H6     A  13          2H6         A  13  21.340  12.776 -11.143
  141    H2     A  13           H2         A  13  23.961  11.987  -6.637
  142   1H5*    C  14          1H5*        C  14  30.479   5.753  -8.740
  143   2H5*    C  14          2H5*        C  14  30.865   4.610  -7.446
  144    H4*    C  14           H4*        C  14  31.358   7.032  -6.886
  145    H3*    C  14           H3*        C  14  29.415   5.367  -5.230
  146   1H2*    C  14          1H2*        C  14  29.118   7.184  -3.767
  147   2HO*    C  14          2HO*        C  14  31.269   7.798  -3.488
  148    H1*    C  14           H1*        C  14  29.088   9.197  -5.679
  149   1H4     C  14          1H4         C  14  22.924   6.822  -5.649
  150   2H4     C  14          2H4         C  14  23.020   7.736  -4.160
  151    H5     C  14           H5         C  14  24.835   6.472  -7.120
  152    H6     C  14           H6         C  14  27.269   6.737  -7.322
  153   1H5*    C  15          1H5*        C  15  32.942   5.732  -2.176
  154   2H5*    C  15          2H5*        C  15  33.100   4.093  -1.508
  155    H4*    C  15           H4*        C  15  32.678   5.938   0.211
  156    H3*    C  15           H3*        C  15  30.803   3.553  -0.099
  157   1H2*    C  15          1H2*        C  15  29.515   4.338   1.698
  158   2HO*    C  15          2HO*        C  15  31.044   4.865   3.206
  159    H1*    C  15           H1*        C  15  29.628   7.045   1.076
  160   1H4     C  15          1H4         C  15  24.766   4.422  -2.607
  161   2H4     C  15          2H4         C  15  24.066   4.520  -1.008
  162    H5     C  15           H5         C  15  27.082   4.909  -3.068
  163    H6     C  15           H6         C  15  29.221   5.601  -2.099
  164   1H5*    U  16          1H5*        U  16  31.255   2.785   4.190
  165   2H5*    U  16          2H5*        U  16  31.270   1.010   4.233
  166    H4*    U  16           H4*        U  16  29.242   2.301   5.301
  167    H3*    U  16           H3*        U  16  29.006  -0.060   3.378
  168   1H2*    U  16          1H2*        U  16  26.662   0.006   3.661
  169   2HO*    U  16          2HO*        U  16  27.041   1.860   5.803
  170    H1*    U  16           H1*        U  16  26.408   2.771   3.675
  171    H3     U  16           H3         U  16  24.259   1.192  -0.062
  172    H5     U  16           H5         U  16  28.346   1.213  -1.099
  173    H6     U  16           H6         U  16  28.867   1.731   1.208
  174   1H5*    A  17          1H5*        A  17  27.112  -1.228   7.606
  175   2H5*    A  17          2H5*        A  17  27.634  -2.915   7.804
  176    H4*    A  17           H4*        A  17  25.188  -2.491   8.332
  177    H3*    A  17           H3*        A  17  25.994  -4.449   6.158
  178   1H2*    A  17          1H2*        A  17  23.707  -5.006   5.906
  179   2HO*    A  17          2HO*        A  17  22.138  -4.413   7.416
  180    H1*    A  17           H1*        A  17  22.699  -2.444   6.121
  181    H8     A  17           H8         A  17  25.744  -2.205   3.955
  182   1H6     A  17          1H6         A  17  22.421  -4.331  -0.770
  183   2H6     A  17          2H6         A  17  23.939  -3.605  -0.292
  184    H2     A  17           H2         A  17  19.983  -4.845   2.975
  185   1H5*    U  18          1H5*        U  18  23.691  -6.995   8.245
  186   2H5*    U  18          2H5*        U  18  24.371  -8.635   8.268
  187    H4*    U  18           H4*        U  18  22.234  -8.429   6.936
  188    H3*    U  18           H3*        U  18  24.828  -9.251   5.549
  189   1H2*    U  18          1H2*        U  18  23.605  -9.605   3.570
  190   2HO*    U  18          2HO*        U  18  21.378  -9.799   3.523
  191    H1*    U  18           H1*        U  18  21.926  -7.403   3.819
  192    H3     U  18           H3         U  18  24.639  -6.913   0.112
  193    H5     U  18           H5         U  18  26.905  -5.480   3.370
  194    H6     U  18           H6         U  18  25.197  -6.333   4.863
  195   1H5*    G  19          1H5*        G  19  21.959 -13.139   5.144
  196   2H5*    G  19          2H5*        G  19  23.187 -14.410   4.903
  197    H4*    G  19           H4*        G  19  21.259 -14.043   3.138
  198    H3*    G  19           H3*        G  19  24.226 -14.228   2.416
  199   1H2*    G  19          1H2*        G  19  23.568 -14.211   0.144
  200   2HO*    G  19          2HO*        G  19  21.828 -15.319  -0.309
  201    H1*    G  19           H1*        G  19  21.592 -12.284   0.426
  202    H8     G  19           H8         G  19  24.719 -11.308   2.338
  203    H1     G  19           H1         G  19  25.211 -10.115  -3.911
  204   1H2     G  19          1H2         G  19  22.261 -11.958  -4.185
  205   2H2     G  19          2H2         G  19  23.510 -11.047  -5.000
  206   1H5*    C  20          1H5*        C  20  22.068 -17.597   0.134
  207   2H5*    C  20          2H5*        C  20  23.297 -18.838  -0.181
  208    H4*    C  20           H4*        C  20  22.053 -17.755  -2.215
  209    H3*    C  20           H3*        C  20  25.099 -17.990  -2.021
  210   1H2*    C  20          1H2*        C  20  25.185 -17.206  -4.254
  211   2HO*    C  20          2HO*        C  20  22.343 -17.418  -4.420
  212    H1*    C  20           H1*        C  20  23.182 -15.292  -3.968
  213   1H4     C  20          1H4         C  20  28.897 -12.587  -1.917
  214   2H4     C  20          2H4         C  20  28.785 -12.212  -3.620
  215    H5     C  20           H5         C  20  27.320 -14.011  -0.772
  216    H6     C  20           H6         C  20  25.300 -15.373  -1.015
  217   1H5*    C  21          1H5*        C  21  23.739 -20.153  -5.661
  218   2H5*    C  21          2H5*        C  21  24.805 -21.533  -5.989
  219    H4*    C  21           H4*        C  21  24.489 -19.693  -7.838
  220    H3*    C  21           H3*        C  21  27.179 -20.805  -6.910
  221   1H2*    C  21          1H2*        C  21  28.224 -19.513  -8.586
  222   2HO*    C  21          2HO*        C  21  26.858 -19.941 -10.323
  223    H1*    C  21           H1*        C  21  26.625 -17.252  -8.292
  224   1H4     C  21          1H4         C  21  31.525 -16.860  -3.816
  225   2H4     C  21          2H4         C  21  32.088 -15.984  -5.222
  226    H5     C  21           H5         C  21  29.448 -18.097  -3.774
  227    H6     C  21           H6         C  21  27.475 -18.754  -5.068
  228    H3T    C  21           H3T        C  21  25.769 -22.243  -7.988
   
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1  35.862 -18.308  -6.169
    2   2H5*    G   1          2H5*        G   1  34.979 -16.885  -6.781
    3    H4*    G   1           H4*        G   1  33.834 -19.115  -7.167
    4    H3*    G   1           H3*        G   1  32.527 -17.018  -5.381
    5   1H2*    G   1          1H2*        G   1  30.655 -18.417  -5.123
    6   2HO*    G   1          2HO*        G   1  30.262 -20.192  -6.465
    7    H1*    G   1           H1*        G   1  32.029 -20.819  -4.929
    8    H8     G   1           H8         G   1  33.806 -18.273  -2.804
    9    H1     G   1           H1         G   1  28.504 -20.442   0.016
   10   1H2     G   1          1H2         G   1  27.791 -21.843  -3.102
   11   2H2     G   1          2H2         G   1  27.291 -21.606  -1.443
   12    H5T    G   1           H5T        G   1  34.609 -16.231  -4.787
   13   1H5*    G   2          1H5*        G   2  29.470 -17.957  -8.654
   14   2H5*    G   2          2H5*        G   2  28.570 -16.442  -8.930
   15    H4*    G   2           H4*        G   2  27.256 -18.599  -8.291
   16    H3*    G   2           H3*        G   2  27.000 -15.972  -6.757
   17   1H2*    G   2          1H2*        G   2  25.312 -16.954  -5.439
   18   2HO*    G   2          2HO*        G   2  24.097 -17.964  -7.046
   19    H1*    G   2           H1*        G   2  26.503 -19.453  -5.188
   20    H8     G   2           H8         G   2  29.084 -16.734  -4.686
   21    H1     G   2           H1         G   2  25.486 -17.628   0.510
   22   1H2     G   2          1H2         G   2  23.508 -19.608  -1.580
   23   2H2     G   2          2H2         G   2  23.764 -18.954   0.022
   24   1H5*    C   3          1H5*        C   3  22.739 -15.824  -9.009
   25   2H5*    C   3          2H5*        C   3  22.481 -14.067  -9.037
   26    H4*    C   3           H4*        C   3  20.786 -15.592  -7.728
   27    H3*    C   3           H3*        C   3  22.066 -13.047  -6.625
   28   1H2*    C   3          1H2*        C   3  20.767 -13.307  -4.673
   29   2HO*    C   3          2HO*        C   3  19.288 -15.362  -5.999
   30    H1*    C   3           H1*        C   3  20.985 -16.073  -4.483
   31   1H4     C   3          1H4         C   3  26.303 -13.348  -1.558
   32   2H4     C   3          2H4         C   3  25.166 -13.697  -0.277
   33    H5     C   3           H5         C   3  25.795 -13.672  -3.898
   34    H6     C   3           H6         C   3  24.093 -14.391  -5.501
   35   1H5*    G   4          1H5*        G   4  17.578 -12.814  -6.646
   36   2H5*    G   4          2H5*        G   4  16.973 -11.139  -6.721
   37    H4*    G   4           H4*        G   4  16.255 -12.756  -4.757
   38    H3*    G   4           H3*        G   4  17.277  -9.900  -4.390
   39   1H2*    G   4          1H2*        G   4  16.891 -10.111  -2.072
   40   2HO*    G   4          2HO*        G   4  14.847 -11.051  -2.097
   41    H1*    G   4           H1*        G   4  17.762 -12.728  -1.820
   42    H8     G   4           H8         G   4  20.168 -10.738  -3.967
   43    H1     G   4           H1         G   4  21.010  -9.700   2.275
   44   1H2     G   4          1H2         G   4  19.332 -10.589   3.427
   45   2H2     G   4          2H2         G   4  18.008 -11.434   2.656
   46   1H5*    U   5          1H5*        U   5  13.063  -9.215  -2.080
   47   2H5*    U   5          2H5*        U   5  12.787  -7.660  -2.891
   48    H4*    U   5           H4*        U   5  12.852  -7.637  -0.305
   49    H3*    U   5           H3*        U   5  14.590  -5.844  -2.055
   50   1H2*    U   5          1H2*        U   5  15.466  -4.819  -0.127
   51   2HO*    U   5          2HO*        U   5  13.428  -6.129   1.391
   52    H1*    U   5           H1*        U   5  15.648  -7.097   1.447
   53    H3     U   5           H3         U   5  19.914  -5.577   0.681
   54    H5     U   5           H5         U   5  18.910  -7.854  -2.722
   55    H6     U   5           H6         U   5  16.631  -7.927  -1.919
   56   1H5*    A   6          1H5*        A   6  11.874  -3.735   0.918
   57   2H5*    A   6          2H5*        A   6  11.498  -2.060   0.466
   58    H4*    A   6           H4*        A   6  12.564  -2.600   2.834
   59    H3*    A   6           H3*        A   6  12.935  -0.330   0.961
   60   1H2*    A   6          1H2*        A   6  15.102   0.091   1.427
   61   2HO*    A   6          2HO*        A   6  15.663   0.306   3.758
   62    H1*    A   6           H1*        A   6  15.500  -1.958   3.530
   63    H8     A   6           H8         A   6  16.101  -2.331  -0.239
   64   1H6     A   6          1H6         A   6  22.053  -1.220   0.904
   65   2H6     A   6          2H6         A   6  20.889  -1.676  -0.320
   66    H2     A   6           H2         A   6  19.767  -0.641   4.731
   67   1H5*    A   7          1H5*        A   7  12.939   4.042   4.069
   68   2H5*    A   7          2H5*        A   7  13.824   3.355   2.688
   69    H4*    A   7           H4*        A   7  14.733   3.325   5.610
   70    H3*    A   7           H3*        A   7  15.579   4.907   3.143
   71   1H2*    A   7          1H2*        A   7  17.812   4.849   3.880
   72   2HO*    A   7          2HO*        A   7  16.854   3.896   6.399
   73    H1*    A   7           H1*        A   7  17.813   2.246   4.850
   74    H8     A   7           H8         A   7  16.081   2.596   1.466
   75   1H6     A   7          1H6         A   7  21.617   1.887  -1.144
   76   2H6     A   7          2H6         A   7  19.896   1.996  -1.435
   77    H2     A   7           H2         A   7  22.224   2.295   3.291
   78   1H5*    G   8          1H5*        G   8  16.582   7.240   7.231
   79   2H5*    G   8          2H5*        G   8  16.953   8.926   6.783
   80    H4*    G   8           H4*        G   8  18.680   7.480   8.165
   81    H3*    G   8           H3*        G   8  19.337   9.137   5.692
   82   1H2*    G   8          1H2*        G   8  21.599   8.531   5.897
   83   2HO*    G   8          2HO*        G   8  21.006   7.453   8.476
   84    H1*    G   8           H1*        G   8  21.202   5.888   6.634
   85    H8     G   8           H8         G   8  18.923   7.027   3.788
   86    H1     G   8           H1         G   8  24.714   5.261   1.775
   87   1H2     G   8          1H2         G   8  25.527   5.182   5.173
   88   2H2     G   8          2H2         G   8  26.063   4.955   3.524
   89   1H5*    G   9          1H5*        G   9  22.283  10.773   8.497
   90   2H5*    G   9          2H5*        G   9  22.590  12.469   8.036
   91    H4*    G   9           H4*        G   9  24.499  10.653   7.862
   92    H3*    G   9           H3*        G   9  23.761  12.606   5.641
   93   1H2*    G   9          1H2*        G   9  25.564  11.744   4.380
   94   2HO*    G   9          2HO*        G   9  27.191  10.485   5.283
   95    H1*    G   9           H1*        G   9  25.207   9.076   5.058
   96    H8     G   9           H8         G   9  21.782  10.268   4.275
   97    H1     G   9           H1         G   9  25.275   9.756  -1.038
   98   1H2     G   9          1H2         G   9  27.996   9.571   1.139
   99   2H2     G   9          2H2         G   9  27.431   9.583  -0.517
  100   1H5*    A  10          1H5*        A  10  27.785  14.207   6.148
  101   2H5*    A  10          2H5*        A  10  27.757  15.883   5.569
  102    H4*    A  10           H4*        A  10  28.877  14.015   4.083
  103    H3*    A  10           H3*        A  10  26.901  16.135   3.125
  104   1H2*    A  10          1H2*        A  10  27.050  15.273   0.960
  105   2HO*    A  10          2HO*        A  10  28.715  13.932   0.269
  106    H1*    A  10           H1*        A  10  27.160  12.591   1.584
  107    H8     A  10           H8         A  10  24.337  13.431   3.599
  108   1H6     A  10          1H6         A  10  20.960  14.853  -1.361
  109   2H6     A  10          2H6         A  10  20.904  14.474   0.346
  110    H2     A  10           H2         A  10  25.295  14.710  -2.580
  111   1H5*    U  11          1H5*        U  11  28.698  16.266  -0.564
  112   2H5*    U  11          2H5*        U  11  29.990  17.411  -0.165
  113    H4*    U  11           H4*        U  11  29.147  17.921  -2.416
  114    H3*    U  11           H3*        U  11  29.355  19.832  -0.447
  115   1H2*    U  11          1H2*        U  11  27.139  19.828   0.271
  116   2HO*    U  11          2HO*        U  11  26.164  21.676  -0.599
  117    H1*    U  11           H1*        U  11  26.108  19.699  -2.567
  118    H3     U  11           H3         U  11  21.886  19.417  -1.046
  119    H5     U  11           H5         U  11  24.016  17.089   1.751
  120    H6     U  11           H6         U  11  26.058  17.643   0.564
  121   1H5*    U  12          1H5*        U  12  30.150  20.049  -6.087
  122   2H5*    U  12          2H5*        U  12  28.878  20.384  -4.900
  123    H4*    U  12           H4*        U  12  29.156  17.513  -5.192
  124    H3*    U  12           H3*        U  12  29.869  18.669  -7.543
  125   1H2*    U  12          1H2*        U  12  28.051  20.057  -7.880
  126   2HO*    U  12          2HO*        U  12  26.680  19.110  -9.385
  127    H1*    U  12           H1*        U  12  25.995  18.097  -6.960
  128    H3     U  12           H3         U  12  23.351  21.737  -7.794
  129    H5     U  12           H5         U  12  25.929  22.985  -4.697
  130    H6     U  12           H6         U  12  27.166  20.915  -4.976
  131   1H5*    A  13          1H5*        A  13  30.312  14.060 -10.597
  132   2H5*    A  13          2H5*        A  13  28.596  13.731 -10.853
  133    H4*    A  13           H4*        A  13  30.362  12.702  -8.840
  134    H3*    A  13           H3*        A  13  28.143  11.783 -10.126
  135   1H2*    A  13          1H2*        A  13  26.552  13.222  -9.054
  136   2HO*    A  13          2HO*        A  13  25.493  11.947  -7.481
  137    H1*    A  13           H1*        A  13  27.923  12.723  -6.405
  138    H8     A  13           H8         A  13  26.039  15.352  -8.559
  139   1H6     A  13          1H6         A  13  24.778  17.992  -3.153
  140   2H6     A  13          2H6         A  13  24.378  17.954  -4.854
  141    H2     A  13           H2         A  13  27.854  14.764  -2.480
  142   1H5*    C  14          1H5*        C  14  31.162   9.602  -7.707
  143   2H5*    C  14          2H5*        C  14  31.200   8.091  -6.787
  144    H4*    C  14           H4*        C  14  31.872  10.265  -5.544
  145    H3*    C  14           H3*        C  14  29.795   8.276  -4.541
  146   1H2*    C  14          1H2*        C  14  29.543   9.553  -2.576
  147   2HO*    C  14          2HO*        C  14  31.691   9.976  -2.080
  148    H1*    C  14           H1*        C  14  29.597  12.054  -3.759
  149   1H4     C  14          1H4         C  14  23.434   9.801  -4.630
  150   2H4     C  14          2H4         C  14  23.500  10.191  -2.925
