NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
8168 1lpw 5394 cing 1-original 19 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          H5*         G   1  12.043  15.461  28.794
    2   2H5*    G   1          H5**        G   1  13.269  14.626  27.818
    3    H4*    G   1           H4*        G   1  11.490  13.094  28.589
    4    H3*    G   1           H3*        G   1  11.437  13.579  25.566
    5    H2*    G   1           H2*        G   1   9.878  11.631  25.636
    6   2HO*    G   1          H2**        G   1  10.921  10.673  27.524
    7    H1*    G   1           H1*        G   1   8.326  12.991  27.286
    8    H8     G   1           H8         G   1  10.058  15.877  25.643
    9    H1     G   1           H1         G   1   5.600  13.187  21.914
   10   1H2     G   1          H21         G   1   4.992  11.232  22.756
   11   2H2     G   1          H22         G   1   5.616  10.594  24.269
   12    H5T    G   1           H5T        G   1  12.619  16.616  26.910
   13   1H5*    G   2          H5*         G   2  11.132   9.505  26.101
   14   2H5*    G   2          H5**        G   2  12.290   8.639  25.068
   15    H4*    G   2           H4*        G   2   9.971   7.853  24.695
   16    H3*    G   2           H3*        G   2  11.164   9.419  22.352
   17    H2*    G   2           H2*        G   2   9.195   8.598  21.148
   18   2HO*    G   2          H2**        G   2   8.270   6.962  21.681
   19    H1*    G   2           H1*        G   2   7.582   9.511  23.016
   20    H8     G   2           H8         G   2  10.384  12.010  23.187
   21    H1     G   2           H1         G   2   6.582  12.746  18.090
   22   1H2     G   2          H21         G   2   5.240  10.780  17.853
   23   2H2     G   2          H22         G   2   5.299   9.557  19.092
   24   1H5*    U   3          H5*         U   3   9.437   5.602  21.349
   25   2H5*    U   3          H5**        U   3  10.453   4.690  20.213
   26    H4*    U   3           H4*        U   3   8.118   4.837  19.415
   27    H3*    U   3           H3*        U   3  10.157   6.400  17.741
   28    H2*    U   3           H2*        U   3   8.315   6.740  16.201
   29   2HO*    U   3          H2**        U   3   6.867   5.431  16.092
   30    H1*    U   3           H1*        U   3   6.719   7.651  18.098
   31    H3     U   3           H3         U   3   8.325  11.428  16.042
   32    H5     U   3           H5         U   3  11.120  10.493  19.014
   33    H6     U   3           H6         U   3  10.011   8.419  19.361
   34   1H5*    G   4          H5*         G   4   7.566   3.762  15.635
   35   2H5*    G   4          H5**        G   4   8.327   2.810  14.342
   36    H4*    G   4           H4*        G   4   6.386   4.103  13.496
   37    H3*    G   4           H3*        G   4   9.133   4.959  12.493
   38    H2*    G   4           H2*        G   4   7.902   6.505  11.009
   39   2HO*    G   4          H2**        G   4   5.668   6.550  11.114
   40    H1*    G   4           H1*        G   4   6.599   7.565  13.025
   41    H8     G   4           H8         G   4   9.765   6.395  14.743
   42    H1     G   4           H1         G   4  10.321  12.153  12.024
   43   1H2     G   4          H21         G   4   8.479  12.523  10.579
   44   2H2     G   4          H22         G   4   7.217  11.328  10.484
   45    HN1  PSU   5           HN1      PSU   5  11.497   5.300  12.279
   46    HN3  PSU   5           HN3      PSU   5  12.941   8.997  11.270
   47    H6   PSU   5           H6       PSU   5   9.845   5.457  10.372
   48    H1*  PSU   5           H1*      PSU   5   9.156   8.543   8.742
   49    H2*  PSU   5           H2*      PSU   5  11.048   7.646   7.179