  151    H5     C  14           H5         C  14  25.384   9.889  -6.086
  152    H6     C  14           H6         C  14  27.805  10.343  -6.187
  153   1H5*    C  15          1H5*        C  15  33.007   7.542  -1.387
  154   2H5*    C  15          2H5*        C  15  33.183   5.775  -1.313
  155    H4*    C  15           H4*        C  15  32.580   6.899   0.897
  156    H3*    C  15           H3*        C  15  30.802   4.763  -0.359
  157   1H2*    C  15          1H2*        C  15  29.381   4.871   1.503
  158   2HO*    C  15          2HO*        C  15  29.980   5.821   3.452
  159    H1*    C  15           H1*        C  15  29.476   7.625   1.882
  160   1H4     C  15          1H4         C  15  24.827   6.502  -2.713
  161   2H4     C  15          2H4         C  15  24.066   5.990  -1.223
  162    H5     C  15           H5         C  15  27.149   7.141  -2.858
  163    H6     C  15           H6         C  15  29.235   7.440  -1.607
  164   1H5*    U  16          1H5*        U  16  31.157   3.209   3.555
  165   2H5*    U  16          2H5*        U  16  31.304   1.442   3.494
  166    H4*    U  16           H4*        U  16  29.214   2.516   4.680
  167    H3*    U  16           H3*        U  16  29.113   0.248   2.639
  168   1H2*    U  16          1H2*        U  16  26.773   0.119   2.959
  169   2HO*    U  16          2HO*        U  16  25.732   1.099   4.707
  170    H1*    U  16           H1*        U  16  26.309   2.848   3.141
  171    H3     U  16           H3         U  16  24.180   1.401  -0.643
  172    H5     U  16           H5         U  16  28.243   1.624  -1.740
  173    H6     U  16           H6         U  16  28.785   2.072   0.577
  174   1H5*    A  17          1H5*        A  17  27.609  -0.497   6.923
  175   2H5*    A  17          2H5*        A  17  27.918  -2.167   7.440
  176    H4*    A  17           H4*        A  17  25.604  -1.190   8.013
  177    H3*    A  17           H3*        A  17  25.994  -3.793   6.509
  178   1H2*    A  17          1H2*        A  17  23.654  -4.087   6.472
  179   2HO*    A  17          2HO*        A  17  22.378  -3.341   8.000
  180    H1*    A  17           H1*        A  17  22.946  -1.458   5.992
  181    H8     A  17           H8         A  17  25.785  -2.115   3.680
  182   1H6     A  17          1H6         A  17  21.982  -5.233  -0.022
  183   2H6     A  17          2H6         A  17  23.569  -4.513   0.133
  184    H2     A  17           H2         A  17  19.834  -4.499   3.862
  185   1H5*    U  18          1H5*        U  18  23.634  -5.045   9.599
  186   2H5*    U  18          2H5*        U  18  24.057  -6.657  10.211
  187    H4*    U  18           H4*        U  18  21.790  -6.530   9.081
  188    H3*    U  18           H3*        U  18  23.990  -8.344   7.998
  189   1H2*    U  18          1H2*        U  18  22.506  -9.155   6.367
  190   2HO*    U  18          2HO*        U  18  20.691  -9.515   7.657
  191    H1*    U  18           H1*        U  18  21.245  -6.744   5.798
  192    H3     U  18           H3         U  18  23.600  -8.312   2.122
  193    H5     U  18           H5         U  18  26.353  -6.056   4.387
  194    H6     U  18           H6         U  18  24.709  -5.934   6.164
  195   1H5*    G  19          1H5*        G  19  20.383 -11.123   9.585
  196   2H5*    G  19          2H5*        G  19  21.216 -12.617  10.090
  197    H4*    G  19           H4*        G  19  19.161 -12.816   8.519
  198    H3*    G  19           H3*        G  19  21.890 -13.991   7.830
  199   1H2*    G  19          1H2*        G  19  20.965 -14.929   5.882
  200   2HO*    G  19          2HO*        G  19  18.373 -14.242   6.871
  201    H1*    G  19           H1*        G  19  19.348 -12.781   5.200
  202    H8     G  19           H8         G  19  22.749 -11.523   6.248
  203    H1     G  19           H1         G  19  22.794 -13.878   0.321
  204   1H2     G  19          1H2         G  19  19.605 -15.068   1.093
  205   2H2     G  19          2H2         G  19  20.883 -14.941  -0.095
  206   1H5*    C  20          1H5*        C  20  19.088 -17.543   7.571
  207   2H5*    C  20          2H5*        C  20  20.051 -18.945   8.080
  208    H4*    C  20           H4*        C  20  19.004 -19.045   5.724
  209    H3*    C  20           H3*        C  20  22.010 -19.398   6.173
  210   1H2*    C  20          1H2*        C  20  22.178 -19.962   3.880
  211   2HO*    C  20          2HO*        C  20  19.326 -20.014   3.722
  212    H1*    C  20           H1*        C  20  20.378 -18.045   2.968
  213   1H4     C  20          1H4         C  20  26.332 -15.148   3.549
  214   2H4     C  20          2H4         C  20  26.253 -15.738   1.905
  215    H5     C  20           H5         C  20  24.626 -15.596   5.196
  216    H6     C  20           H6         C  20  22.481 -16.698   5.617
  217   1H5*    C  21          1H5*        C  21  20.318 -23.115   4.274
  218   2H5*    C  21          2H5*        C  21  21.285 -24.528   4.744
  219    H4*    C  21           H4*        C  21  20.995 -23.969   2.193
  220    H3*    C  21           H3*        C  21  23.655 -24.595   3.561
  221   1H2*    C  21          1H2*        C  21  24.696 -24.504   1.445
  222   2HO*    C  21          2HO*        C  21  23.237 -25.701   0.225
  223    H1*    C  21           H1*        C  21  23.250 -22.333   0.470
  224   1H4     C  21          1H4         C  21  28.363 -19.959   3.992
  225   2H4     C  21          2H4         C  21  28.905 -20.005   2.329
  226    H5     C  21           H5         C  21  26.232 -20.833   4.710
  227    H6     C  21           H6         C  21  24.169 -21.937   3.991
  228    H3T    C  21           H3T        C  21  22.155 -26.295   3.461
   
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  36.388  -7.934  -7.117
    2   2H5*    G   1          2H5*        G   1  37.404  -8.001  -8.580
    3    H4*    G   1           H4*        G   1  35.827  -9.464  -9.649
    4    H3*    G   1           H3*        G   1  33.901  -8.512  -7.487
    5   1H2*    G   1          1H2*        G   1  32.782 -10.579  -7.587
    6   2HO*    G   1          2HO*        G   1  33.032 -12.023  -9.294
    7    H1*    G   1           H1*        G   1  35.021 -12.186  -7.887
    8    H8     G   1           H8         G   1  35.451  -9.459  -5.245
    9    H1     G   1           H1         G   1  32.471 -14.648  -3.017
   10   1H2     G   1          1H2         G   1  32.384 -15.655  -6.360
   11   2H2     G   1          2H2         G   1  31.977 -16.021  -4.698
   12    H5T    G   1           H5T        G   1  35.807  -6.796  -9.655
   13   1H5*    G   2          1H5*        G   2  31.452  -9.926 -11.165
   14   2H5*    G   2          2H5*        G   2  29.917  -9.018 -11.126
   15    H4*    G   2           H4*        G   2  29.853 -11.624 -11.176
   16    H3*    G   2           H3*        G   2  28.409  -9.936  -9.085
   17   1H2*    G   2          1H2*        G   2  27.489 -11.896  -8.164
   18   2HO*    G   2          2HO*        G   2  28.433 -13.330 -10.452
   19    H1*    G   2           H1*        G   2  29.746 -13.497  -8.428
   20    H8     G   2           H8         G   2  30.540 -10.005  -7.116
   21    H1     G   2           H1         G   2  28.598 -13.993  -2.526
   22   1H2     G   2          1H2         G   2  27.814 -16.150  -5.159
   23   2H2     G   2          2H2         G   2  27.840 -15.881  -3.431
   24   1H5*    C   3          1H5*        C   3  24.274 -11.177 -11.454
   25   2H5*    C   3          2H5*        C   3  23.451  -9.660 -11.039
   26    H4*    C   3           H4*        C   3  22.434 -11.938 -10.211
   27    H3*    C   3           H3*        C   3  22.883  -9.482  -8.450
   28   1H2*    C   3          1H2*        C   3  21.835 -10.639  -6.680
   29   2HO*    C   3          2HO*        C   3  21.040 -12.652  -8.547
   30    H1*    C   3           H1*        C   3  22.962 -13.127  -7.203
   31   1H4     C   3          1H4         C   3  27.234  -9.626  -3.494
   32   2H4     C   3          2H4         C   3  26.362 -10.663  -2.388
   33    H5     C   3           H5         C   3  26.720  -9.476  -5.849
   34    H6     C   3           H6         C   3  25.264 -10.288  -7.640
   35   1H5*    G   4          1H5*        G   4  18.368 -10.464  -8.523
   36   2H5*    G   4          2H5*        G   4  17.466  -8.971  -8.150
   37    H4*    G   4           H4*        G   4  17.145 -11.148  -6.691
   38    H3*    G   4           H3*        G   4  17.662  -8.355  -5.566
   39   1H2*    G   4          1H2*        G   4  17.417  -9.245  -3.394
   40   2HO*    G   4          2HO*        G   4  16.479 -11.684  -4.547
   41    H1*    G   4           H1*        G   4  18.747 -11.631  -3.861
   42    H8     G   4           H8         G   4  20.660  -8.721  -5.359
   43    H1     G   4           H1         G   4  21.581  -9.299   0.930
   44   1H2     G   4          1H2         G   4  20.143 -10.766   1.776
   45   2H2     G   4          2H2         G   4  18.961 -11.597   0.789
   46   1H5*    U   5          1H5*        U   5  13.348  -8.713  -3.086
   47   2H5*    U   5          2H5*        U   5  13.034  -7.046  -3.612
   48    H4*    U   5           H4*        U   5  13.186  -7.565  -1.038
   49    H3*    U   5           H3*        U   5  14.606  -5.284  -2.480
   50   1H2*    U   5          1H2*        U   5  15.472  -4.539  -0.422
   51   2HO*    U   5          2HO*        U   5  14.653  -5.200   1.561
   52    H1*    U   5           H1*        U   5  16.002  -7.038   0.668
   53    H3     U   5           H3         U   5  19.998  -4.849   0.057
   54    H5     U   5           H5         U   5  19.073  -6.559  -3.686
   55    H6     U   5           H6         U   5  16.875  -7.090  -2.828
   56   1H5*    A   6          1H5*        A   6  12.061  -3.880   1.073
   57   2H5*    A   6          2H5*        A   6  11.476  -2.236   0.751
   58    H4*    A   6           H4*        A   6  12.749  -2.684   2.987
   59    H3*    A   6           H3*        A   6  13.046  -0.410   1.066
   60   1H2*    A   6          1H2*        A   6  15.154   0.148   1.658
   61   2HO*    A   6          2HO*        A   6  14.272  -0.299   4.334
   62    H1*    A   6           H1*        A   6  15.666  -2.034   3.569
   63    H8     A   6           H8         A   6  16.113  -2.066  -0.258
   64   1H6     A   6          1H6         A   6  22.114  -1.125   0.782
   65   2H6     A   6          2H6         A   6  20.904  -1.448  -0.440
   66    H2     A   6           H2         A   6  19.968  -0.911   4.724
   67   1H5*    A   7          1H5*        A   7  12.981   3.998   3.970
   68   2H5*    A   7          2H5*        A   7  13.906   3.189   2.686
   69    H4*    A   7           H4*        A   7  14.695   3.280   5.639
   70    H3*    A   7           H3*        A   7  15.607   4.849   3.190
   71   1H2*    A   7          1H2*        A   7  17.807   4.852   4.023
   72   2HO*    A   7          2HO*        A   7  18.302   4.343   6.167
   73    H1*    A   7           H1*        A   7  17.821   2.262   5.021
   74    H8     A   7           H8         A   7  16.231   2.559   1.559
   75   1H6     A   7          1H6         A   7  21.883   1.901  -0.803
   76   2H6     A   7          2H6         A   7  20.175   1.992  -1.170
   77    H2     A   7           H2         A   7  22.291   2.326   3.651
   78   1H5*    G   8          1H5*        G   8  16.434   7.421   7.121
   79   2H5*    G   8          2H5*        G   8  16.766   9.089   6.583
   80    H4*    G   8           H4*        G   8  18.548   7.741   7.992
   81    H3*    G   8           H3*        G   8  19.131   9.274   5.418
   82   1H2*    G   8          1H2*        G   8  21.405   8.710   5.630
   83   2HO*    G   8          2HO*        G   8  20.852   7.786   8.278
   84    H1*    G   8           H1*        G   8  21.054   6.114   6.534
   85    H8     G   8           H8         G   8  18.758   7.016   3.623
   86    H1     G   8           H1         G   8  24.601   5.271   1.733
   87   1H2     G   8          1H2         G   8  25.395   5.394   5.134
   88   2H2     G   8          2H2         G   8  25.943   5.082   3.503
   89   1H5*    G   9          1H5*        G   9  22.067  10.856   8.292
   90   2H5*    G   9          2H5*        G   9  22.508  12.523   7.838
   91    H4*    G   9           H4*        G   9  24.312  10.587   7.815
   92    H3*    G   9           H3*        G   9  23.852  12.537   5.512
   93   1H2*    G   9          1H2*        G   9  25.741  11.568   4.447
   94   2HO*    G   9          2HO*        G   9  27.154  11.386   6.185
   95    H1*    G   9           H1*        G   9  25.104   8.944   5.039
   96    H8     G   9           H8         G   9  21.844  10.431   4.066
   97    H1     G   9           H1         G   9  25.630   9.800  -1.033
   98   1H2     G   9          1H2         G   9  28.161   9.236   1.308
   99   2H2     G   9          2H2         G   9  27.717   9.370  -0.379
  100   1H5*    A  10          1H5*        A  10  27.836  14.260   6.363
  101   2H5*    A  10          2H5*        A  10  27.764  15.919   5.741
  102    H4*    A  10           H4*        A  10  29.093  14.085   4.395
  103    H3*    A  10           H3*        A  10  27.085  16.064   3.224
  104   1H2*    A  10          1H2*        A  10  27.465  15.160   1.102
  105   2HO*    A  10          2HO*        A  10  29.250  13.888   0.597
  106    H1*    A  10           H1*        A  10  27.671  12.505   1.815
  107    H8     A  10           H8         A  10  24.641  13.323   3.569
  108   1H6     A  10          1H6         A  10  21.640  14.192  -1.745
  109   2H6     A  10          2H6         A  10  21.454  13.931  -0.024
  110    H2     A  10           H2         A  10  26.062  14.213  -2.584
  111   1H5*    U  11          1H5*        U  11  28.872  16.264  -0.343
  112   2H5*    U  11          2H5*        U  11  30.058  17.536  -0.018
  113    H4*    U  11           H4*        U  11  29.133  17.986  -2.211
  114    H3*    U  11           H3*        U  11  29.017  19.930  -0.271
  115   1H2*    U  11          1H2*        U  11  26.816  19.510   0.479
  116   2HO*    U  11          2HO*        U  11  26.438  21.286  -1.737
  117    H1*    U  11           H1*        U  11  25.845  19.233  -2.369
  118    H3     U  11           H3         U  11  21.728  17.982  -1.111
  119    H5     U  11           H5         U  11  24.090  16.634   2.110
  120    H6     U  11           H6         U  11  26.045  17.477   0.951
  121   1H5*    U  12          1H5*        U  12  31.037  19.034  -3.762
  122   2H5*    U  12          2H5*        U  12  31.519  19.872  -5.247
  123    H4*    U  12           H4*        U  12  29.588  17.772  -4.918
  124    H3*    U  12           H3*        U  12  31.244  18.695  -6.864
  125   1H2*    U  12          1H2*        U  12  30.054  20.546  -7.557
  126   2HO*    U  12          2HO*        U  12  30.025  19.501  -9.470
  127    H1*    U  12           H1*        U  12  27.376  19.234  -7.337
  128    H3     U  12           H3         U  12  25.989  23.373  -8.629
  129    H5     U  12           H5         U  12  28.021  24.053  -4.997
  130    H6     U  12           H6         U  12  28.717  21.730  -5.026
  131   1H5*    A  13          1H5*        A  13  32.024  13.692  -9.035
  132   2H5*    A  13          2H5*        A  13  30.503  14.346  -9.668
  133    H4*    A  13           H4*        A  13  31.032  12.820  -7.135
  134    H3*    A  13           H3*        A  13  29.590  12.215  -9.386
  135   1H2*    A  13          1H2*        A  13  27.991  13.967  -9.239
  136   2HO*    A  13          2HO*        A  13  26.760  12.059  -9.228
  137    H1*    A  13           H1*        A  13  27.751  13.480  -6.264
  138    H8     A  13           H8         A  13  27.598  16.081  -9.110
  139   1H6     A  13          1H6         A  13  24.358  19.471  -5.120
  140   2H6     A  13          2H6         A  13  24.836  19.306  -6.795
  141    H2     A  13           H2         A  13  26.188  16.007  -2.912
  142   1H5*    C  14          1H5*        C  14  31.769  10.014  -7.269
  143   2H5*    C  14          2H5*        C  14  31.882   8.344  -6.696
  144    H4*    C  14           H4*        C  14  32.560  10.018  -4.957
  145    H3*    C  14           H3*        C  14  30.137   8.230  -4.494
  146   1H2*    C  14          1H2*        C  14  29.866   9.159  -2.351
  147   2HO*    C  14          2HO*        C  14  32.009   9.081  -1.644
  148    H1*    C  14           H1*        C  14  30.483  11.787  -3.008
  149   1H4     C  14          1H4         C  14  24.098  11.086  -4.557
  150   2H4     C  14          2H4         C  14  24.099  11.232  -2.813
  151    H5     C  14           H5         C  14  26.147  10.994  -5.887
  152    H6     C  14           H6         C  14  28.588  10.748  -5.762
  153   1H5*    C  15          1H5*        C  15  33.170   6.955  -1.470
  154   2H5*    C  15          2H5*        C  15  33.273   5.189  -1.322
  155    H4*    C  15           H4*        C  15  32.810   6.424   0.860
  156    H3*    C  15           H3*        C  15  30.884   4.332  -0.243
  157   1H2*    C  15          1H2*        C  15  29.529   4.587   1.656
  158   2HO*    C  15          2HO*        C  15  30.233   5.501   3.555
  159    H1*    C  15           H1*        C  15  29.767   7.346   1.918
  160   1H4     C  15          1H4         C  15  24.966   6.306  -2.540
  161   2H4     C  15          2H4         C  15  24.205   5.901  -1.017
  162    H5     C  15           H5         C  15  27.317   6.798  -2.750
  163    H6     C  15           H6         C  15  29.438   7.026  -1.550
  164   1H5*    U  16          1H5*        U  16  31.329   2.816   3.715
  165   2H5*    U  16          2H5*        U  16  31.360   1.042   3.642
  166    H4*    U  16           H4*        U  16  29.379   2.238   4.892
  167    H3*    U  16           H3*        U  16  29.086  -0.004   2.845
  168   1H2*    U  16          1H2*        U  16  26.752   0.015   3.197
  169   2HO*    U  16          2HO*        U  16  26.281   0.152   5.270
  170    H1*    U  16           H1*        U  16  26.457   2.767   3.415
  171    H3     U  16           H3         U  16  24.194   1.425  -0.344
  172    H5     U  16           H5         U  16  28.237   1.604  -1.527
  173    H6     U  16           H6         U  16  28.838   1.959   0.793
  174   1H5*    A  17          1H5*        A  17  27.387  -0.798   7.108
  175   2H5*    A  17          2H5*        A  17  27.781  -2.479   7.523
  176    H4*    A  17           H4*        A  17  25.424  -1.713   8.147
  177    H3*    A  17           H3*        A  17  25.933  -4.103   6.353
  178   1H2*    A  17          1H2*        A  17  23.605  -4.505   6.281
  179   2HO*    A  17          2HO*        A  17  22.154  -3.379   7.681
  180    H1*    A  17           H1*        A  17  22.792  -1.886   6.030
  181    H8     A  17           H8         A  17  25.756  -2.197   3.792
  182   1H6     A  17          1H6         A  17  22.210  -4.982  -0.402
  183   2H6     A  17          2H6         A  17  23.766  -4.241  -0.100
  184    H2     A  17           H2         A  17  19.886  -4.749   3.444
  185   1H5*    U  18          1H5*        U  18  23.630  -5.962   9.099
  186   2H5*    U  18          2H5*        U  18  24.170  -7.622   9.426
  187    H4*    U  18           H4*        U  18  21.948  -7.467   8.219
  188    H3*    U  18           H3*        U  18  24.332  -8.860   6.923
  189   1H2*    U  18          1H2*        U  18  22.963  -9.474   5.114
  190   2HO*    U  18          2HO*        U  18  20.696  -8.619   6.629
  191    H1*    U  18           H1*        U  18  21.522  -7.103   4.948
  192    H3     U  18           H3         U  18  24.052  -7.704   1.126
  193    H5     U  18           H5         U  18  26.621  -5.846   3.908
  194    H6     U  18           H6         U  18  24.930  -6.183   5.612
  195   1H5*    G  19          1H5*        G  19  21.543 -13.046   7.700
  196   2H5*    G  19          2H5*        G  19  23.040 -14.013   7.767
  197    H4*    G  19           H4*        G  19  21.127 -14.594   6.040
  198    H3*    G  19           H3*        G  19  24.078 -14.289   5.295
  199   1H2*    G  19          1H2*        G  19  23.511 -15.043   3.126
  200   2HO*    G  19          2HO*        G  19  21.523 -16.003   2.655
  201    H1*    G  19           H1*        G  19  21.141 -13.606   2.935
  202    H8     G  19           H8         G  19  23.915 -11.496   4.435
  203    H1     G  19           H1         G  19  24.314 -11.876  -1.920
  204   1H2     G  19          1H2         G  19  21.847 -14.326  -1.628
  205   2H2     G  19          2H2         G  19  22.889 -13.402  -2.687
  206   1H5*    C  20          1H5*        C  20  23.179 -18.480   3.870
  207   2H5*    C  20          2H5*        C  20  24.599 -19.417   4.377
  208    H4*    C  20           H4*        C  20  24.073 -19.646   1.927
  209    H3*    C  20           H3*        C  20  26.718 -18.323   2.719
  210   1H2*    C  20          1H2*        C  20  27.296 -18.400   0.421
  211   2HO*    C  20          2HO*        C  20  26.139 -19.628  -1.079
  212    H1*    C  20           H1*        C  20  24.777 -17.691  -0.528
  213   1H4     C  20          1H4         C  20  28.036 -12.097   0.976
  214   2H4     C  20          2H4         C  20  28.377 -12.403  -0.710
  215    H5     C  20           H5         C  20  26.803 -13.631   2.374
  216    H6     C  20           H6         C  20  25.637 -15.782   2.451
  217   1H5*    C  21          1H5*        C  21  27.506 -22.105   0.349
  218   2H5*    C  21          2H5*        C  21  29.098 -22.761   0.780
  219    H4*    C  21           H4*        C  21  28.595 -22.170  -1.731
  220    H3*    C  21           H3*        C  21  31.103 -21.323  -0.202
  221   1H2*    C  21          1H2*        C  21  31.944 -20.419  -2.215
  222   2HO*    C  21          2HO*        C  21  31.003 -20.883  -4.235
  223    H1*    C  21           H1*        C  21  29.530 -19.362  -3.118
  224   1H4     C  21          1H4         C  21  32.304 -14.922   0.978
  225   2H4     C  21          2H4         C  21  32.781 -14.452  -0.637
  226    H5     C  21           H5         C  21  31.066 -16.938   1.455
  227    H6     C  21           H6         C  21  30.023 -18.930   0.489
  228    H3T    C  21           H3T        C  21  31.934 -23.104  -1.339
   
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  38.200  -1.169  -8.859
    2   2H5*    G   1          2H5*        G   1  36.633  -0.332  -8.699
    3    H4*    G   1           H4*        G   1  36.702  -2.143 -10.467
    4    H3*    G   1           H3*        G   1  34.872  -2.458  -8.049
    5   1H2*    G   1          1H2*        G   1  34.039  -4.463  -8.955
    6   2HO*    G   1          2HO*        G   1  34.331  -5.046 -11.111
    7    H1*    G   1           H1*        G   1  36.438  -5.432  -9.952
    8    H8     G   1           H8         G   1  36.747  -3.968  -6.438
    9    H1     G   1           H1         G   1  34.699 -10.017  -6.447
   10   1H2     G   1          1H2         G   1  34.433  -9.595  -9.905
   11   2H2     G   1          2H2         G   1  34.237 -10.658  -8.530
   12    H5T    G   1           H5T        G   1  37.570  -0.878  -6.679
   13   1H5*    G   2          1H5*        G   2  32.344  -2.635 -11.922
   14   2H5*    G   2          2H5*        G   2  30.706  -2.070 -11.501
   15    H4*    G   2           H4*        G   2  31.042  -4.426 -12.610
   16    H3*    G   2           H3*        G   2  29.429  -3.925 -10.070
   17   1H2*    G   2          1H2*        G   2  28.829  -6.198 -10.026
   18   2HO*    G   2          2HO*        G   2  29.912  -6.460 -12.660
   19    H1*    G   2           H1*        G   2  31.290  -7.217 -10.821
   20    H8     G   2           H8         G   2  31.793  -4.506  -8.235
   21    H1     G   2           H1         G   2  30.027 -10.045  -5.601
   22   1H2     G   2          1H2         G   2  29.382 -11.046  -8.884
   23   2H2     G   2          2H2         G   2  29.380 -11.468  -7.186
   24   1H5*    C   3          1H5*        C   3  25.504  -4.680 -12.937
   25   2H5*    C   3          2H5*        C   3  24.449  -3.585 -12.020
   26    H4*    C   3           H4*        C   3  23.798  -6.123 -12.218
   27    H3*    C   3           H3*        C   3  23.851  -4.542  -9.604
   28   1H2*    C   3          1H2*        C   3  22.958  -6.446  -8.527
   29   2HO*    C   3          2HO*        C   3  21.356  -7.058  -9.955
   30    H1*    C   3           H1*        C   3  24.474  -8.328  -9.906
   31   1H4     C   3          1H4         C   3  28.088  -6.062  -4.798
   32   2H4     C   3          2H4         C   3  27.315  -7.525  -4.230
   33    H5     C   3           H5         C   3  27.649  -5.093  -6.967
   34    H6     C   3           H6         C   3  26.372  -5.315  -9.042
   35   1H5*    G   4          1H5*        G   4  19.476  -5.826 -10.411
   36   2H5*    G   4          2H5*        G   4  18.392  -4.702  -9.549
   37    H4*    G   4           H4*        G   4  18.286  -7.300  -9.095
   38    H3*    G   4           H3*        G   4  18.432  -5.150  -6.931
   39   1H2*    G   4          1H2*        G   4  18.244  -6.846  -5.300
   40   2HO*    G   4          2HO*        G   4  17.563  -8.937  -5.790
   41    H1*    G   4           H1*        G   4  19.855  -8.713  -6.567
   42    H8     G   4           H8         G   4  21.485  -5.298  -6.685
   43    H1     G   4           H1         G   4  22.271  -8.206  -1.056
   44   1H2     G   4          1H2         G   4  20.971 -10.002  -0.941
   45   2H2     G   4          2H2         G   4  19.911 -10.478  -2.249
   46   1H5*    U   5          1H5*        U   5  14.111  -6.794  -5.094
   47   2H5*    U   5          2H5*        U   5  13.647  -5.084  -4.972
   48    H4*    U   5           H4*        U   5  13.787  -6.526  -2.779
   49    H3*    U   5           H3*        U   5  15.007  -3.758  -3.177
   50   1H2*    U   5          1H2*        U   5  15.765  -3.785  -0.948
   51   2HO*    U   5          2HO*        U   5  14.974  -5.210   0.596
   52    H1*    U   5           H1*        U   5  16.502  -6.453  -0.843
   53    H3     U   5           H3         U   5  20.346  -4.031  -0.369
   54    H5     U   5           H5         U   5  19.589  -4.064  -4.515
   55    H6     U   5           H6         U   5  17.418  -5.022  -4.046
   56   1H5*    A   6          1H5*        A   6  12.793  -3.697   0.892
   57   2H5*    A   6          2H5*        A   6  11.819  -2.224   0.716
   58    H4*    A   6           H4*        A   6  13.024  -2.165   2.854
   59    H3*    A   6           H3*        A   6  13.943  -0.262   0.676
   60   1H2*    A   6          1H2*        A   6  15.632   0.575   2.014
   61   2HO*    A   6          2HO*        A   6  13.953   0.705   3.847
   62    H1*    A   6           H1*        A   6  16.200  -1.741   3.511
   63    H8     A   6           H8         A   6  16.095  -1.383  -0.340
   64   1H6     A   6          1H6         A   6  22.228  -1.047  -0.142
   65   2H6     A   6          2H6         A   6  20.825  -1.093  -1.184
   66    H2     A   6           H2         A   6  20.716  -1.291   4.088
   67   1H5*    A   7          1H5*        A   7  12.480   2.801   4.444
   68   2H5*    A   7          2H5*        A   7  12.892   4.301   3.584
   69    H4*    A   7           H4*        A   7  14.185   3.458   5.831
   70    H3*    A   7           H3*        A   7  15.337   4.944   3.417
   71   1H2*    A   7          1H2*        A   7  17.402   4.998   4.575
   72   2HO*    A   7          2HO*        A   7  17.577   4.501   6.772
   73    H1*    A   7           H1*        A   7  17.243   2.409   5.573
   74    H8     A   7           H8         A   7  16.277   3.047   1.885
   75   1H6     A   7          1H6         A   7  22.142   1.749   0.523
   76   2H6     A   7          2H6         A   7  20.565   2.119  -0.136
   77    H2     A   7           H2         A   7  21.731   1.766   4.999
   78   1H5*    G   8          1H5*        G   8  16.373   8.070   6.821
   79   2H5*    G   8          2H5*        G   8  16.592   9.534   5.826
   80    H4*    G   8           H4*        G   8  18.589   8.547   7.250
   81    H3*    G   8           H3*        G   8  18.818   9.266   4.283
   82   1H2*    G   8          1H2*        G   8  21.146   8.875   4.499
   83   2HO*    G   8          2HO*        G   8  22.156   8.649   6.501
   84    H1*    G   8           H1*        G   8  20.886   6.599   6.072
   85    H8     G   8           H8         G   8  18.405   6.683   3.177
   86    H1     G   8           H1         G   8  24.205   4.705   1.399
   87   1H2     G   8          1H2         G   8  25.178   5.663   4.613
   88   2H2     G   8          2H2         G   8  25.650   4.987   3.071
   89   1H5*    G   9          1H5*        G   9  21.926  12.189   5.956
   90   2H5*    G   9          2H5*        G   9  21.905  13.511   4.763
   91    H4*    G   9           H4*        G   9  24.103  12.121   5.198
   92    H3*    G   9           H3*        G   9  22.961  12.625   2.411
   93   1H2*    G   9          1H2*        G   9  24.987  11.686   1.581
   94   2HO*    G   9          2HO*        G   9  26.489  12.628   2.965
   95    H1*    G   9           H1*        G   9  25.052   9.584   3.381
   96    H8     G   9           H8         G   9  21.480   9.877   2.329
   97    H1     G   9           H1         G   9  25.041   7.397  -2.353
   98   1H2     G   9          1H2         G   9  27.757   8.417  -0.407
   99   2H2     G   9          2H2         G   9  27.202   7.643  -1.874
  100   1H5*    A  10          1H5*        A  10  26.399  15.451   1.868
  101   2H5*    A  10          2H5*        A  10  25.927  16.517   0.533
  102    H4*    A  10           H4*        A  10  27.722  14.640   0.113
  103    H3*    A  10           H3*        A  10  25.307  15.215  -1.667
  104   1H2*    A  10          1H2*        A  10  26.031  13.525  -3.112
  105   2HO*    A  10          2HO*        A  10  28.218  14.050  -3.267
  106    H1*    A  10           H1*        A  10  26.888  11.718  -1.219
  107    H8     A  10           H8         A  10  23.660  12.452   0.163
  108   1H6     A  10          1H6         A  10  20.824   9.954  -4.710
  109   2H6     A  10          2H6         A  10  20.622  10.492  -3.057
  110    H2     A  10           H2         A  10  25.132  10.685  -5.805
  111   1H5*    U  11          1H5*        U  11  26.717  13.893  -4.999
  112   2H5*    U  11          2H5*        U  11  27.653  15.303  -5.514
  113    H4*    U  11           H4*        U  11  26.566  14.494  -7.488
  114    H3*    U  11           H3*        U  11  26.049  17.075  -6.698
  115   1H2*    U  11          1H2*        U  11  24.025  16.672  -5.550
  116   2HO*    U  11          2HO*        U  11  23.554  18.193  -7.205
  117    H1*    U  11           H1*        U  11  23.090  14.833  -7.768
  118    H3     U  11           H3         U  11  19.422  13.555  -5.531
  119    H5     U  11           H5         U  11  22.114  14.423  -2.405
  120    H6     U  11           H6         U  11  23.779  14.986  -4.074
  121   1H5*    U  12          1H5*        U  12  27.717  14.296  -9.336
  122   2H5*    U  12          2H5*        U  12  28.177  14.478 -11.029
  123    H4*    U  12           H4*        U  12  26.663  12.379  -9.816
  124    H3*    U  12           H3*        U  12  28.291  12.697 -11.971
  125   1H2*    U  12          1H2*        U  12  26.843  13.797 -13.384
  126   2HO*    U  12          2HO*        U  12  27.112  12.139 -14.723
  127    H1*    U  12           H1*        U  12  24.426  12.204 -12.651
  128    H3     U  12           H3         U  12  22.551  15.134 -15.612
  129    H5     U  12           H5         U  12  24.011  17.578 -12.500
  130    H6     U  12           H6         U  12  25.080  15.619 -11.547
  131   1H5*    A  13          1H5*        A  13  29.297   7.355 -12.876
  132   2H5*    A  13          2H5*        A  13  27.682   6.691 -13.180
  133    H4*    A  13           H4*        A  13  28.980   7.148 -10.648
  134    H3*    A  13           H3*        A  13  27.117   5.391 -11.617
  135   1H2*    A  13          1H2*        A  13  25.296   6.891 -11.722
  136   2HO*    A  13          2HO*        A  13  23.975   6.452  -9.929
  137    H1*    A  13           H1*        A  13  26.064   8.069  -9.050
  138    H8     A  13           H8         A  13  24.834   8.960 -12.641
  139   1H6     A  13          1H6         A  13  21.697  13.433  -9.798
  140   2H6     A  13          2H6         A  13  21.899  12.574 -11.308
  141    H2     A  13           H2         A  13  24.535  11.534  -6.863
  142   1H5*    C  14          1H5*        C  14  30.007   4.274  -9.042
  143   2H5*    C  14          2H5*        C  14  30.227   3.125  -7.714
  144    H4*    C  14           H4*        C  14  31.165   5.446  -7.279
  145    H3*    C  14           H3*        C  14  29.044   4.197  -5.482
  146   1H2*    C  14          1H2*        C  14  29.137   6.079  -4.074
  147   2HO*    C  14          2HO*        C  14  31.482   6.910  -5.483
  148    H1*    C  14           H1*        C  14  29.370   8.009  -6.060
  149   1H4     C  14          1H4         C  14  22.889   6.794  -5.716
  150   2H4     C  14          2H4         C  14  23.206   7.733  -4.274
  151    H5     C  14           H5         C  14  24.643   6.032  -7.216
  152    H6     C  14           H6         C  14  27.071   5.843  -7.514
  153   1H5*    C  15          1H5*        C  15  32.511   4.208  -2.600
  154   2H5*    C  15          2H5*        C  15  32.554   2.608  -1.831
  155    H4*    C  15           H4*        C  15  32.298   4.530  -0.202
  156    H3*    C  15           H3*        C  15  30.138   2.391  -0.441
  157   1H2*    C  15          1H2*        C  15  28.954   3.404   1.318
  158   2HO*    C  15          2HO*        C  15  29.881   4.916   2.706
  159    H1*    C  15           H1*        C  15  29.426   6.048   0.584
  160   1H4     C  15          1H4         C  15  24.243   3.922  -2.986
  161   2H4     C  15          2H4         C  15  23.564   4.270  -1.413
  162    H5     C  15           H5         C  15  26.608   3.997  -3.448
  163    H6     C  15           H6         C  15  28.827   4.430  -2.508
  164   1H5*    U  16          1H5*        U  16  30.824   2.266   3.816
  165   2H5*    U  16          2H5*        U  16  30.908   0.558   4.293
  166    H4*    U  16           H4*        U  16  29.085   2.070   5.401
  167    H3*    U  16           H3*        U  16  28.450  -0.611   4.067
  168   1H2*    U  16          1H2*        U  16  26.265  -0.397   4.964
  169   2HO*    U  16          2HO*        U  16  26.740   0.327   7.044
  170    H1*    U  16           H1*        U  16  26.020   2.317   4.398
  171    H3     U  16           H3         U  16  23.076  -0.300   1.903
  172    H5     U  16           H5         U  16  26.642  -0.055  -0.339
  173    H6     U  16           H6         U  16  27.714   0.956   1.583