   50   *HO2  PSU   5          *HO2      PSU   5   8.282   7.840   6.603
   51    H3*  PSU   5           H3*      PSU   5  10.642   5.325   7.766
   52    H4*  PSU   5           H4*      PSU   5   7.737   5.838   6.983
   53   1H5*  PSU   5          1H5*      PSU   5   7.198   4.281   8.807
   54   2H5*  PSU   5          2H5*      PSU   5   8.271   3.503   7.622
   55   1H5*    A   6          H5*         A   6   9.976   7.871   4.481
   56   2H5*    A   6          H5**        A   6  11.032   7.737   3.059
   57    H4*    A   6           H4*        A   6  11.011  10.026   4.054
   58    H3*    A   6           H3*        A   6  13.695   8.577   4.260
   59    H2*    A   6           H2*        A   6  14.504  10.823   5.028
   60   2HO*    A   6          H2**        A   6  13.021  12.505   5.185
   61    H1*    A   6           H1*        A   6  12.806  10.672   7.056
   62    H8     A   6           H8         A   6  12.871   7.049   6.245
   63   1H6     A   6          H61         A   6  18.223   6.550   9.228
   64   2H6     A   6          H62         A   6  16.844   5.716   8.557
   65    H2     A   6           H2         A   6  17.324  10.962   8.723
   66   1H5*    G   7          H5*         G   7  14.360  12.529   3.106
   67   2H5*    G   7          H5**        G   7  15.392  12.572   1.660
   68    H4*    G   7           H4*        G   7  16.332  13.990   3.434
   69    H3*    G   7           H3*        G   7  17.916  11.429   2.901
   70    H2*    G   7           H2*        G   7  19.642  12.534   4.301
   71   2HO*    G   7          H2**        G   7  19.033  14.706   3.670
   72    H1*    G   7           H1*        G   7  17.905  12.666   6.266
   73    H8     G   7           H8         G   7  16.242   9.873   4.460
   74    H1     G   7           H1         G   7  21.451   7.947   7.605
   75   1H2     G   7          H21         G   7  22.750   9.861   8.201
   76   2H2     G   7          H22         G   7  22.105  11.456   7.932
   77   1H5*    U   8          H5*         U   8  20.757  14.406   2.978
   78   2H5*    U   8          H5**        U   8  21.732  14.312   1.495
   79    H4*    U   8           H4*        U   8  23.177  14.254   3.473
   80    H3*    U   8           H3*        U   8  22.993  11.572   2.014
   81    H2*    U   8           H2*        U   8  24.928  11.006   3.472
   82   2HO*    U   8          H2**        U   8  26.079  12.486   4.122
   83    H1*    U   8           H1*        U   8  23.508  11.636   5.611
   84    H3     U   8           H3         U   8  23.068   7.084   5.068
   85    H5     U   8           H5         U   8  19.857   8.798   2.989
   86    H6     U   8           H6         U   8  20.850  10.938   3.290
   87   1H5*    A   9          H5*         A   9  26.740  12.807   2.456
   88   2H5*    A   9          H5**        A   9  27.847  12.836   1.071
   89    H4*    A   9           H4*        A   9  28.742  11.731   3.134
   90    H3*    A   9           H3*        A   9  29.513  10.805   0.756
   91    H2*    A   9           H2*        A   9  27.287   9.725   0.482
   92   2HO*    A   9          H2**        A   9  28.090   7.351   1.072
   93    H1*    A   9           H1*        A   9  28.053   8.338   3.067
   94    H8     A   9           H8         A   9  24.699   9.881   1.803
   95   1H6     A   9          H61         A   9  22.512   4.099   2.305
   96   2H6     A   9          H62         A   9  22.090   5.759   1.943
   97    H2     A   9           H2         A   9  26.883   3.996   3.215
   98    H3T    A   9           H3T        A   9  29.614   9.210   3.104
   99   1H5*    U   1          H5*         U   1  24.584  -4.580   4.035
  100   2H5*    U   1          H5**        U   1  26.062  -5.436   3.540
  101    H4*    U   1           H4*        U   1  27.436  -3.891   4.834
  102    H3*    U   1           H3*        U   1  24.820  -2.452   5.525
  103    H2*    U   1           H2*        U   1  26.403  -0.583   5.899
  104   2HO*    U   1          H2**        U   1  28.263  -0.911   6.356
  105    H1*    U   1           H1*        U   1  27.455  -0.979   3.472
  106    H3     U   1           H3         U   1  24.702   2.656   3.168
  107    H5     U   1           H5         U   1  22.149  -0.637   2.744
  108    H6     U   1           H6         U   1  23.981  -2.078   3.302
  109    H5T    U   1           H5T        U   1  25.639  -4.990   6.216
  110   1H5*    A   2          H5*         A   2  28.163  -1.668   8.272
  111   2H5*    A   2          H5**        A   2  27.558  -1.359   9.914
  112    H4*    A   2           H4*        A   2  29.013   0.468   9.135
  113    H3*    A   2           H3*        A   2  26.073   1.283   9.341
  114    H2*    A   2           H2*        A   2  27.037   3.570   9.080
  115   2HO*    A   2          H2**        A   2  29.225   3.773   8.734
  116    H1*    A   2           H1*        A   2  28.068   2.831   6.779
  117    H8     A   2           H8         A   2  25.229   0.336   7.196
  118   1H6     A   2          H61         A   2  21.521   4.711   4.913
  119   2H6     A   2          H62         A   2  21.693   2.999   5.221
  120    H2     A   2           H2         A   2  25.522   6.582   5.669
  121   1H5*    C   3          H5*         C   3  28.418   4.081  11.369
  122   2H5*    C   3          H5**        C   3  27.703   4.486  12.946
  123    H4*    C   3           H4*        C   3  28.134   6.508  11.616
  124    H3*    C   3           H3*        C   3  25.152   5.890  11.928
  125    H2*    C   3           H2*        C   3  24.931   8.216  11.040
  126   2HO*    C   3          H2**        C   3  26.784   9.309  10.456
  127    H1*    C   3           H1*        C   3  26.350   7.502   8.911
  128   1H4     C   3          H41         C   3  20.594   5.293   7.410
  129   2H4     C   3          H42         C   3  21.114   3.669   7.785
  130    H5     C   3           H5         C   3  23.180   3.254   9.069
  131    H6     C   3           H6         C   3  25.213   4.252   9.897
  132   1H5*    U   4          H5*         U   4  26.177   9.690  12.659
  133   2H5*    U   4          H5**        U   4  25.957  10.215  14.338
  134    H4*    U   4           H4*        U   4  25.385  11.939  12.683
  135    H3*    U   4           H3*        U   4  23.937  11.648  14.906
  136    H2*    U   4           H2*        U   4  22.612   9.885  13.862
  137   2HO*    U   4          H2**        U   4  21.073  12.242  13.705
  138    H1*    U   4           H1*        U   4  22.086  11.867  11.629
  139    H3     U   4           H3         U   4  19.279   8.864   9.590
  140    H5     U   4           H5         U   4  22.145   6.424  11.456
  141    H6     U   4           H6         U   4  23.189   8.395  12.309
  142   1H5*    A   5          H5*         A   5  22.036  14.692  11.506
  143   2H5*    A   5          H5**        A   5  21.390  16.017  12.497
  144    H4*    A   5           H4*        A   5  19.981  15.635  10.572
  145    H3*    A   5           H3*        A   5  18.586  14.602  13.093
  146    H2*    A   5           H2*        A   5  16.643  14.712  11.554
  147   2HO*    A   5          H2**        A   5  17.278  16.551  10.452
  148    H1*    A   5           H1*        A   5  17.991  13.234   9.759
  149    H8     A   5           H8         A   5  19.323  12.098  13.126
  150   1H6     A   5          H61         A   5  15.826   8.933  14.287
  151   2H6     A   5          H62         A   5  14.350   8.435  13.492