  174   1H5*    A  17          1H5*        A  17  27.224  -2.125   8.285
  175   2H5*    A  17          2H5*        A  17  27.737  -3.813   8.075
  176    H4*    A  17           H4*        A  17  25.215  -3.354   8.484
  177    H3*    A  17           H3*        A  17  26.204  -5.010   6.129
  178   1H2*    A  17          1H2*        A  17  23.920  -5.534   5.741
  179   2HO*    A  17          2HO*        A  17  23.202  -4.232   8.171
  180    H1*    A  17           H1*        A  17  22.952  -2.981   6.237
  181    H8     A  17           H8         A  17  26.052  -2.683   4.123
  182   1H6     A  17          1H6         A  17  22.612  -4.013  -0.814
  183   2H6     A  17          2H6         A  17  24.172  -3.442  -0.262
  184    H2     A  17           H2         A  17  20.138  -4.808   2.856
  185   1H5*    U  18          1H5*        U  18  23.855  -7.852   7.885
  186   2H5*    U  18          2H5*        U  18  24.511  -9.484   7.639
  187    H4*    U  18           H4*        U  18  22.342  -9.011   6.401
  188    H3*    U  18           H3*        U  18  24.882  -9.720   4.854
  189   1H2*    U  18          1H2*        U  18  23.594  -9.776   2.883
  190   2HO*    U  18          2HO*        U  18  21.230  -9.562   4.470
  191    H1*    U  18           H1*        U  18  22.021  -7.560   3.473
  192    H3     U  18           H3         U  18  24.701  -6.737  -0.212
  193    H5     U  18           H5         U  18  27.066  -5.796   3.153
  194    H6     U  18           H6         U  18  25.338  -6.745   4.565
  195   1H5*    G  19          1H5*        G  19  22.754 -14.246   3.795
  196   2H5*    G  19          2H5*        G  19  24.423 -14.858   3.672
  197    H4*    G  19           H4*        G  19  22.754 -15.055   1.635
  198    H3*    G  19           H3*        G  19  25.584 -13.911   1.400
  199   1H2*    G  19          1H2*        G  19  25.247 -13.898  -0.946
  200   2HO*    G  19          2HO*        G  19  22.786 -15.296  -0.589
  201    H1*    G  19           H1*        G  19  22.627 -12.983  -0.837
  202    H8     G  19           H8         G  19  24.965 -11.157   1.566
  203    H1     G  19           H1         G  19  25.304  -8.921  -4.397
  204   1H2     G  19          1H2         G  19  23.316 -11.665  -5.222
  205   2H2     G  19          2H2         G  19  24.160 -10.236  -5.776
  206   1H5*    C  20          1H5*        C  20  25.623 -17.469  -1.534
  207   2H5*    C  20          2H5*        C  20  27.290 -18.069  -1.410
  208    H4*    C  20           H4*        C  20  26.480 -17.454  -3.766
  209    H3*    C  20           H3*        C  20  28.957 -16.115  -2.566
  210   1H2*    C  20          1H2*        C  20  29.323 -15.182  -4.717
  211   2HO*    C  20          2HO*        C  20  28.239 -15.905  -6.553
  212    H1*    C  20           H1*        C  20  26.648 -14.607  -5.229
  213   1H4     C  20          1H4         C  20  29.167  -9.565  -1.710
  214   2H4     C  20          2H4         C  20  29.402  -9.132  -3.388
  215    H5     C  20           H5         C  20  28.301 -11.706  -1.007
  216    H6     C  20           H6         C  20  27.476 -13.882  -1.762
  217   1H5*    C  21          1H5*        C  21  30.055 -18.432  -6.281
  218   2H5*    C  21          2H5*        C  21  31.746 -18.963  -6.189
  219    H4*    C  21           H4*        C  21  30.974 -17.499  -8.230
  220    H3*    C  21           H3*        C  21  33.470 -16.987  -6.544
  221   1H2*    C  21          1H2*        C  21  34.036 -15.228  -8.010
  222   2HO*    C  21          2HO*        C  21  33.657 -16.218  -9.992
  223    H1*    C  21           H1*        C  21  31.449 -14.255  -8.358
  224   1H4     C  21          1H4         C  21  33.919 -11.533  -2.820
  225   2H4     C  21          2H4         C  21  34.240 -10.386  -4.100
  226    H5     C  21           H5         C  21  32.964 -13.714  -3.208
  227    H6     C  21           H6         C  21  32.113 -15.260  -4.901
  228    H3T    C  21           H3T        C  21  33.008 -18.053  -9.168
   
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  39.436  -5.118  -7.899
    2   2H5*    G   1          2H5*        G   1  38.163  -3.875  -7.771
    3    H4*    G   1           H4*        G   1  37.928  -5.415  -9.758
    4    H3*    G   1           H3*        G   1  35.813  -5.467  -7.564
    5   1H2*    G   1          1H2*        G   1  34.574  -7.039  -8.799
    6   2HO*    G   1          2HO*        G   1  34.967  -7.453 -10.989
    7    H1*    G   1           H1*        G   1  36.713  -8.541  -9.724
    8    H8     G   1           H8         G   1  37.342  -7.854  -6.095
    9    H1     G   1           H1         G   1  32.879 -12.348  -6.885
   10   1H2     G   1          1H2         G   1  32.899 -11.352 -10.231
   11   2H2     G   1          2H2         G   1  32.230 -12.415  -9.012
   12    H5T    G   1           H5T        G   1  38.656  -4.903  -5.770
   13   1H5*    G   2          1H5*        G   2  33.549  -4.550 -11.399
   14   2H5*    G   2          2H5*        G   2  32.170  -3.514 -10.945
   15    H4*    G   2           H4*        G   2  31.729  -5.786 -12.161
   16    H3*    G   2           H3*        G   2  30.391  -4.964  -9.548
   17   1H2*    G   2          1H2*        G   2  29.126  -6.947  -9.588
   18   2HO*    G   2          2HO*        G   2  28.469  -6.936 -11.744
   19    H1*    G   2           H1*        G   2  31.134  -8.627 -10.518
   20    H8     G   2           H8         G   2  32.560  -6.384  -7.846
   21    H1     G   2           H1         G   2  29.112 -11.142  -5.361
   22   1H2     G   2          1H2         G   2  28.063 -11.694  -8.644
   23   2H2     G   2          2H2         G   2  27.969 -12.177  -6.964
   24   1H5*    C   3          1H5*        C   3  26.521  -4.685 -12.433
   25   2H5*    C   3          2H5*        C   3  25.589  -3.476 -11.527
   26    H4*    C   3           H4*        C   3  24.569  -5.871 -11.884
   27    H3*    C   3           H3*        C   3  24.685  -4.378  -9.225
   28   1H2*    C   3          1H2*        C   3  23.533  -6.161  -8.207
   29   2HO*    C   3          2HO*        C   3  22.997  -7.201 -10.815
   30    H1*    C   3           H1*        C   3  24.798  -8.228  -9.568
   31   1H4     C   3          1H4         C   3  28.567  -6.581  -4.340
   32   2H4     C   3          2H4         C   3  27.638  -7.980  -3.851
   33    H5     C   3           H5         C   3  28.261  -5.468  -6.457
   34    H6     C   3           H6         C   3  27.013  -5.462  -8.560
   35   1H5*    G   4          1H5*        G   4  20.284  -5.241 -10.365
   36   2H5*    G   4          2H5*        G   4  19.220  -4.073  -9.539
   37    H4*    G   4           H4*        G   4  18.879  -6.672  -9.224
   38    H3*    G   4           H3*        G   4  18.991  -4.624  -6.963
   39   1H2*    G   4          1H2*        G   4  18.578  -6.354  -5.416
   40   2HO*    G   4          2HO*        G   4  17.955  -8.071  -7.616
   41    H1*    G   4           H1*        G   4  20.141  -8.293  -6.628
   42    H8     G   4           H8         G   4  21.991  -4.988  -6.500
   43    H1     G   4           H1         G   4  22.217  -8.161  -0.967
   44   1H2     G   4          1H2         G   4  20.799  -9.872  -1.016
   45   2H2     G   4          2H2         G   4  19.804 -10.227  -2.411
   46   1H5*    U   5          1H5*        U   5  14.502  -6.216  -5.488
   47   2H5*    U   5          2H5*        U   5  14.066  -4.501  -5.340
   48    H4*    U   5           H4*        U   5  14.002  -6.009  -3.193
   49    H3*    U   5           H3*        U   5  15.333  -3.273  -3.406
   50   1H2*    U   5          1H2*        U   5  15.929  -3.394  -1.134
   51   2HO*    U   5          2HO*        U   5  14.174  -5.637  -0.897
   52    H1*    U   5           H1*        U   5  16.567  -6.085  -1.056
   53    H3     U   5           H3         U   5  20.456  -3.824  -0.234
   54    H5     U   5           H5         U   5  19.988  -3.702  -4.425
   55    H6     U   5           H6         U   5  17.758  -4.590  -4.137
   56   1H5*    A   6          1H5*        A   6  12.771  -3.502   0.328
   57   2H5*    A   6          2H5*        A   6  11.806  -2.013   0.323
   58    H4*    A   6           H4*        A   6  12.851  -2.378   2.535
   59    H3*    A   6           H3*        A   6  13.653  -0.034   0.824
   60   1H2*    A   6          1H2*        A   6  15.417   0.592   2.150
   61   2HO*    A   6          2HO*        A   6  15.491   0.063   4.407
   62    H1*    A   6           H1*        A   6  16.093  -1.881   3.340
   63    H8     A   6           H8         A   6  15.887  -1.039  -0.431
   64   1H6     A   6          1H6         A   6  22.017  -0.649  -0.344
   65   2H6     A   6          2H6         A   6  20.586  -0.582  -1.347
   66    H2     A   6           H2         A   6  20.620  -1.425   3.863
   67   1H5*    A   7          1H5*        A   7  12.901   4.234   3.809
   68   2H5*    A   7          2H5*        A   7  14.064   3.501   2.680
   69    H4*    A   7           H4*        A   7  14.225   3.393   5.731
   70    H3*    A   7           H3*        A   7  15.701   5.022   3.617
   71   1H2*    A   7          1H2*        A   7  17.672   4.861   4.898
   72   2HO*    A   7          2HO*        A   7  16.772   5.343   6.935
   73    H1*    A   7           H1*        A   7  17.352   2.226   5.702
   74    H8     A   7           H8         A   7  16.560   2.965   2.014
   75   1H6     A   7          1H6         A   7  22.490   1.777   0.853
   76   2H6     A   7          2H6         A   7  20.931   2.129   0.141
   77    H2     A   7           H2         A   7  21.927   1.772   5.307
   78   1H5*    G   8          1H5*        G   8  16.472   8.259   6.832
   79   2H5*    G   8          2H5*        G   8  16.633   9.663   5.744
   80    H4*    G   8           H4*        G   8  18.711   8.744   7.098
   81    H3*    G   8           H3*        G   8  18.753   9.307   4.089
   82   1H2*    G   8          1H2*        G   8  21.089   8.899   4.169
   83   2HO*    G   8          2HO*        G   8  22.229   8.755   6.101
   84    H1*    G   8           H1*        G   8  20.917   6.688   5.825
   85    H8     G   8           H8         G   8  18.159   6.537   3.242
   86    H1     G   8           H1         G   8  23.826   4.893   0.824
   87   1H2     G   8          1H2         G   8  25.116   6.083   3.841
   88   2H2     G   8          2H2         G   8  25.442   5.365   2.280
   89   1H5*    G   9          1H5*        G   9  22.140  12.081   5.364
   90   2H5*    G   9          2H5*        G   9  22.078  13.365   4.133
   91    H4*    G   9           H4*        G   9  24.228  11.864   4.413
   92    H3*    G   9           H3*        G   9  22.846  12.378   1.741
   93   1H2*    G   9          1H2*        G   9  24.676  11.263   0.714
   94   2HO*    G   9          2HO*        G   9  26.558  10.740   1.848
   95    H1*    G   9           H1*        G   9  24.813   9.199   2.562
   96    H8     G   9           H8         G   9  21.168   9.831   1.900
   97    H1     G   9           H1         G   9  23.879   6.618  -2.901
   98   1H2     G   9          1H2         G   9  26.897   7.440  -1.342
   99   2H2     G   9          2H2         G   9  26.097   6.642  -2.678
  100   1H5*    A  10          1H5*        A  10  26.396  15.054   0.625
  101   2H5*    A  10          2H5*        A  10  25.684  16.046  -0.657
  102    H4*    A  10           H4*        A  10  27.434  14.185  -1.287
  103    H3*    A  10           H3*        A  10  24.734  14.588  -2.668
  104   1H2*    A  10          1H2*        A  10  25.350  12.896  -4.167
  105   2HO*    A  10          2HO*        A  10  27.497  13.541  -4.577
  106    H1*    A  10           H1*        A  10  26.497  11.199  -2.335
  107    H8     A  10           H8         A  10  23.448  11.995  -0.574
  108   1H6     A  10          1H6         A  10  20.062   9.154  -4.868
  109   2H6     A  10          2H6         A  10  20.061   9.809  -3.245
  110    H2     A  10           H2         A  10  24.187   9.819  -6.542
  111   1H5*    U  11          1H5*        U  11  24.590  13.933  -5.464
  112   2H5*    U  11          2H5*        U  11  26.099  13.416  -6.232
  113    H4*    U  11           H4*        U  11  25.247  13.624  -8.366
  114    H3*    U  11           H3*        U  11  24.564  16.202  -7.699
  115   1H2*    U  11          1H2*        U  11  22.607  15.710  -6.488
  116   2HO*    U  11          2HO*        U  11  21.619  15.814  -9.172
  117    H1*    U  11           H1*        U  11  21.717  13.712  -8.579
  118    H3     U  11           H3         U  11  18.150  12.564  -6.102
  119    H5     U  11           H5         U  11  21.048  13.413  -3.161
  120    H6     U  11           H6         U  11  22.612  13.939  -4.937
  121   1H5*    U  12          1H5*        U  12  26.277  13.418 -10.353
  122   2H5*    U  12          2H5*        U  12  26.621  13.444 -12.085
  123    H4*    U  12           H4*        U  12  25.119  11.510 -10.596
  124    H3*    U  12           H3*        U  12  26.612  11.591 -12.872
  125   1H2*    U  12          1H2*        U  12  25.111  12.630 -14.277
  126   2HO*    U  12          2HO*        U  12  24.113   9.964 -14.414
  127    H1*    U  12           H1*        U  12  22.698  11.187 -13.260
  128    H3     U  12           H3         U  12  20.727  13.919 -16.344
  129    H5     U  12           H5         U  12  22.438  16.561 -13.538
  130    H6     U  12           H6         U  12  23.512  14.654 -12.489
  131   1H5*    A  13          1H5*        A  13  27.436   6.186 -13.291
  132   2H5*    A  13          2H5*        A  13  25.824   5.532 -13.635
  133    H4*    A  13           H4*        A  13  27.040   6.033 -11.069
  134    H3*    A  13           H3*        A  13  25.202   4.255 -12.046
  135   1H2*    A  13          1H2*        A  13  23.388   5.778 -12.268
  136   2HO*    A  13          2HO*        A  13  22.617   4.170 -10.862
  137    H1*    A  13           H1*        A  13  24.083   7.005  -9.601
  138    H8     A  13           H8         A  13  23.080   7.912 -13.258
  139   1H6     A  13          1H6         A  13  19.843  12.415 -10.555
  140   2H6     A  13          2H6         A  13  20.156  11.603 -12.073
  141    H2     A  13           H2         A  13  22.351  10.321  -7.452
  142   1H5*    C  14          1H5*        C  14  28.276   3.794  -9.975
  143   2H5*    C  14          2H5*        C  14  28.948   2.685  -8.777
  144    H4*    C  14           H4*        C  14  29.638   5.026  -8.331
  145    H3*    C  14           H3*        C  14  27.801   3.633  -6.341
  146   1H2*    C  14          1H2*        C  14  27.874   5.536  -4.959
  147   2HO*    C  14          2HO*        C  14  29.974   6.578  -6.592
  148    H1*    C  14           H1*        C  14  27.753   7.453  -6.966
  149   1H4     C  14          1H4         C  14  21.459   5.748  -6.046
  150   2H4     C  14          2H4         C  14  21.831   6.727  -4.645
  151    H5     C  14           H5         C  14  23.131   5.113  -7.709
  152    H6     C  14           H6         C  14  25.538   5.081  -8.195
  153   1H5*    C  15          1H5*        C  15  31.802   3.586  -3.737
  154   2H5*    C  15          2H5*        C  15  31.725   1.939  -3.073
  155    H4*    C  15           H4*        C  15  31.819   3.866  -1.359
  156    H3*    C  15           H3*        C  15  29.621   1.752  -1.387
  157   1H2*    C  15          1H2*        C  15  28.669   2.717   0.527
  158   2HO*    C  15          2HO*        C  15  29.777   4.215   1.821
  159    H1*    C  15           H1*        C  15  29.074   5.381  -0.161
  160   1H4     C  15          1H4         C  15  23.475   3.478  -3.173
  161   2H4     C  15          2H4         C  15  23.002   3.662  -1.499
  162    H5     C  15           H5         C  15  25.763   3.632  -3.923
  163    H6     C  15           H6         C  15  28.082   4.016  -3.234
  164   1H5*    U  16          1H5*        U  16  31.068   1.554   2.753
  165   2H5*    U  16          2H5*        U  16  30.979  -0.129   3.312
  166    H4*    U  16           H4*        U  16  29.549   1.714   4.540
  167    H3*    U  16           H3*        U  16  28.462  -0.982   3.586
  168   1H2*    U  16          1H2*        U  16  26.419  -0.441   4.673
  169   2HO*    U  16          2HO*        U  16  26.242   1.337   6.076
  170    H1*    U  16           H1*        U  16  26.344   2.195   3.835
  171    H3     U  16           H3         U  16  22.997  -0.331   1.831
  172    H5     U  16           H5         U  16  26.399  -0.765  -0.624
  173    H6     U  16           H6         U  16  27.703   0.345   1.086
  174   1H5*    A  17          1H5*        A  17  27.586  -2.248   8.117
  175   2H5*    A  17          2H5*        A  17  28.017  -3.941   7.797
  176    H4*    A  17           H4*        A  17  25.562  -3.373   8.521
  177    H3*    A  17           H3*        A  17  26.287  -5.126   6.144
  178   1H2*    A  17          1H2*        A  17  23.966  -5.568   5.897
  179   2HO*    A  17          2HO*        A  17  23.057  -5.877   7.809
  180    H1*    A  17           H1*        A  17  23.106  -2.984   6.335
  181    H8     A  17           H8         A  17  26.191  -2.821   4.178
  182   1H6     A  17          1H6         A  17  22.692  -4.193  -0.693
  183   2H6     A  17          2H6         A  17  24.274  -3.670  -0.162
  184    H2     A  17           H2         A  17  20.201  -4.778   3.004