  152    H2     A   5           H2         A   5  13.711  11.206  10.040
  153   1H5*    A   6          H5*         A   6  17.952  18.973  10.714
  154   2H5*    A   6          H5**        A   6  17.244  19.884  12.064
  155    H4*    A   6           H4*        A   6  16.423  20.649   9.894
  156    H3*    A   6           H3*        A   6  14.666  20.506  11.916
  157    H2*    A   6           H2*        A   6  14.544  18.085  11.560
  158   2HO*    A   6          H2**        A   6  12.204  19.316  10.645
  159    H1*    A   6           H1*        A   6  13.676  18.828   8.744
  160    H8     A   6           H8         A   6  15.226  16.113  11.021
  161   1H6     A   6          H61         A   6  14.523  12.290   8.153
  162   2H6     A   6          H62         A   6  13.773  12.116   6.563
  163    H2     A   6           H2         A   6  12.820  16.173   5.056
  164   1H5*    C   7          H5*         C   7   9.626  21.181  10.476
  165   2H5*    C   7          H5**        C   7  10.551  19.992  11.415
  166    H4*    C   7           H4*        C   7   9.327  19.550   8.675
  167    H3*    C   7           H3*        C   7   8.435  18.420  11.412
  168    H2*    C   7           H2*        C   7   7.591  16.623  10.155
  169   2HO*    C   7          H2**        C   7   8.463  18.007   7.840
  170    H1*    C   7           H1*        C   7   9.873  16.232   8.870
  171   1H4     C   7          H41         C   7  11.535  13.044  14.090
  172   2H4     C   7          H42         C   7  11.768  14.523  14.994
  173    H5     C   7           H5         C   7  11.346  16.744  14.027
  174    H6     C   7           H6         C   7  10.547  17.917  12.087
  175   1H5*    A   8          H5*         A   8   4.672  19.392   9.634
  176   2H5*    A   8          H5**        A   8   3.390  19.663  10.833
  177    H4*    A   8           H4*        A   8   3.449  17.325   9.899
  178    H3*    A   8           H3*        A   8   4.099  17.561  12.885
  179    H2*    A   8           H2*        A   8   3.975  15.094  12.799
  180   2HO*    A   8          H2**        A   8   2.783  14.258  11.512
  181    H1*    A   8           H1*        A   8   5.770  15.068  10.762
  182    H8     A   8           H8         A   8   6.793  18.023  12.737
  183   1H6     A   8          H61         A   8   9.724  14.029  16.475
  184   2H6     A   8          H62         A   8   9.471  15.724  16.118
  185    H2     A   8           H2         A   8   7.062  11.677  13.764
  186   1H5*    C   9          H5*         C   9   0.864  14.756  11.990
  187   2H5*    C   9          H5**        C   9  -0.425  14.839  13.213
  188    H4*    C   9           H4*        C   9   0.444  12.548  13.021
  189    H3*    C   9           H3*        C   9   1.171  13.970  15.632
  190    H2*    C   9           H2*        C   9   1.998  11.732  16.331
  191   2HO*    C   9          H2**        C   9   1.195  10.890  13.758
  192    H1*    C   9           H1*        C   9   3.569  11.622  14.215
  193   1H4     C   9          H41         C   9   7.217  15.398  17.783
  194   2H4     C   9          H42         C   9   6.414  16.820  17.150
  195    H5     C   9           H5         C   9   4.437  16.682  15.747
  196    H6     C   9           H6         C   9   2.916  15.191  14.610
  197   1H5*    C  10          H5*         C  10  -0.181  10.355  16.290
  198   2H5*    C  10          H5**        C  10  -1.585  10.114  17.346
  199    H4*    C  10           H4*        C  10   0.359   8.624  17.837
  200    H3*    C  10           H3*        C  10  -1.163   9.454  19.859
  201    H2*    C  10           H2*        C  10  -0.065  11.701  19.691
  202   2HO*    C  10          H2**        C  10   0.936  11.940  21.730
  203    H1*    C  10           H1*        C  10   2.419  10.025  20.169
  204   1H4     C  10          H41         C  10   5.517  15.551  20.138
  205   2H4     C  10          H42         C  10   4.530  16.211  18.847
  206    H5     C  10           H5         C  10   2.640  14.973  17.904
  207    H6     C  10           H6         C  10   1.402  12.884  17.983
  208    H3T    C  10           H3T        C  10   0.290   8.499  21.303
  Start of MODEL    2
    1   1H5*    G   1          H5*         G   1  12.449  14.449  27.792
    2   2H5*    G   1          H5**        G   1  12.285  14.215  29.548
    3    H4*    G   1           H4*        G   1  11.251  12.035  29.197
    4    H3*    G   1           H3*        G   1  11.537  12.606  26.200
    5    H2*    G   1           H2*        G   1   9.672  10.947  26.102
    6   2HO*    G   1          H2**        G   1  10.392   9.772  28.008
    7    H1*    G   1           H1*        G   1   8.268  12.519  27.704
    8    H8     G   1           H8         G   1  10.525  15.104  26.203
    9    H1     G   1           H1         G   1   5.942  13.148  22.179
   10   1H2     G   1          H21         G   1   4.994  11.303  22.957
   11   2H2     G   1          H22         G   1   5.415  10.577  24.501
   12    H5T    G   1           H5T        G   1  13.478  12.229  28.077
   13   1H5*    G   2          H5*         G   2  10.498   8.701  26.489
   14   2H5*    G   2          H5**        G   2  11.564   7.658  25.524
   15    H4*    G   2           H4*        G   2   9.176   7.339  24.930
   16    H3*    G   2           H3*        G   2  10.829   8.706  22.747
   17    H2*    G   2           H2*        G   2   8.858   8.242  21.364
   18   2HO*    G   2          H2**        G   2   7.619   6.783  21.780
   19    H1*    G   2           H1*        G   2   7.263   9.357  23.159
   20    H8     G   2           H8         G   2  10.388  11.425  23.504
   21    H1     G   2           H1         G   2   6.995  12.717  18.230
   22   1H2     G   2          H21         G   2   5.392  10.967  17.911
   23   2H2     G   2          H22         G   2   5.227   9.738  19.133
   24   1H5*    U   3          H5*         U   3   8.483   5.254  21.511
   25   2H5*    U   3          H5**        U   3   9.460   4.212  20.456
   26    H4*    U   3           H4*        U   3   7.283   4.689  19.411
   27    H3*    U   3           H3*        U   3   9.676   6.039  18.078
   28    H2*    U   3           H2*        U   3   8.086   6.540  16.286
   29   2HO*    U   3          H2**        U   3   6.619   5.311  15.956
   30    H1*    U   3           H1*        U   3   6.369   7.617  18.003
   31    H3     U   3           H3         U   3   8.572  11.212  16.167
   32    H5     U   3           H5         U   3  11.030   9.896  19.290
   33    H6     U   3           H6         U   3   9.638   7.981  19.539
   34   1H5*    G   4          H5*         G   4   7.369   3.568  15.422
   35   2H5*    G   4          H5**        G   4   8.398   2.583  14.354
   36    H4*    G   4           H4*        G   4   6.803   3.923  13.039
   37    H3*    G   4           H3*        G   4   9.745   4.739  12.812
   38    H2*    G   4           H2*        G   4   8.980   6.342  11.137
   39   2HO*    G   4          H2**        G   4   7.446   4.915  10.273
   40    H1*    G   4           H1*        G   4   7.040   7.302  12.660
   41    H8     G   4           H8         G   4   9.761   6.326  15.131
   42    H1     G   4           H1         G   4  10.449  12.190  12.684
   43   1H2     G   4          H21         G   4   8.960  12.439  10.841
   44   2H2     G   4          H22         G   4   7.858  11.154  10.436
   45    HN1  PSU   5           HN1      PSU   5  13.040   5.351  10.832