  185   1H5*    U  18          1H5*        U  18  23.866  -7.923   8.029
  186   2H5*    U  18          2H5*        U  18  24.512  -9.545   7.707
  187    H4*    U  18           H4*        U  18  22.271  -8.964   6.584
  188    H3*    U  18           H3*        U  18  24.718  -9.893   5.017
  189   1H2*    U  18          1H2*        U  18  23.442  -9.868   3.044
  190   2HO*    U  18          2HO*        U  18  21.580 -10.903   3.795
  191    H1*    U  18           H1*        U  18  22.004  -7.550   3.579
  192    H3     U  18           H3         U  18  24.811  -7.025  -0.091
  193    H5     U  18           H5         U  18  27.104  -5.999   3.296
  194    H6     U  18           H6         U  18  25.314  -6.839   4.696
  195   1H5*    G  19          1H5*        G  19  21.700 -13.686   4.057
  196   2H5*    G  19          2H5*        G  19  23.018 -14.846   3.744
  197    H4*    G  19           H4*        G  19  21.194 -14.338   1.901
  198    H3*    G  19           H3*        G  19  24.210 -14.307   1.405
  199   1H2*    G  19          1H2*        G  19  23.759 -13.959  -0.884
  200   2HO*    G  19          2HO*        G  19  20.988 -14.428  -0.391
  201    H1*    G  19           H1*        G  19  21.665 -12.178  -0.528
  202    H8     G  19           H8         G  19  24.593 -11.461   1.797
  203    H1     G  19           H1         G  19  25.490  -9.131  -4.073
  204   1H2     G  19          1H2         G  19  22.643 -10.962  -4.912
  205   2H2     G  19          2H2         G  19  23.914  -9.886  -5.446
  206   1H5*    C  20          1H5*        C  20  22.670 -17.268  -1.724
  207   2H5*    C  20          2H5*        C  20  24.058 -18.327  -2.040
  208    H4*    C  20           H4*        C  20  23.080 -16.887  -4.006
  209    H3*    C  20           H3*        C  20  26.055 -17.003  -3.294
  210   1H2*    C  20          1H2*        C  20  26.454 -15.747  -5.261
  211   2HO*    C  20          2HO*        C  20  23.713 -16.067  -5.994
  212    H1*    C  20           H1*        C  20  24.270 -14.045  -4.963
  213   1H4     C  20          1H4         C  20  29.305 -11.601  -1.373
  214   2H4     C  20          2H4         C  20  29.453 -10.866  -2.953
  215    H5     C  20           H5         C  20  27.679 -13.310  -0.859
  216    H6     C  20           H6         C  20  25.851 -14.673  -1.749
  217   1H5*    C  21          1H5*        C  21  25.477 -18.423  -7.539
  218   2H5*    C  21          2H5*        C  21  26.764 -19.574  -7.950
  219    H4*    C  21           H4*        C  21  26.456 -17.419  -9.423
  220    H3*    C  21           H3*        C  21  29.117 -18.409  -8.293
  221   1H2*    C  21          1H2*        C  21  30.201 -16.677  -9.470
  222   2HO*    C  21          2HO*        C  21  27.749 -16.133 -10.835
  223    H1*    C  21           H1*        C  21  28.273 -14.719  -9.010
  224   1H4     C  21          1H4         C  21  32.358 -14.813  -3.766
  225   2H4     C  21          2H4         C  21  32.972 -13.568  -4.831
  226    H5     C  21           H5         C  21  30.518 -16.264  -4.352
  227    H6     C  21           H6         C  21  28.876 -16.825  -6.076
  228    H3T    C  21           H3T        C  21  27.884 -18.447 -10.883
   
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  37.629  -6.012 -10.837
    2   2H5*    G   1          2H5*        G   1  37.543  -7.240  -9.546
    3    H4*    G   1           H4*        G   1  36.953  -7.638 -12.537
    4    H3*    G   1           H3*        G   1  35.176  -7.253 -10.090
    5   1H2*    G   1          1H2*        G   1  33.613  -8.761 -10.990
    6   2HO*    G   1          2HO*        G   1  33.371  -8.211 -13.080
    7    H1*    G   1           H1*        G   1  35.426 -10.581 -12.031
    8    H8     G   1           H8         G   1  36.513  -9.524  -8.565
    9    H1     G   1           H1         G   1  31.854 -13.884  -8.415
   10   1H2     G   1          1H2         G   1  31.581 -13.266 -11.840
   11   2H2     G   1          2H2         G   1  30.998 -14.157 -10.452
   12    H5T    G   1           H5T        G   1  39.206  -8.357 -10.568
   13   1H5*    G   2          1H5*        G   2  32.397  -6.276 -13.732
   14   2H5*    G   2          2H5*        G   2  31.434  -4.910 -13.113
   15    H4*    G   2           H4*        G   2  30.165  -6.933 -14.091
   16    H3*    G   2           H3*        G   2  29.702  -5.940 -11.244
   17   1H2*    G   2          1H2*        G   2  27.991  -7.536 -10.990
   18   2HO*    G   2          2HO*        G   2  27.066  -8.623 -12.743
   19    H1*    G   2           H1*        G   2  29.250  -9.610 -12.346
   20    H8     G   2           H8         G   2  31.687  -7.864 -10.032
   21    H1     G   2           H1         G   2  27.923 -11.974  -6.922
   22   1H2     G   2          1H2         G   2  26.119 -12.110  -9.909
   23   2H2     G   2          2H2         G   2  26.280 -12.664  -8.258
   24   1H5*    C   3          1H5*        C   3  25.610  -5.135 -13.291
   25   2H5*    C   3          2H5*        C   3  24.858  -3.841 -12.335
   26    H4*    C   3           H4*        C   3  23.689  -6.193 -12.455
   27    H3*    C   3           H3*        C   3  24.203  -4.625  -9.883
   28   1H2*    C   3          1H2*        C   3  23.035  -6.306  -8.705
   29   2HO*    C   3          2HO*        C   3  22.214  -7.426 -11.201
   30    H1*    C   3           H1*        C   3  24.045  -8.470 -10.131
   31   1H4     C   3          1H4         C   3  28.344  -6.942  -5.288
   32   2H4     C   3          2H4         C   3  27.393  -8.284  -4.696
   33    H5     C   3           H5         C   3  27.918  -5.851  -7.399
   34    H6     C   3           H6         C   3  26.491  -5.812  -9.385
   35   1H5*    G   4          1H5*        G   4  19.795  -5.421 -10.550
   36   2H5*    G   4          2H5*        G   4  18.758  -4.244  -9.703
   37    H4*    G   4           H4*        G   4  18.494  -6.838  -9.278
   38    H3*    G   4           H3*        G   4  18.694  -4.713  -7.095
   39   1H2*    G   4          1H2*        G   4  18.396  -6.406  -5.476
   40   2HO*    G   4          2HO*        G   4  16.672  -7.516  -6.423
   41    H1*    G   4           H1*        G   4  19.930  -8.350  -6.716
   42    H8     G   4           H8         G   4  21.737  -5.021  -6.786
   43    H1     G   4           H1         G   4  22.305  -8.016  -1.176
   44   1H2     G   4          1H2         G   4  20.890  -9.729  -1.085
   45   2H2     G   4          2H2         G   4  19.814 -10.129  -2.404
   46   1H5*    U   5          1H5*        U   5  14.268  -6.405  -5.446
   47   2H5*    U   5          2H5*        U   5  13.819  -4.701  -5.228
   48    H4*    U   5           H4*        U   5  13.874  -6.290  -3.128
   49    H3*    U   5           H3*        U   5  15.113  -3.507  -3.306
   50   1H2*    U   5          1H2*        U   5  15.809  -3.680  -1.064
   51   2HO*    U   5          2HO*        U   5  14.978  -5.216   0.359
   52    H1*    U   5           H1*        U   5  16.533  -6.350  -1.105
   53    H3     U   5           H3         U   5  20.376  -3.971  -0.386
   54    H5     U   5           H5         U   5  19.724  -3.758  -4.545
   55    H6     U   5           H6         U   5  17.540  -4.731  -4.188
   56   1H5*    A   6          1H5*        A   6  12.938  -3.838   0.647
   57   2H5*    A   6          2H5*        A   6  11.821  -2.459   0.601
   58    H4*    A   6           H4*        A   6  12.956  -2.502   2.767
   59    H3*    A   6           H3*        A   6  13.626  -0.307   0.816
   60   1H2*    A   6          1H2*        A   6  15.398   0.501   2.025
   61   2HO*    A   6          2HO*        A   6  14.226  -0.662   4.355
   62    H1*    A   6           H1*        A   6  16.129  -1.819   3.493
   63    H8     A   6           H8         A   6  16.002  -1.319  -0.348
   64   1H6     A   6          1H6         A   6  22.136  -0.954  -0.151
   65   2H6     A   6          2H6         A   6  20.730  -0.979  -1.191
   66    H2     A   6           H2         A   6  20.636  -1.326   4.075
   67   1H5*    A   7          1H5*        A   7  12.653   4.152   3.461
   68   2H5*    A   7          2H5*        A   7  13.863   3.382   2.407
   69    H4*    A   7           H4*        A   7  13.987   3.564   5.456
   70    H3*    A   7           H3*        A   7  15.443   5.005   3.200
   71   1H2*    A   7          1H2*        A   7  17.408   5.022   4.498
   72   2HO*    A   7          2HO*        A   7  17.409   4.600   6.716
   73    H1*    A   7           H1*        A   7  17.152   2.476   5.563
   74    H8     A   7           H8         A   7  16.385   2.947   1.811
   75   1H6     A   7          1H6         A   7  22.301   1.585   0.800
   76   2H6     A   7          2H6         A   7  20.759   1.930   0.049
   77    H2     A   7           H2         A   7  21.678   1.821   5.244
   78   1H5*    G   8          1H5*        G   8  16.259   8.226   6.586
   79   2H5*    G   8          2H5*        G   8  16.523   9.631   5.519
   80    H4*    G   8           H4*        G   8  18.455   8.729   7.081
   81    H3*    G   8           H3*        G   8  18.815   9.274   4.090
   82   1H2*    G   8          1H2*        G   8  21.132   8.901   4.430
   83   2HO*    G   8          2HO*        G   8  21.438  10.040   6.359
   84    H1*    G   8           H1*        G   8  20.797   6.715   6.113
   85    H8     G   8           H8         G   8  18.443   6.679   3.105
   86    H1     G   8           H1         G   8  24.256   4.438   1.737
   87   1H2     G   8          1H2         G   8  25.116   5.582   4.923
   88   2H2     G   8          2H2         G   8  25.635   4.797   3.448
   89   1H5*    G   9          1H5*        G   9  21.435  13.119   4.978
   90   2H5*    G   9          2H5*        G   9  20.893  13.988   3.521
   91    H4*    G   9           H4*        G   9  23.419  13.289   3.818
   92    H3*    G   9           H3*        G   9  21.796  12.687   1.301
   93   1H2*    G   9          1H2*        G   9  23.856  11.993   0.326
   94   2HO*    G   9          2HO*        G   9  25.256  12.825   2.661
   95    H1*    G   9           H1*        G   9  24.717  10.572   2.538
   96    H8     G   9           H8         G   9  21.055   9.853   2.200
   97    H1     G   9           H1         G   9  24.420   6.802  -2.280
   98   1H2     G   9          1H2         G   9  27.069   8.827  -1.236
   99   2H2     G   9          2H2         G   9  26.513   7.568  -2.317
  100   1H5*    A  10          1H5*        A  10  24.239  15.863  -0.747
  101   2H5*    A  10          2H5*        A  10  23.256  16.339  -2.142
  102    H4*    A  10           H4*        A  10  25.401  14.865  -2.516
  103    H3*    A  10           H3*        A  10  22.645  14.327  -3.718
  104   1H2*    A  10          1H2*        A  10  23.539  12.474  -4.827
  105   2HO*    A  10          2HO*        A  10  25.737  12.149  -5.131
  106    H1*    A  10           H1*        A  10  25.192  11.563  -2.819
  107    H8     A  10           H8         A  10  22.163  12.007  -0.920
  108   1H6     A  10          1H6         A  10  19.348   7.539  -4.105
  109   2H6     A  10          2H6         A  10  19.282   8.527  -2.662
  110    H2     A  10           H2         A  10  23.051   8.765  -6.360
  111   1H5*    U  11          1H5*        U  11  23.816  12.389  -6.891
  112   2H5*    U  11          2H5*        U  11  24.120  13.744  -7.989
  113    H4*    U  11           H4*        U  11  22.956  12.080  -9.285
  114    H3*    U  11           H3*        U  11  21.867  14.598  -9.081
  115   1H2*    U  11          1H2*        U  11  20.345  14.156  -7.328
  116   2HO*    U  11          2HO*        U  11  18.290  13.979  -8.303
  117    H1*    U  11           H1*        U  11  19.555  11.537  -8.624
  118    H3     U  11           H3         U  11  17.052  10.179  -5.166
  119    H5     U  11           H5         U  11  19.768  12.820  -3.316
  120    H6     U  11           H6         U  11  20.825  13.148  -5.471
  121   1H5*    U  12          1H5*        U  12  23.672  11.510 -11.307
  122   2H5*    U  12          2H5*        U  12  23.657  11.247 -13.052
  123    H4*    U  12           H4*        U  12  23.161   9.358 -10.969
  124    H3*    U  12           H3*        U  12  24.076   9.342 -13.529
  125   1H2*    U  12          1H2*        U  12  22.073   9.594 -14.640
  126   2HO*    U  12          2HO*        U  12  21.364   7.608 -15.403
  127    H1*    U  12           H1*        U  12  20.486   7.815 -12.841
  128    H3     U  12           H3         U  12  17.167   9.159 -15.673
  129    H5     U  12           H5         U  12  18.503  12.724 -13.861
  130    H6     U  12           H6         U  12  20.313  11.462 -12.852
  131   1H5*    A  13          1H5*        A  13  27.275   4.888 -12.909
  132   2H5*    A  13          2H5*        A  13  25.570   4.405 -12.928
  133    H4*    A  13           H4*        A  13  27.235   5.487 -10.669
  134    H3*    A  13           H3*        A  13  26.115   3.026 -11.111
  135   1H2*    A  13          1H2*        A  13  23.847   3.705 -11.180
  136   2HO*    A  13          2HO*        A  13  23.968   2.185  -9.483
  137    H1*    A  13           H1*        A  13  24.303   5.531  -8.818
  138    H8     A  13           H8         A  13  22.311   4.896 -12.066
  139   1H6     A  13          1H6         A  13  18.299   8.968  -9.785
  140   2H6     A  13          2H6         A  13  18.544   7.730 -10.995
  141    H2     A  13           H2         A  13  22.084   9.163  -7.360
  142   1H5*    C  14          1H5*        C  14  29.401   3.388  -8.897
  143   2H5*    C  14          2H5*        C  14  30.129   2.724  -7.426
  144    H4*    C  14           H4*        C  14  30.239   5.256  -7.633
  145    H3*    C  14           H3*        C  14  28.867   3.898  -5.273
  146   1H2*    C  14          1H2*        C  14  28.479   6.012  -4.314
  147   2HO*    C  14          2HO*        C  14  30.229   7.144  -6.270
  148    H1*    C  14           H1*        C  14  27.851   7.361  -6.663
  149   1H4     C  14          1H4         C  14  22.237   4.440  -4.750
  150   2H4     C  14          2H4         C  14  22.342   5.878  -3.760
  151    H5     C  14           H5         C  14  23.995   3.754  -6.287
  152    H6     C  14           H6         C  14  26.292   4.209  -7.021
  153   1H5*    C  15          1H5*        C  15  32.633   4.833  -2.164
  154   2H5*    C  15          2H5*        C  15  32.426   3.148  -1.643
  155    H4*    C  15           H4*        C  15  32.025   5.085   0.091
  156    H3*    C  15           H3*        C  15  30.104   2.759  -0.394
  157   1H2*    C  15          1H2*        C  15  28.821   3.544   1.424
  158   2HO*    C  15          2HO*        C  15  29.586   5.087   2.877
  159    H1*    C  15           H1*        C  15  29.033   6.246   0.792
  160   1H4     C  15          1H4         C  15  24.157   3.610  -2.890
  161   2H4     C  15          2H4         C  15  23.434   3.815  -1.310
  162    H5     C  15           H5         C  15  26.491   4.016  -3.336
  163    H6     C  15           H6         C  15  28.630   4.712  -2.374
  164   1H5*    U  16          1H5*        U  16  30.746   2.432   3.908
  165   2H5*    U  16          2H5*        U  16  30.842   0.706   4.309
  166    H4*    U  16           H4*        U  16  28.987   2.186   5.443
  167    H3*    U  16           H3*        U  16  28.420  -0.498   4.087
  168   1H2*    U  16          1H2*        U  16  26.230  -0.338   4.988
  169   2HO*    U  16          2HO*        U  16  26.713   0.385   7.074
  170    H1*    U  16           H1*        U  16  25.926   2.372   4.443
  171    H3     U  16           H3         U  16  23.028  -0.314   1.967
  172    H5     U  16           H5         U  16  26.565   0.032  -0.309
  173    H6     U  16           H6         U  16  27.628   1.066   1.607
  174   1H5*    A  17          1H5*        A  17  27.270  -2.176   8.322
  175   2H5*    A  17          2H5*        A  17  27.776  -3.847   7.995
  176    H4*    A  17           H4*        A  17  25.246  -3.361   8.473
  177    H3*    A  17           H3*        A  17  26.216  -4.994   6.094
  178   1H2*    A  17          1H2*        A  17  23.924  -5.501   5.711
  179   2HO*    A  17          2HO*        A  17  23.046  -5.939   7.649
  180    H1*    A  17           H1*        A  17  22.978  -2.947   6.234
  181    H8     A  17           H8         A  17  26.076  -2.633   4.124
  182   1H6     A  17          1H6         A  17  22.665  -3.962  -0.827
  183   2H6     A  17          2H6         A  17  24.223  -3.398  -0.266
  184    H2     A  17           H2         A  17  20.168  -4.755   2.827
  185   1H5*    U  18          1H5*        U  18  23.849  -7.943   7.820
  186   2H5*    U  18          2H5*        U  18  24.533  -9.541   7.459
  187    H4*    U  18           H4*        U  18  22.309  -8.970   6.306
  188    H3*    U  18           H3*        U  18  24.807  -9.761   4.738
  189   1H2*    U  18          1H2*        U  18  23.537  -9.706   2.759
  190   2HO*    U  18          2HO*        U  18  21.701 -10.816   3.436
  191    H1*    U  18           H1*        U  18  22.030  -7.454   3.382
  192    H3     U  18           H3         U  18  24.786  -6.691  -0.275
  193    H5     U  18           H5         U  18  27.095  -5.770   3.134
  194    H6     U  18           H6         U  18  25.334  -6.705   4.515
  195   1H5*    G  19          1H5*        G  19  21.665 -13.481   3.747
  196   2H5*    G  19          2H5*        G  19  22.920 -14.698   3.398