   46    HN3  PSU   5           HN3      PSU   5  13.780   8.975   9.067
   47    H6   PSU   5           H6       PSU   5  10.679   5.419   9.921
   48    H1*  PSU   5           H1*      PSU   5   9.170   8.357   8.658
   49    H2*  PSU   5           H2*      PSU   5  10.429   7.732   6.436
   50   *HO2  PSU   5          *HO2      PSU   5   8.349   7.443   5.406
   51    H3*  PSU   5           H3*      PSU   5  10.643   5.402   7.192
   52    H4*  PSU   5           H4*      PSU   5   7.582   5.524   7.269
   53   1H5*  PSU   5          1H5*      PSU   5   7.670   3.863   9.015
   54   2H5*  PSU   5          2H5*      PSU   5   8.615   3.241   7.650
   55   1H5*    A   6          H5*         A   6   9.343   7.887   4.028
   56   2H5*    A   6          H5**        A   6  10.249   7.589   2.534
   57    H4*    A   6           H4*        A   6  10.452   9.941   3.305
   58    H3*    A   6           H3*        A   6  13.042   8.333   3.455
   59    H2*    A   6           H2*        A   6  14.063  10.552   3.910
   60   2HO*    A   6          H2**        A   6  12.580  12.331   4.186
   61    H1*    A   6           H1*        A   6  12.528  10.781   6.051
   62    H8     A   6           H8         A   6  12.441   7.061   5.455
   63   1H6     A   6          H61         A   6  17.717   6.632   8.603
   64   2H6     A   6          H62         A   6  16.390   5.775   7.861
   65    H2     A   6           H2         A   6  16.901  11.018   7.831
   66   1H5*    G   7          H5*         G   7  13.889  11.850   1.467
   67   2H5*    G   7          H5**        G   7  14.956  11.595   0.067
   68    H4*    G   7           H4*        G   7  15.911  13.210   1.660
   69    H3*    G   7           H3*        G   7  17.442  10.559   1.584
   70    H2*    G   7           H2*        G   7  19.099  11.856   2.906
   71   2HO*    G   7          H2**        G   7  17.243  13.977   2.784
   72    H1*    G   7           H1*        G   7  17.279  12.309   4.728
   73    H8     G   7           H8         G   7  15.841   9.217   3.113
   74    H1     G   7           H1         G   7  20.626   7.965   7.167
   75   1H2     G   7          H21         G   7  21.725  10.015   7.708
   76   2H2     G   7          H22         G   7  21.081  11.522   7.112
   77   1H5*    U   8          H5*         U   8  20.038  13.748   1.170
   78   2H5*    U   8          H5**        U   8  21.277  13.474  -0.075
   79    H4*    U   8           H4*        U   8  22.300  14.030   2.091
   80    H3*    U   8           H3*        U   8  22.725  11.117   1.259
   81    H2*    U   8           H2*        U   8  24.371  11.179   3.154
   82   2HO*    U   8          H2**        U   8  24.509  13.036   4.367
   83    H1*    U   8           H1*        U   8  22.423  11.875   4.780
   84    H3     U   8           H3         U   8  22.514   7.272   4.985
   85    H5     U   8           H5         U   8  19.689   8.231   2.053
   86    H6     U   8           H6         U   8  20.403  10.484   2.144
   87   1H5*    A   9          H5*         A   9  26.088  12.836   2.246
   88   2H5*    A   9          H5**        A   9  27.478  12.832   1.144
   89    H4*    A   9           H4*        A   9  27.969  12.153   3.511
   90    H3*    A   9           H3*        A   9  29.382  11.039   1.543
   91    H2*    A   9           H2*        A   9  27.413   9.626   0.963
   92   2HO*    A   9          H2**        A   9  28.283   7.484   2.070
   93    H1*    A   9           H1*        A   9  27.684   8.728   3.845
   94    H8     A   9           H8         A   9  24.461   9.626   1.877
   95   1H6     A   9          H61         A   9  23.117   3.593   2.482
   96   2H6     A   9          H62         A   9  22.513   5.129   1.893