  197    H4*    G  19           H4*        G  19  21.022 -14.169   1.640
  198    H3*    G  19           H3*        G  19  24.007 -14.261   0.988
  199   1H2*    G  19          1H2*        G  19  23.448 -13.958  -1.283
  200   2HO*    G  19          2HO*        G  19  20.694 -14.329  -0.623
  201    H1*    G  19           H1*        G  19  21.435 -12.096  -0.867
  202    H8     G  19           H8         G  19  24.452 -11.326   1.295
  203    H1     G  19           H1         G  19  25.243  -9.426  -4.745
  204   1H2     G  19          1H2         G  19  22.328 -11.242  -5.373
  205   2H2     G  19          2H2         G  19  23.606 -10.237  -6.018
  206   1H5*    C  20          1H5*        C  20  21.882 -17.331  -1.797
  207   2H5*    C  20          2H5*        C  20  23.135 -18.525  -2.193
  208    H4*    C  20           H4*        C  20  21.957 -17.270  -4.155
  209    H3*    C  20           H3*        C  20  24.996 -17.456  -3.856
  210   1H2*    C  20          1H2*        C  20  25.169 -16.422  -5.976
  211   2HO*    C  20          2HO*        C  20  22.346 -16.699  -6.314
  212    H1*    C  20           H1*        C  20  23.099 -14.600  -5.597
  213   1H4     C  20          1H4         C  20  28.624 -12.003  -2.968
  214   2H4     C  20          2H4         C  20  28.535 -11.383  -4.600
  215    H5     C  20           H5         C  20  27.084 -13.640  -2.091
  216    H6     C  20           H6         C  20  25.132 -15.029  -2.589
  217   1H5*    C  21          1H5*        C  21  23.922 -19.254  -7.819
  218   2H5*    C  21          2H5*        C  21  25.108 -20.514  -8.215
  219    H4*    C  21           H4*        C  21  24.798 -18.486  -9.857
  220    H3*    C  21           H3*        C  21  27.483 -19.536  -8.846
  221   1H2*    C  21          1H2*        C  21  28.563 -17.983 -10.252
  222   2HO*    C  21          2HO*        C  21  26.044 -17.422 -11.482
  223    H1*    C  21           H1*        C  21  26.790 -15.876  -9.837
  224   1H4     C  21          1H4         C  21  31.258 -15.750  -4.917
  225   2H4     C  21          2H4         C  21  31.864 -14.662  -6.145
  226    H5     C  21           H5         C  21  29.290 -17.118  -5.221
  227    H6     C  21           H6         C  21  27.488 -17.730  -6.762
  228    H3T    C  21           H3T        C  21  26.290 -20.916 -10.204
   
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  37.605  -2.984  -5.558
    2   2H5*    G   1          2H5*        G   1  38.783  -2.296  -6.706
    3    H4*    G   1           H4*        G   1  37.461  -3.051  -8.565
    4    H3*    G   1           H3*        G   1  35.235  -3.344  -6.504
    5   1H2*    G   1          1H2*        G   1  34.311  -5.103  -7.765
    6   2HO*    G   1          2HO*        G   1  34.314  -4.442  -9.834
    7    H1*    G   1           H1*        G   1  36.696  -6.303  -8.508
    8    H8     G   1           H8         G   1  36.642  -5.276  -4.835
    9    H1     G   1           H1         G   1  33.821 -10.904  -5.882
   10   1H2     G   1          1H2         G   1  34.128 -10.087  -9.262
   11   2H2     G   1          2H2         G   1  33.586 -11.246  -8.068
   12    H5T    G   1           H5T        G   1  37.468  -0.703  -5.716
   13   1H5*    G   2          1H5*        G   2  33.071  -2.690 -10.565
   14   2H5*    G   2          2H5*        G   2  31.512  -1.939 -10.131
   15    H4*    G   2           H4*        G   2  31.559  -4.209 -11.453
   16    H3*    G   2           H3*        G   2  29.934  -3.709  -8.920
   17   1H2*    G   2          1H2*        G   2  29.033  -5.875  -9.087
   18   2HO*    G   2          2HO*        G   2  28.524  -5.900 -11.287
   19    H1*    G   2           H1*        G   2  31.353  -7.161  -9.916
   20    H8     G   2           H8         G   2  32.103  -4.753  -7.088
   21    H1     G   2           H1         G   2  29.648 -10.261  -4.995
   22   1H2     G   2          1H2         G   2  28.991 -10.894  -8.366
   23   2H2     G   2          2H2         G   2  28.891 -11.458  -6.713
   24   1H5*    C   3          1H5*        C   3  26.398  -3.852 -12.124
   25   2H5*    C   3          2H5*        C   3  25.187  -2.780 -11.390
   26    H4*    C   3           H4*        C   3  24.541  -5.277 -11.799
   27    H3*    C   3           H3*        C   3  24.191  -3.818  -9.140
   28   1H2*    C   3          1H2*        C   3  23.170  -5.747  -8.257
   29   2HO*    C   3          2HO*        C   3  23.060  -6.802 -10.912
   30    H1*    C   3           H1*        C   3  24.842  -7.610  -9.469
   31   1H4     C   3          1H4         C   3  27.749  -5.496  -3.868
   32   2H4     C   3          2H4         C   3  26.894  -6.959  -3.442
   33    H5     C   3           H5         C   3  27.615  -4.478  -6.050
   34    H6     C   3           H6         C   3  26.634  -4.643  -8.284
   35   1H5*    G   4          1H5*        G   4  19.944  -5.259 -10.393
   36   2H5*    G   4          2H5*        G   4  18.809  -4.161  -9.563
   37    H4*    G   4           H4*        G   4  18.704  -6.766  -9.163
   38    H3*    G   4           H3*        G   4  18.752  -4.682  -6.925
   39   1H2*    G   4          1H2*        G   4  18.429  -6.457  -5.391
   40   2HO*    G   4          2HO*        G   4  16.809  -7.606  -6.459
   41    H1*    G   4           H1*        G   4  20.114  -8.264  -6.648
   42    H8     G   4           H8         G   4  21.741  -4.846  -6.450
   43    H1     G   4           H1         G   4  22.225  -8.153  -1.011
   44   1H2     G   4          1H2         G   4  20.908  -9.944  -1.092
   45   2H2     G   4          2H2         G   4  19.918 -10.317  -2.484
   46   1H5*    U   5          1H5*        U   5  14.366  -6.374  -5.351
   47   2H5*    U   5          2H5*        U   5  13.884  -4.671  -5.204
   48    H4*    U   5           H4*        U   5  13.927  -6.166  -3.046
   49    H3*    U   5           H3*        U   5  15.172  -3.393  -3.312
   50   1H2*    U   5          1H2*        U   5  15.826  -3.485  -1.052
   51   2HO*    U   5          2HO*        U   5  14.158  -5.788  -0.760
   52    H1*    U   5           H1*        U   5  16.546  -6.157  -0.985
   53    H3     U   5           H3         U   5  20.382  -3.782  -0.263
   54    H5     U   5           H5         U   5  19.807  -3.676  -4.439
   55    H6     U   5           H6         U   5  17.614  -4.634  -4.097
   56   1H5*    A   6          1H5*        A   6  12.795  -3.622   0.501
   57   2H5*    A   6          2H5*        A   6  11.777  -2.167   0.508
   58    H4*    A   6           H4*        A   6  12.946  -2.431   2.670
   59    H3*    A   6           H3*        A   6  13.605  -0.114   0.857
   60   1H2*    A   6          1H2*        A   6  15.402   0.591   2.095
   61   2HO*    A   6          2HO*        A   6  15.552   0.112   4.379
   62    H1*    A   6           H1*        A   6  16.127  -1.837   3.380
   63    H8     A   6           H8         A   6  15.951  -1.093  -0.415
   64   1H6     A   6          1H6         A   6  22.076  -0.602  -0.259
   65   2H6     A   6          2H6         A   6  20.658  -0.579  -1.281
   66    H2     A   6           H2         A   6  20.637  -1.306   3.946
   67   1H5*    A   7          1H5*        A   7  12.925   4.179   3.713
   68   2H5*    A   7          2H5*        A   7  14.080   3.330   2.658
   69    H4*    A   7           H4*        A   7  14.180   3.314   5.713
   70    H3*    A   7           H3*        A   7  15.659   4.973   3.626
   71   1H2*    A   7          1H2*        A   7  17.612   4.847   4.941
   72   2HO*    A   7          2HO*        A   7  17.583   4.171   7.102
   73    H1*    A   7           H1*        A   7  17.341   2.203   5.721
   74    H8     A   7           H8         A   7  16.577   3.023   2.036
   75   1H6     A   7          1H6         A   7  22.528   1.911   0.910
   76   2H6     A   7          2H6         A   7  20.978   2.290   0.192
   77    H2     A   7           H2         A   7  21.899   1.699   5.351
   78   1H5*    G   8          1H5*        G   8  16.380   8.059   6.873
   79   2H5*    G   8          2H5*        G   8  16.540   9.537   5.888
   80    H4*    G   8           H4*        G   8  18.620   8.522   7.169
   81    H3*    G   8           H3*        G   8  18.665   9.291   4.205
   82   1H2*    G   8          1H2*        G   8  20.997   8.880   4.267
   83   2HO*    G   8          2HO*        G   8  22.051   9.384   6.019
   84    H1*    G   8           H1*        G   8  20.826   6.584   5.819
   85    H8     G   8           H8         G   8  18.140   6.465   3.175
   86    H1     G   8           H1         G   8  23.913   5.189   0.781
   87   1H2     G   8          1H2         G   8  25.099   6.276   3.877
   88   2H2     G   8          2H2         G   8  25.482   5.653   2.289
   89   1H5*    G   9          1H5*        G   9  21.964  11.759   5.962
   90   2H5*    G   9          2H5*        G   9  22.167  13.183   4.913
   91    H4*    G   9           H4*        G   9  24.138  11.460   5.255
   92    H3*    G   9           H3*        G   9  23.181  12.402   2.510
   93   1H2*    G   9          1H2*        G   9  25.086  11.277   1.627
   94   2HO*    G   9          2HO*        G   9  26.731  10.480   2.944
   95    H1*    G   9           H1*        G   9  24.790   9.011   3.190
   96    H8     G   9           H8         G   9  21.333   9.930   2.109
   97    H1     G   9           H1         G   9  24.642   7.402  -2.728
   98   1H2     G   9          1H2         G   9  27.417   7.831  -0.650
   99   2H2     G   9          2H2         G   9  26.803   7.292  -2.197
  100   1H5*    A  10          1H5*        A  10  27.005  14.742   2.345
  101   2H5*    A  10          2H5*        A  10  26.726  16.007   1.136
  102    H4*    A  10           H4*        A  10  28.266  13.963   0.533
  103    H3*    A  10           H3*        A  10  26.012  15.067  -1.208
  104   1H2*    A  10          1H2*        A  10  26.531  13.467  -2.826
  105   2HO*    A  10          2HO*        A  10  28.954  12.919  -1.419
  106    H1*    A  10           H1*        A  10  27.082  11.352  -1.151
  107    H8     A  10           H8         A  10  23.948  12.331   0.274
  108   1H6     A  10          1H6         A  10  20.936  10.883  -4.908
  109   2H6     A  10          2H6         A  10  20.763  11.224  -3.200
  110    H2     A  10           H2         A  10  25.329  11.179  -5.859
  111   1H5*    U  11          1H5*        U  11  27.296  13.974  -4.661
  112   2H5*    U  11          2H5*        U  11  28.442  15.282  -4.984
  113    H4*    U  11           H4*        U  11  27.304  14.898  -7.056
  114    H3*    U  11           H3*        U  11  27.150  17.407  -5.941
  115   1H2*    U  11          1H2*        U  11  25.059  17.173  -4.872
  116   2HO*    U  11          2HO*        U  11  24.818  18.947  -6.270
  117    H1*    U  11           H1*        U  11  23.921  15.787  -7.312
  118    H3     U  11           H3         U  11  20.047  14.821  -5.277
  119    H5     U  11           H5         U  11  22.771  14.809  -2.060
  120    H6     U  11           H6         U  11  24.539  15.335  -3.632
  121   1H5*    U  12          1H5*        U  12  28.468  14.762  -8.937
  122   2H5*    U  12          2H5*        U  12  28.962  15.074 -10.603
  123    H4*    U  12           H4*        U  12  27.110  13.124  -9.636
  124    H3*    U  12           H3*        U  12  28.789  13.424 -11.760
  125   1H2*    U  12          1H2*        U  12  27.548  14.922 -12.999
  126   2HO*    U  12          2HO*        U  12  26.567  13.859 -14.666
  127    H1*    U  12           H1*        U  12  24.894  13.678 -12.434
  128    H3     U  12           H3         U  12  23.541  17.214 -14.987
  129    H5     U  12           H5         U  12  25.374  18.989 -11.628
  130    H6     U  12           H6         U  12  26.101  16.780 -10.936
  131   1H5*    A  13          1H5*        A  13  29.692   8.044 -12.418
  132   2H5*    A  13          2H5*        A  13  28.063   8.437 -12.997
  133    H4*    A  13           H4*        A  13  29.036   7.941 -10.195
  134    H3*    A  13           H3*        A  13  27.368   6.516 -11.838
  135   1H2*    A  13          1H2*        A  13  25.684   8.163 -12.105
  136   2HO*    A  13          2HO*        A  13  23.960   7.542 -10.750
  137    H1*    A  13           H1*        A  13  25.850   8.816  -9.158
  138    H8     A  13           H8         A  13  25.126  10.143 -12.708
  139   1H6     A  13          1H6         A  13  22.221  14.747  -9.833
  140   2H6     A  13          2H6         A  13  22.459  13.948 -11.372
  141    H2     A  13           H2         A  13  24.635  12.457  -6.807
  142   1H5*    C  14          1H5*        C  14  29.963   5.285  -9.419
  143   2H5*    C  14          2H5*        C  14  30.270   3.937  -8.316
  144    H4*    C  14           H4*        C  14  31.055   6.124  -7.395
  145    H3*    C  14           H3*        C  14  28.809   4.619  -5.990
  146   1H2*    C  14          1H2*        C  14  28.773   6.262  -4.308
  147   2HO*    C  14          2HO*        C  14  30.993   6.454  -3.939
  148    H1*    C  14           H1*        C  14  29.148   8.472  -5.951
  149   1H4     C  14          1H4         C  14  22.670   7.205  -6.252
  150   2H4     C  14          2H4         C  14  22.875   8.000  -4.706
  151    H5     C  14           H5         C  14  24.536   6.610  -7.698
  152    H6     C  14           H6         C  14  26.982   6.461  -7.835
  153   1H5*    C  15          1H5*        C  15  32.381   3.984  -3.031
  154   2H5*    C  15          2H5*        C  15  32.252   2.297  -2.489
  155    H4*    C  15           H4*        C  15  32.225   4.060  -0.632
  156    H3*    C  15           H3*        C  15  29.953   2.063  -1.017
  157   1H2*    C  15          1H2*        C  15  28.884   2.925   0.886
  158   2HO*    C  15          2HO*        C  15  31.309   4.316   1.483
  159    H1*    C  15           H1*        C  15  29.465   5.611   0.451
  160   1H4     C  15          1H4         C  15  24.042   4.268  -3.128
  161   2H4     C  15          2H4         C  15  23.445   4.358  -1.485
  162    H5     C  15           H5         C  15  26.392   4.337  -3.686
  163    H6     C  15           H6         C  15  28.664   4.526  -2.790
  164   1H5*    U  16          1H5*        U  16  31.095   1.604   3.139
  165   2H5*    U  16          2H5*        U  16  31.003  -0.097   3.640
  166    H4*    U  16           H4*        U  16  29.520   1.697   4.880
  167    H3*    U  16           H3*        U  16  28.490  -0.976   3.805
  168   1H2*    U  16          1H2*        U  16  26.408  -0.494   4.832
  169   2HO*    U  16          2HO*        U  16  27.088   0.295   6.821
  170    H1*    U  16           H1*        U  16  26.348   2.186   4.115
  171    H3     U  16           H3         U  16  23.040  -0.261   1.944
  172    H5     U  16           H5         U  16  26.486  -0.563  -0.470
  173    H6     U  16           H6         U  16  27.756   0.470   1.313
  174   1H5*    A  17          1H5*        A  17  27.484  -2.365   8.233
  175   2H5*    A  17          2H5*        A  17  27.933  -4.052   7.901
  176    H4*    A  17           H4*        A  17  25.448  -3.503   8.528
  177    H3*    A  17           H3*        A  17  26.279  -5.207   6.148
  178   1H2*    A  17          1H2*        A  17  23.978  -5.647   5.795
  179   2HO*    A  17          2HO*        A  17  22.400  -5.174   7.340
  180    H1*    A  17           H1*        A  17  23.074  -3.083   6.328
  181    H8     A  17           H8         A  17  26.154  -2.833   4.175
  182   1H6     A  17          1H6         A  17  22.636  -4.025  -0.735
  183   2H6     A  17          2H6         A  17  24.217  -3.506  -0.190
  184    H2     A  17           H2         A  17  20.173  -4.785   2.948
  185   1H5*    U  18          1H5*        U  18  23.799  -7.970   7.957
  186   2H5*    U  18          2H5*        U  18  24.412  -9.615   7.691
  187    H4*    U  18           H4*        U  18  22.226  -9.071   6.502
  188    H3*    U  18           H3*        U  18  24.713  -9.917   4.950
  189   1H2*    U  18          1H2*        U  18  23.458  -9.884   2.964
  190   2HO*    U  18          2HO*        U  18  21.091  -9.615   4.540
  191    H1*    U  18           H1*        U  18  21.963  -7.610   3.530
  192    H3     U  18           H3         U  18  24.730  -6.866  -0.106
  193    H5     U  18           H5         U  18  27.069  -6.027   3.300
  194    H6     U  18           H6         U  18  25.295  -6.936   4.675
  195   1H5*    G  19          1H5*        G  19  21.948 -13.956   3.826
  196   2H5*    G  19          2H5*        G  19  23.420 -14.933   3.584
  197    H4*    G  19           H4*        G  19  21.652 -14.639   1.641
  198    H3*    G  19           H3*        G  19  24.662 -14.211   1.313
  199   1H2*    G  19          1H2*        G  19  24.286 -13.922  -1.002
  200   2HO*    G  19          2HO*        G  19  22.861 -15.606  -1.418
  201    H1*    G  19           H1*        G  19  21.971 -12.417  -0.747
  202    H8     G  19           H8         G  19  24.703 -11.406   1.715
  203    H1     G  19           H1         G  19  25.518  -8.835  -4.063
  204   1H2     G  19          1H2         G  19  22.920 -10.947  -5.043
  205   2H2     G  19          2H2         G  19  24.078  -9.719  -5.507
  206   1H5*    C  20          1H5*        C  20  23.970 -17.472  -1.928
  207   2H5*    C  20          2H5*        C  20  25.562 -18.255  -1.943
  208    H4*    C  20           H4*        C  20  24.683 -17.100  -4.133
  209    H3*    C  20           H3*        C  20  27.468 -16.618  -2.957
  210   1H2*    C  20          1H2*        C  20  27.949 -15.413  -4.942
  211   2HO*    C  20          2HO*        C  20  25.459 -16.264  -6.046
  212    H1*    C  20           H1*        C  20  25.477 -14.142  -5.099
  213   1H4     C  20          1H4         C  20  29.350 -10.613  -1.006
  214   2H4     C  20          2H4         C  20  29.660  -9.973  -2.603
  215    H5     C  20           H5         C  20  27.954 -12.540  -0.604
  216    H6     C  20           H6         C  20  26.557 -14.258  -1.645
  217   1H5*    C  21          1H5*        C  21  27.879 -18.335  -7.113
  218   2H5*    C  21          2H5*        C  21  29.411 -19.223  -7.229
  219    H4*    C  21           H4*        C  21  28.948 -17.246  -8.896
  220    H3*    C  21           H3*        C  21  31.525 -17.625  -7.297
  221   1H2*    C  21          1H2*        C  21  32.435 -15.770  -8.436
  222   2HO*    C  21          2HO*        C  21  30.181 -15.801 -10.195
  223    H1*    C  21           H1*        C  21  30.118 -14.224  -8.434
  224   1H4     C  21          1H4         C  21  33.225 -13.203  -2.649
  225   2H4     C  21          2H4         C  21  33.763 -11.926  -3.715
  226    H5     C  21           H5         C  21  31.813 -15.024  -3.375
  227    H6     C  21           H6         C  21  30.616 -16.002  -5.273
  228    H3T    C  21           H3T        C  21  32.197 -18.438  -9.314
   
  Start of MODEL   11
    1   1H5*    G   1          1H5*        G   1  37.691  -9.406  -7.261
    2   2H5*    G   1          2H5*        G   1  38.717  -9.349  -8.717
    3    H4*    G   1           H4*        G   1  36.817  -9.859 -10.108
    4    H3*    G   1           H3*        G   1  35.176  -9.093  -7.657
    5   1H2*    G   1          1H2*        G   1  33.498 -10.603  -8.318
    6   2HO*    G   1          2HO*        G   1  33.371 -11.459 -10.395
    7    H1*    G   1           H1*        G   1  35.164 -12.626  -9.217
    8    H8     G   1           H8         G   1  36.344 -11.152  -5.910
    9    H1     G   1           H1         G   1  31.730 -15.500  -5.169
   10   1H2     G   1          1H2         G   1  31.426 -15.322  -8.642
   11   2H2     G   1          2H2         G   1  30.864 -16.038  -7.147
   12    H5T    G   1           H5T        G   1  36.870  -7.449  -7.742
   13   1H5*    G   2          1H5*        G   2  32.501  -8.577 -11.353
   14   2H5*    G   2          2H5*        G   2  31.348  -7.272 -10.968
   15    H4*    G   2           H4*        G   2  30.446  -9.620 -11.680
   16    H3*    G   2           H3*        G   2  29.576  -8.152  -9.152
   17   1H2*    G   2          1H2*        G   2  28.049  -9.884  -8.692
   18   2HO*    G   2          2HO*        G   2  28.523 -10.877 -11.333
   19    H1*    G   2           H1*        G   2  29.667 -12.000  -9.486
   20    H8     G   2           H8         G   2  31.631  -9.513  -7.407
   21    H1     G   2           H1         G   2  28.093 -13.422  -3.810
   22   1H2     G   2          1H2         G   2  26.642 -14.393  -6.835
   23   2H2     G   2          2H2         G   2  26.695 -14.584  -5.096
   24   1H5*    C   3          1H5*        C   3  25.741  -8.395 -11.724
   25   2H5*    C   3          2H5*        C   3  24.700  -7.043 -11.232
   26    H4*    C   3           H4*        C   3  23.839  -9.510 -10.911
   27    H3*    C   3           H3*        C   3  23.748  -7.330  -8.772
   28   1H2*    C   3          1H2*        C   3  22.580  -8.835  -7.380
   29   2HO*    C   3          2HO*        C   3  21.075  -9.791  -8.621
   30    H1*    C   3           H1*        C   3  24.058 -11.096  -8.041
   31   1H4     C   3          1H4         C   3  27.312  -7.775  -3.281
   32   2H4     C   3          2H4         C   3  26.313  -8.943  -2.448
   33    H5     C   3           H5         C   3  27.227  -7.429  -5.668
   34    H6     C   3           H6         C   3  26.169  -8.129  -7.760
   35   1H5*    G   4          1H5*        G   4  19.325  -8.551  -9.419
   36   2H5*    G   4          2H5*        G   4  18.369  -7.135  -8.907
   37    H4*    G   4           H4*        G   4  18.036  -9.482  -7.749
   38    H3*    G   4           H3*        G   4  18.455  -6.862  -6.226
   39   1H2*    G   4          1H2*        G   4  18.059  -8.073  -4.232
   40   2HO*    G   4          2HO*        G   4  17.265 -10.327  -5.794
   41    H1*    G   4           H1*        G   4  19.459 -10.348  -4.969
   42    H8     G   4           H8         G   4  21.449  -7.238  -5.825
   43    H1     G   4           H1         G   4  21.922  -8.865   0.329
   44   1H2     G   4          1H2         G   4  20.428 -10.441   0.815
   45   2H2     G   4          2H2         G   4  19.323 -11.084  -0.379
   46   1H5*    U   5          1H5*        U   5  14.016  -7.632  -4.083
   47   2H5*    U   5          2H5*        U   5  13.692  -5.915  -4.394
   48    H4*    U   5           H4*        U   5  13.724  -6.781  -1.908
   49    H3*    U   5           H3*        U   5  15.140  -4.294  -2.962
   50   1H2*    U   5          1H2*        U   5  15.909  -3.812  -0.792
   51   2HO*    U   5          2HO*        U   5  14.113  -5.809   0.189
   52    H1*    U   5           H1*        U   5  16.447  -6.411  -0.007
   53    H3     U   5           H3         U   5  20.449  -4.182  -0.114
   54    H5     U   5           H5         U   5  19.713  -5.334  -4.105
   55    H6     U   5           H6         U   5  17.476  -5.969  -3.441
   56   1H5*    A   6          1H5*        A   6  12.570  -3.648   0.643
   57   2H5*    A   6          2H5*        A   6  11.690  -2.111   0.528
   58    H4*    A   6           H4*        A   6  12.799  -2.415   2.749
   59    H3*    A   6           H3*        A   6  13.489  -0.157   0.890
   60   1H2*    A   6          1H2*        A   6  15.346   0.524   2.035
   61   2HO*    A   6          2HO*        A   6  15.541   0.197   4.327
   62    H1*    A   6           H1*        A   6  16.033  -1.855   3.428
   63    H8     A   6           H8         A   6  15.802  -1.328  -0.390
   64   1H6     A   6          1H6         A   6  21.936  -0.938  -0.379
   65   2H6     A   6          2H6         A   6  20.500  -0.959  -1.375
   66    H2     A   6           H2         A   6  20.563  -1.333   3.888
   67   1H5*    A   7          1H5*        A   7  12.789   4.209   3.807
   68   2H5*    A   7          2H5*        A   7  13.911   3.491   2.627
   69    H4*    A   7           H4*        A   7  14.243   3.480   5.667
   70    H3*    A   7           H3*        A   7  15.575   5.032   3.406
   71   1H2*    A   7          1H2*        A   7  17.624   4.933   4.564
   72   2HO*    A   7          2HO*        A   7  17.768   4.389   6.747
   73    H1*    A   7           H1*        A   7  17.384   2.332   5.494
   74    H8     A   7           H8         A   7  16.357   2.947   1.838
   75   1H6     A   7          1H6         A   7  22.200   1.701   0.344
   76   2H6     A   7          2H6         A   7  20.603   2.046  -0.279
   77    H2     A   7           H2         A   7  21.908   1.797   4.826
   78   1H5*    G   8          1H5*        G   8  16.456   8.144   6.888
   79   2H5*    G   8          2H5*        G   8  16.722   9.596   5.887
   80    H4*    G   8           H4*        G   8  18.672   8.582   7.359
   81    H3*    G   8           H3*        G   8  18.954   9.301   4.399
   82   1H2*    G   8          1H2*        G   8  21.268   8.836   4.610
   83   2HO*    G   8          2HO*        G   8  20.928   8.505   7.423
   84    H1*    G   8           H1*        G   8  20.953   6.541   6.122
   85    H8     G   8           H8         G   8  18.373   6.777   3.325
   86    H1     G   8           H1         G   8  24.015   4.622   1.280
   87   1H2     G   8          1H2         G   8  25.160   5.483   4.461
   88   2H2     G   8          2H2         G   8  25.540   4.822   2.887
   89   1H5*    G   9          1H5*        G   9  22.138  12.193   5.865
   90   2H5*    G   9          2H5*        G   9  22.069  13.470   4.627
   91    H4*    G   9           H4*        G   9  24.244  12.012   4.949
   92    H3*    G   9           H3*        G   9  22.896  12.483   2.250
   93   1H2*    G   9          1H2*        G   9  24.787  11.414   1.270
   94   2HO*    G   9          2HO*        G   9  26.019  11.237   3.831
   95    H1*    G   9           H1*        G   9  24.877   9.336   3.081
   96    H8     G   9           H8         G   9  21.238   9.925   2.438
   97    H1     G   9           H1         G   9  23.998   7.008  -2.518
   98   1H2     G   9          1H2         G   9  27.004   7.847  -0.946
   99   2H2     G   9          2H2         G   9  26.215   7.089  -2.313
  100   1H5*    A  10          1H5*        A  10  26.460  15.109   1.412
  101   2H5*    A  10          2H5*        A  10  25.964  16.176   0.086
  102    H4*    A  10           H4*        A  10  27.652  14.220  -0.397
  103    H3*    A  10           H3*        A  10  25.173  14.877  -2.057
  104   1H2*    A  10          1H2*        A  10  25.745  13.139  -3.508
  105   2HO*    A  10          2HO*        A  10  27.924  13.530  -3.825
  106    H1*    A  10           H1*        A  10  26.623  11.319  -1.644
  107    H8     A  10           H8         A  10  23.554  12.041  -0.053
  108   1H6     A  10          1H6         A  10  20.270   9.966  -4.840
  109   2H6     A  10          2H6         A  10  20.217  10.380  -3.141
  110    H2     A  10           H2         A  10  24.486  10.716  -6.238
  111   1H5*    U  11          1H5*        U  11  25.849  13.454  -5.416
  112   2H5*    U  11          2H5*        U  11  27.045  14.635  -5.956
  113    H4*    U  11           H4*        U  11  25.757  14.232  -7.903
  114    H3*    U  11           H3*        U  11  25.637  16.781  -6.862
  115   1H2*    U  11          1H2*        U  11  23.626  16.631  -5.697
  116   2HO*    U  11          2HO*        U  11  22.768  17.183  -8.375
  117    H1*    U  11           H1*        U  11  22.314  15.033  -7.906
  118    H3     U  11           H3         U  11  18.678  14.401  -5.362
  119    H5     U  11           H5         U  11  21.803  14.127  -2.546
  120    H6     U  11           H6         U  11  23.376  14.573  -4.336
  121   1H5*    U  12          1H5*        U  12  27.140  14.127 -11.727
  122   2H5*    U  12          2H5*        U  12  25.707  15.162 -11.732
  123    H4*    U  12           H4*        U  12  25.657  12.524 -10.248
  124    H3*    U  12           H3*        U  12  26.273  12.597 -12.888
  125   1H2*    U  12          1H2*        U  12  24.503  13.820 -13.714
  126   2HO*    U  12          2HO*        U  12  24.131  12.003 -14.872
  127    H1*    U  12           H1*        U  12  22.454  12.545 -11.963
  128    H3     U  12           H3         U  12  19.790  15.568 -14.082
  129    H5     U  12           H5         U  12  22.646  17.933 -12.075
  130    H6     U  12           H6         U  12  23.828  15.898 -11.493
  131   1H5*    A  13          1H5*        A  13  27.432   7.173 -12.957
  132   2H5*    A  13          2H5*        A  13  25.706   7.415 -13.281
  133    H4*    A  13           H4*        A  13  27.170   7.294 -10.653
  134    H3*    A  13           H3*        A  13  25.381   5.590 -11.842
  135   1H2*    A  13          1H2*        A  13  23.541   7.070 -11.958
  136   2HO*    A  13          2HO*        A  13  22.132   6.484 -10.268
  137    H1*    A  13           H1*        A  13  24.147   8.054  -9.163
  138    H8     A  13           H8         A  13  22.739   8.950 -12.647
  139   1H6     A  13          1H6         A  13  19.844  13.523  -9.703
  140   2H6     A  13          2H6         A  13  19.916  12.603 -11.190
  141    H2     A  13           H2         A  13  22.945  11.770  -6.954
  142   1H5*    C  14          1H5*        C  14  28.428   4.848  -9.818
  143   2H5*    C  14          2H5*        C  14  29.065   3.628  -8.706
  144    H4*    C  14           H4*        C  14  29.755   5.936  -8.063
  145    H3*    C  14           H3*        C  14  27.923   4.355  -6.213
  146   1H2*    C  14          1H2*        C  14  27.984   6.120  -4.658
  147   2HO*    C  14          2HO*        C  14  30.201   6.546  -4.668
  148    H1*    C  14           H1*        C  14  27.863   8.214  -6.481
  149   1H4     C  14          1H4         C  14  21.577   6.362  -5.696
  150   2H4     C  14          2H4         C  14  21.930   7.271  -4.244
  151    H5     C  14           H5         C  14  23.256   5.827  -7.370
  152    H6     C  14           H6         C  14  25.657   5.890  -7.878
  153   1H5*    C  15          1H5*        C  15  31.806   4.193  -3.612
  154   2H5*    C  15          2H5*        C  15  31.799   2.525  -3.001
  155    H4*    C  15           H4*        C  15  31.746   4.400  -1.231
  156    H3*    C  15           H3*        C  15  29.658   2.181  -1.375
  157   1H2*    C  15          1H2*        C  15  28.630   3.035   0.556
  158   2HO*    C  15          2HO*        C  15  29.641   4.538   1.915
  159    H1*    C  15           H1*        C  15  28.916   5.737  -0.048
  160   1H4     C  15          1H4         C  15  23.463   3.623  -3.193
  161   2H4     C  15          2H4         C  15  22.954   3.771  -1.526
  162    H5     C  15           H5         C  15  25.754   3.893  -3.902
  163    H6     C  15           H6         C  15  28.040   4.372  -3.171
  164   1H5*    U  16          1H5*        U  16  30.907   2.046   2.689
  165   2H5*    U  16          2H5*        U  16  30.986   0.379   3.296
  166    H4*    U  16           H4*        U  16  29.321   2.086   4.422
  167    H3*    U  16           H3*        U  16  28.550  -0.732   3.510
  168   1H2*    U  16          1H2*        U  16  26.450  -0.379   4.557
  169   2HO*    U  16          2HO*        U  16  26.075   1.340   5.964
  170    H1*    U  16           H1*        U  16  26.156   2.246   3.698
  171    H3     U  16           H3         U  16  22.952  -0.497   1.774
  172    H5     U  16           H5         U  16  26.365  -0.827  -0.685
  173    H6     U  16           H6         U  16  27.615   0.408   0.982
  174   1H5*    A  17          1H5*        A  17  27.446  -1.259   7.823
  175   2H5*    A  17          2H5*        A  17  27.969  -2.925   8.145
  176    H4*    A  17           H4*        A  17  25.485  -2.488   8.486
  177    H3*    A  17           H3*        A  17  26.417  -4.572   6.476
  178   1H2*    A  17          1H2*        A  17  24.139  -5.167   6.209
  179   2HO*    A  17          2HO*        A  17  22.535  -4.511   7.640
  180    H1*    A  17           H1*        A  17  23.124  -2.590   6.252
  181    H8     A  17           H8         A  17  26.249  -2.772   4.106
  182   1H6     A  17          1H6         A  17  22.696  -4.716  -0.535
  183   2H6     A  17          2H6         A  17  24.295  -4.168  -0.081
  184    H2     A  17           H2         A  17  20.197  -4.690   3.205
  185   1H5*    U  18          1H5*        U  18  24.046  -6.925   8.957
  186   2H5*    U  18          2H5*        U  18  24.665  -8.585   9.070
  187    H4*    U  18           H4*        U  18  22.428  -8.373   7.890
  188    H3*    U  18           H3*        U  18  24.866  -9.503   6.444
  189   1H2*    U  18          1H2*        U  18  23.526  -9.939   4.564
  190   2HO*    U  18          2HO*        U  18  21.751 -10.874   5.635
  191    H1*    U  18           H1*        U  18  21.985  -7.629   4.681
  192    H3     U  18           H3         U  18  24.529  -7.608   0.824
  193    H5     U  18           H5         U  18  27.042  -6.072   3.841
  194    H6     U  18           H6         U  18  25.366  -6.690   5.477
  195   1H5*    G  19          1H5*        G  19  21.789 -13.319   6.648
  196   2H5*    G  19          2H5*        G  19  22.975 -14.637   6.442
  197    H4*    G  19           H4*        G  19  20.936 -14.376   4.782
  198    H3*    G  19           H3*        G  19  23.846 -14.754   3.947
  199   1H2*    G  19          1H2*        G  19  23.165 -14.814   1.697
  200   2HO*    G  19          2HO*        G  19  20.462 -15.001   2.607
  201    H1*    G  19           H1*        G  19  21.254 -12.813   1.860
  202    H8     G  19           H8         G  19  24.445 -11.906   3.720
  203    H1     G  19           H1         G  19  24.920 -10.924  -2.563
  204   1H2     G  19          1H2         G  19  21.873 -12.611  -2.756
  205   2H2     G  19          2H2         G  19  23.161 -11.792  -3.610
  206   1H5*    C  20          1H5*        C  20  21.748 -18.112   1.723
  207   2H5*    C  20          2H5*        C  20  22.969 -19.396   1.600
  208    H4*    C  20           H4*        C  20  22.007 -18.414  -0.609
  209    H3*    C  20           H3*        C  20  25.015 -18.571  -0.053
  210   1H2*    C  20          1H2*        C  20  25.325 -17.914  -2.312
  211   2HO*    C  20          2HO*        C  20  23.635 -17.910  -3.814
  212    H1*    C  20           H1*        C  20  23.279 -16.026  -2.336
  213   1H4     C  20          1H4         C  20  28.713 -13.110   0.147
  214   2H4     C  20          2H4         C  20  28.782 -12.837  -1.578
  215    H5     C  20           H5         C  20  27.037 -14.492   1.198
  216    H6     C  20           H6         C  20  25.072 -15.902   0.821
  217   1H5*    C  21          1H5*        C  21  24.024 -21.038  -3.705
  218   2H5*    C  21          2H5*        C  21  25.225 -22.334  -3.883
  219    H4*    C  21           H4*        C  21  24.891 -20.621  -5.847
  220    H3*    C  21           H3*        C  21  27.590 -21.447  -4.676
  221   1H2*    C  21          1H2*        C  21  28.646 -20.145  -6.337
  222   2HO*    C  21          2HO*        C  21  27.534 -19.365  -8.155
  223    H1*    C  21           H1*        C  21  26.845 -18.022  -6.280
  224   1H4     C  21          1H4         C  21  31.338 -17.019  -1.482
  225   2H4     C  21          2H4         C  21  31.908 -16.120  -2.871
  226    H5     C  21           H5         C  21  29.402 -18.458  -1.545
  227    H6     C  21           H6         C  21  27.602 -19.343  -2.946
  228    H3T    C  21           H3T        C  21  26.385 -23.047  -5.776
   
  Start of MODEL   12
    1   1H5*    G   1          1H5*        G   1  36.712  -6.574  -8.552
    2   2H5*    G   1          2H5*        G   1  36.885  -7.251  -6.911
    3    H4*    G   1           H4*        G   1  36.740  -8.813  -9.554
    4    H3*    G   1           H3*        G   1  34.687  -8.189  -7.388
    5   1H2*    G   1          1H2*        G   1  33.746 -10.324  -7.670
    6   2HO*    G   1          2HO*        G   1  35.315 -10.594 -10.045
    7    H1*    G   1           H1*        G   1  36.118 -11.721  -8.014
    8    H8     G   1           H8         G   1  36.331  -9.190  -5.176
    9    H1     G   1           H1         G   1  33.565 -14.664  -3.403
   10   1H2     G   1          1H2         G   1  33.581 -15.418  -6.812
   11   2H2     G   1          2H2         G   1  33.164 -15.928  -5.192
   12    H5T    G   1           H5T        G   1  38.901  -8.032  -7.488
   13   1H5*    G   2          1H5*        G   2  32.352  -9.550 -11.138
   14   2H5*    G   2          2H5*        G   2  30.888  -8.531 -11.161
   15    H4*    G   2           H4*        G   2  30.562 -11.077 -11.334
   16    H3*    G   2           H3*        G   2  29.291  -9.450  -9.086
   17   1H2*    G   2          1H2*        G   2  28.193 -11.395  -8.341
   18   2HO*    G   2          2HO*        G   2  28.007 -13.251  -9.603
   19    H1*    G   2           H1*        G   2  30.303 -13.154  -8.764
   20    H8     G   2           H8         G   2  31.492  -9.928  -7.153
   21    H1     G   2           H1         G   2  28.951 -13.976  -2.923
   22   1H2     G   2          1H2         G   2  27.925 -15.782  -5.732
   23   2H2     G   2          2H2         G   2  27.960 -15.664  -3.988
   24   1H5*    C   3          1H5*        C   3  25.186 -10.158 -11.586
   25   2H5*    C   3          2H5*        C   3  24.373  -8.657 -11.092
   26    H4*    C   3           H4*        C   3  23.283 -10.966 -10.473
   27    H3*    C   3           H3*        C   3  23.711  -8.664  -8.508
   28   1H2*    C   3          1H2*        C   3  22.545  -9.934  -6.891
   29   2HO*    C   3          2HO*        C   3  20.808 -10.675  -8.084
   30    H1*    C   3           H1*        C   3  23.654 -12.396  -7.562
   31   1H4     C   3          1H4         C   3  27.819  -9.314  -3.388
   32   2H4     C   3          2H4         C   3  26.833 -10.365  -2.398
   33    H5     C   3           H5         C   3  27.458  -9.010  -5.756
   34    H6     C   3           H6         C   3  26.077  -9.645  -7.674
   35   1H5*    G   4          1H5*        G   4  19.179  -9.378  -8.959
   36   2H5*    G   4          2H5*        G   4  18.306  -7.882  -8.534
   37    H4*    G   4           H4*        G   4  17.815 -10.146  -7.265
   38    H3*    G   4           H3*        G   4  18.343  -7.459  -5.911
   39   1H2*    G   4          1H2*        G   4  17.942  -8.488  -3.824
   40   2HO*    G   4          2HO*        G   4  16.077  -9.651  -4.327
   41    H1*    G   4           H1*        G   4  19.219 -10.883  -4.378
   42    H8     G   4           H8         G   4  21.310  -7.941  -5.547
   43    H1     G   4           H1         G   4  21.860  -9.037   0.717
   44   1H2     G   4          1H2         G   4  20.327 -10.511   1.368
   45   2H2     G   4          2H2         G   4  19.177 -11.216   0.257
   46   1H5*    U   5          1H5*        U   5  13.924  -7.951  -3.645
   47   2H5*    U   5          2H5*        U   5  13.635  -6.257  -4.089
   48    H4*    U   5           H4*        U   5  13.679  -6.922  -1.544
   49    H3*    U   5           H3*        U   5  15.142  -4.562  -2.804
   50   1H2*    U   5          1H2*        U   5  15.946  -3.930  -0.688
   51   2HO*    U   5          2HO*        U   5  15.085  -4.772   1.243
   52    H1*    U   5           H1*        U   5  16.431  -6.471   0.296
   53    H3     U   5           H3         U   5  20.477  -4.340  -0.037
   54    H5     U   5           H5         U   5  19.683  -5.839  -3.899
   55    H6     U   5           H6         U   5  17.437  -6.356  -3.165
   56   1H5*    A   6          1H5*        A   6  12.503  -3.628   0.703
   57   2H5*    A   6          2H5*        A   6  11.694  -2.057   0.533
   58    H4*    A   6           H4*        A   6  12.777  -2.404   2.785
   59    H3*    A   6           H3*        A   6  13.408  -0.136   0.937
   60   1H2*    A   6          1H2*        A   6  15.334   0.522   1.959
   61   2HO*    A   6          2HO*        A   6  15.610   0.254   4.270
   62    H1*    A   6           H1*        A   6  16.017  -1.813   3.451
   63    H8     A   6           H8         A   6  15.798  -1.419  -0.383
   64   1H6     A   6          1H6         A   6  21.930  -1.038  -0.374
   65   2H6     A   6          2H6         A   6  20.495  -1.094  -1.370
   66    H2     A   6           H2         A   6  20.550  -1.268   3.903
   67   1H5*    A   7          1H5*        A   7  12.769   4.186   3.976
   68   2H5*    A   7          2H5*        A   7  13.852   3.523   2.730
   69    H4*    A   7           H4*        A   7  14.317   3.462   5.751
   70    H3*    A   7           H3*        A   7  15.537   5.046   3.450
   71   1H2*    A   7          1H2*        A   7  17.639   4.942   4.509
   72   2HO*    A   7          2HO*        A   7  17.059   5.476   6.610
   73    H1*    A   7           H1*        A   7  17.457   2.332   5.424
   74    H8     A   7           H8         A   7  16.260   2.996   1.826
   75   1H6     A   7          1H6         A   7  22.023   1.753   0.046
   76   2H6     A   7          2H6         A   7  20.401   2.119  -0.498
   77    H2     A   7           H2         A   7  21.931   1.769   4.539
   78   1H5*    G   8          1H5*        G   8  16.603   7.806   7.137
   79   2H5*    G   8          2H5*        G   8  16.901   9.368   6.328
   80    H4*    G   8           H4*        G   8  18.829   8.135   7.653
   81    H3*    G   8           H3*        G   8  19.090   9.259   4.825
   82   1H2*    G   8          1H2*        G   8  21.367   8.653   4.841
   83   2HO*    G   8          2HO*        G   8  22.475   8.117   6.723
   84    H1*    G   8           H1*        G   8  21.055   6.216   6.127
   85    H8     G   8           H8         G   8  18.433   6.860   3.425
   86    H1     G   8           H1         G   8  23.915   4.604   1.074
   87   1H2     G   8          1H2         G   8  25.149   5.092   4.302
   88   2H2     G   8          2H2         G   8  25.470   4.565   2.665
   89   1H5*    G   9          1H5*        G   9  22.555  11.323   6.766
   90   2H5*    G   9          2H5*        G   9  22.739  12.843   5.853
   91    H4*    G   9           H4*        G   9  24.650  11.018   5.845
   92    H3*    G   9           H3*        G   9  23.519  12.290   3.307
   93   1H2*    G   9          1H2*        G   9  25.260  11.182   2.135
   94   2HO*    G   9          2HO*        G   9  26.389  10.337   4.609
   95    H1*    G   9           H1*        G   9  25.044   8.788   3.525
   96    H8     G   9           H8         G   9  21.551   9.907   2.768
   97    H1     G   9           H1         G   9  24.430   7.647  -2.464
   98   1H2     G   9          1H2         G   9  27.347   7.803  -0.546
   99   2H2     G   9          2H2         G   9  26.612   7.406  -2.083
  100   1H5*    A  10          1H5*        A  10  27.402  14.508   2.903
  101   2H5*    A  10          2H5*        A  10  27.008  15.883   1.855
  102    H4*    A  10           H4*        A  10  28.375  13.860   0.876
  103    H3*    A  10           H3*        A  10  25.956  15.178  -0.443
  104   1H2*    A  10          1H2*        A  10  26.184  13.708  -2.248
  105   2HO*    A  10          2HO*        A  10  28.053  12.537  -2.665
  106    H1*    A  10           H1*        A  10  26.868  11.439  -0.838
  107    H8     A  10           H8         A  10  23.989  12.537   1.067
  108   1H6     A  10          1H6         A  10  20.262  11.273  -3.678
  109   2H6     A  10          2H6         A  10  20.330  11.607  -1.962
  110    H2     A  10           H2         A  10  24.504  11.367  -5.184
  111   1H5*    U  11          1H5*        U  11  27.136  14.342  -4.163
  112   2H5*    U  11          2H5*        U  11  28.142  15.758  -4.493
  113    H4*    U  11           H4*        U  11  26.833  15.371  -6.486
  114    H3*    U  11           H3*        U  11  26.683  17.820  -5.249
  115   1H2*    U  11          1H2*        U  11  24.718  17.427  -3.990
  116   2HO*    U  11          2HO*        U  11  24.283  19.264  -5.263
  117    H1*    U  11           H1*        U  11  23.403  16.125  -6.378
  118    H3     U  11           H3         U  11  19.779  14.872  -4.060
  119    H5     U  11           H5         U  11  22.732  15.069  -1.058
  120    H6     U  11           H6         U  11  24.344  15.664  -2.765
  121   1H5*    U  12          1H5*        U  12  28.284  16.194  -8.606
  122   2H5*    U  12          2H5*        U  12  28.421  16.567 -10.331
  123    H4*    U  12           H4*        U  12  26.956  14.454  -9.059
  124    H3*    U  12           H3*        U  12  28.155  14.923 -11.447
  125   1H2*    U  12          1H2*        U  12  26.578  16.270 -12.444
  126   2HO*    U  12          2HO*        U  12  25.332  15.036 -13.855
  127    H1*    U  12           H1*        U  12  24.234  14.744 -11.373
  128    H3     U  12           H3         U  12  21.980  18.025 -13.592
  129    H5     U  12           H5         U  12  24.257  20.095 -10.708
  130    H6     U  12           H6         U  12  25.359  18.002 -10.169
  131   1H5*    A  13          1H5*        A  13  28.704   9.678 -12.916
  132   2H5*    A  13          2H5*        A  13  27.042   9.212 -13.317
  133    H4*    A  13           H4*        A  13  28.393   9.011 -10.782
  134    H3*    A  13           H3*        A  13  26.395   7.651 -12.065
  135   1H2*    A  13          1H2*        A  13  24.698   9.272 -11.804
  136   2HO*    A  13          2HO*        A  13  23.798   7.487 -10.799
  137    H1*    A  13           H1*        A  13  25.570   9.789  -8.957
  138    H8     A  13           H8         A  13  24.415  11.522 -12.249
  139   1H6     A  13          1H6         A  13  21.691  15.541  -8.462
  140   2H6     A  13          2H6         A  13  21.822  15.017 -10.126
  141    H2     A  13           H2         A  13  24.322  12.802  -6.047
  142   1H5*    C  14          1H5*        C  14  29.143   5.736  -9.802
  143   2H5*    C  14          2H5*        C  14  29.233   4.321  -8.745
  144    H4*    C  14           H4*        C  14  30.377   6.423  -7.857
  145    H3*    C  14           H3*        C  14  28.182   4.969  -6.324
  146   1H2*    C  14          1H2*        C  14  28.427   6.483  -4.541
  147   2HO*    C  14          2HO*        C  14  30.219   7.857  -4.347
  148    H1*    C  14           H1*        C  14  28.781   8.778  -6.061
  149   1H4     C  14          1H4         C  14  22.237   7.981  -5.860
  150   2H4     C  14          2H4         C  14  22.632   8.485  -4.233
  151    H5     C  14           H5         C  14  23.926   7.523  -7.558
  152    H6     C  14           H6         C  14  26.335   7.237  -7.946
  153   1H5*    C  15          1H5*        C  15  31.811   4.152  -3.747
  154   2H5*    C  15          2H5*        C  15  31.754   2.472  -3.179
  155    H4*    C  15           H4*        C  15  31.777   4.277  -1.352
  156    H3*    C  15           H3*        C  15  29.575   2.178  -1.568
  157   1H2*    C  15          1H2*        C  15  28.581   3.032   0.381
  158   2HO*    C  15          2HO*        C  15  29.655   4.371   1.821
  159    H1*    C  15           H1*        C  15  29.019   5.732  -0.133
  160   1H4     C  15          1H4         C  15  23.469   4.088  -3.374
  161   2H4     C  15          2H4         C  15  22.960   4.181  -1.702
  162    H5     C  15           H5         C  15  25.774   4.255  -4.063
  163    H6     C  15           H6         C  15  28.082   4.555  -3.303
  164   1H5*    U  16          1H5*        U  16  30.907   1.936   2.485
  165   2H5*    U  16          2H5*        U  16  30.956   0.262   3.070
  166    H4*    U  16           H4*        U  16  29.409   2.008   4.293
  167    H3*    U  16           H3*        U  16  28.539  -0.781   3.396
  168   1H2*    U  16          1H2*        U  16  26.463  -0.406   4.459
  169   2HO*    U  16          2HO*        U  16  27.524   1.986   5.602
  170    H1*    U  16           H1*        U  16  26.181   2.243   3.667
  171    H3     U  16           H3         U  16  22.949  -0.513   1.755
  172    H5     U  16           H5         U  16  26.281  -0.633  -0.835
  173    H6     U  16           H6         U  16  27.560   0.543   0.850
  174   1H5*    A  17          1H5*        A  17  27.578  -1.157   7.708
  175   2H5*    A  17          2H5*        A  17  27.992  -2.834   8.116
  176    H4*    A  17           H4*        A  17  25.543  -2.187   8.453
  177    H3*    A  17           H3*        A  17  26.331  -4.484   6.626
  178   1H2*    A  17          1H2*        A  17  24.026  -4.950   6.366
  179   2HO*    A  17          2HO*        A  17  23.445  -3.072   8.431
  180    H1*    A  17           H1*        A  17  23.163  -2.322   6.205
  181    H8     A  17           H8         A  17  26.274  -2.765   4.101
  182   1H6     A  17          1H6         A  17  22.694  -4.962  -0.404
  183   2H6     A  17          2H6         A  17  24.301  -4.412   0.015
  184    H2     A  17           H2         A  17  20.189  -4.627   3.316
  185   1H5*    U  18          1H5*        U  18  23.808  -6.509   9.222
  186   2H5*    U  18          2H5*        U  18  24.334  -8.191   9.448
  187    H4*    U  18           H4*        U  18  22.138  -7.931   8.200
  188    H3*    U  18           H3*        U  18  24.543  -9.271   6.883
  189   1H2*    U  18          1H2*        U  18  23.216  -9.752   5.003
  190   2HO*    U  18          2HO*        U  18  20.966  -9.642   5.033
  191    H1*    U  18           H1*        U  18  21.804  -7.358   4.947
  192    H3     U  18           H3         U  18  24.405  -7.687   1.150
  193    H5     U  18           H5         U  18  26.975  -6.176   4.134
  194    H6     U  18           H6         U  18  25.234  -6.591   5.767
  195   1H5*    G  19          1H5*        G  19  21.697 -13.500   7.277
  196   2H5*    G  19          2H5*        G  19  23.206 -14.452   7.314
  197    H4*    G  19           H4*        G  19  21.351 -14.921   5.491
  198    H3*    G  19           H3*        G  19  24.317 -14.523   4.862
  199   1H2*    G  19          1H2*        G  19  23.826 -15.108   2.624
  200   2HO*    G  19          2HO*        G  19  22.484 -16.868   2.880
  201    H1*    G  19           H1*        G  19  21.445 -13.690   2.470
  202    H8     G  19           H8         G  19  24.188 -11.720   4.227
  203    H1     G  19           H1         G  19  24.688 -11.485  -2.126
  204   1H2     G  19          1H2         G  19  22.205 -13.934  -2.115
  205   2H2     G  19          2H2         G  19  23.270 -12.918  -3.062
  206   1H5*    C  20          1H5*        C  20  23.577 -18.862   3.236
  207   2H5*    C  20          2H5*        C  20  25.178 -19.587   3.487
  208    H4*    C  20           H4*        C  20  24.224 -19.587   1.075
  209    H3*    C  20           H3*        C  20  26.984 -18.437   1.736
  210   1H2*    C  20          1H2*        C  20  27.318 -18.256  -0.605
  211   2HO*    C  20          2HO*        C  20  24.889 -19.692  -1.042
  212    H1*    C  20           H1*        C  20  24.741 -17.372  -1.184
  213   1H4     C  20          1H4         C  20  28.367 -12.086   0.571
  214   2H4     C  20          2H4         C  20  28.546 -12.223  -1.162
  215    H5     C  20           H5         C  20  27.194 -13.717   1.910
  216    H6     C  20           H6         C  20  25.947 -15.822   1.871
  217   1H5*    C  21          1H5*        C  21  29.074 -22.561  -0.921
  218   2H5*    C  21          2H5*        C  21  27.502 -21.779  -1.178
  219    H4*    C  21           H4*        C  21  28.522 -21.545  -3.281
  220    H3*    C  21           H3*        C  21  31.111 -21.069  -1.728
  221   1H2*    C  21          1H2*        C  21  31.937 -19.875  -3.589
  222   2HO*    C  21          2HO*        C  21  30.957 -19.970  -5.625
  223    H1*    C  21           H1*        C  21  29.553 -18.579  -4.219
  224   1H4     C  21          1H4         C  21  32.614 -15.007   0.477
  225   2H4     C  21          2H4         C  21  33.128 -14.328  -1.050
  226    H5     C  21           H5         C  21  31.248 -16.991   0.646
  227    H6     C  21           H6         C  21  30.086 -18.742  -0.610
  228    H3T    C  21           H3T        C  21  31.823 -22.640  -3.246
   
   
  No H/Q in entry =         228


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