   97    H2     A   9           H2         A   9  27.246   4.239   4.018
   98    H3T    A   9           H3T        A   9  29.086   9.797   4.081
   99   1H5*    U   1          H5*         U   1  26.335  -4.381   5.190
  100   2H5*    U   1          H5**        U   1  27.848  -5.178   4.704
  101    H4*    U   1           H4*        U   1  29.160  -3.373   5.689
  102    H3*    U   1           H3*        U   1  26.479  -2.059   6.375
  103    H2*    U   1           H2*        U   1  27.929  -0.029   6.403
  104   2HO*    U   1          H2**        U   1  29.815  -1.174   7.180
  105    H1*    U   1           H1*        U   1  28.771  -0.644   3.938
  106    H3     U   1           H3         U   1  25.529   2.543   3.447
  107    H5     U   1           H5         U   1  23.460  -1.092   3.529
  108    H6     U   1           H6         U   1  25.495  -2.192   4.135
  109    H5T    U   1           H5T        U   1  27.560  -4.404   7.322
  110   1H5*    A   2          H5*         A   2  29.402  -0.054   8.693
  111   2H5*    A   2          H5**        A   2  28.773   0.105  10.348
  112    H4*    A   2           H4*        A   2  29.374   2.307   9.436
  113    H3*    A   2           H3*        A   2  26.352   1.894   9.659
  114    H2*    A   2           H2*        A   2  26.294   4.316   9.306
  115   2HO*    A   2          H2**        A   2  27.796   5.458   9.817
  116    H1*    A   2           H1*        A   2  27.859   4.103   7.164
  117    H8     A   2           H8         A   2  25.766   0.941   7.144
  118   1H6     A   2          H61         A   2  21.320   4.515   4.665
  119   2H6     A   2          H62         A   2  21.775   2.853   4.999
  120    H2     A   2           H2         A   2  24.606   7.173   6.023
  121   1H5*    C   3          H5*         C   3  27.892   5.415  11.687
  122   2H5*    C   3          H5**        C   3  27.073   5.631  13.249
  123    H4*    C   3           H4*        C   3  27.007   7.707  11.921
  124    H3*    C   3           H3*        C   3  24.289   6.326  12.186
  125    H2*    C   3           H2*        C   3  23.441   8.453  11.288
  126   2HO*    C   3          H2**        C   3  24.456  10.124  11.653
  127    H1*    C   3           H1*        C   3  25.190   8.334   9.253
  128   1H4     C   3          H41         C   3  20.125   5.205   7.086
  129   2H4     C   3          H42         C   3  20.820   3.675   7.565
  130    H5     C   3           H5         C   3  22.801   3.572   9.059
  131    H6     C   3           H6         C   3  24.543   4.876  10.103
  132   1H5*    U   4          H5*         U   4  24.806  10.302  13.329
  133   2H5*    U   4          H5**        U   4  24.328  10.714  14.984
  134    H4*    U   4           H4*        U   4  23.762  12.454  13.320
  135    H3*    U   4           H3*        U   4  22.154  11.929  15.373
  136    H2*    U   4           H2*        U   4  21.182  10.045  14.166
  137   2HO*    U   4          H2**        U   4  19.162  11.935  13.697
  138    H1*    U   4           H1*        U   4  20.613  12.080  11.987
  139    H3     U   4           H3         U   4  18.605   9.047   9.199
  140    H5     U   4           H5         U   4  21.060   6.666  11.613
  141    H6     U   4           H6         U   4  21.788   8.641  12.740
  142   1H5*    A   5          H5*         A   5  18.467  15.732  14.768
  143   2H5*    A   5          H5**        A   5  17.372  14.341  14.834
  144    H4*    A   5           H4*        A   5  19.485  14.805  12.701
  145    H3*    A   5           H3*        A   5  17.355  16.394  12.585
  146    H2*    A   5           H2*        A   5  15.907  14.533  13.277
  147   2HO*    A   5          H2**        A   5  14.815  14.006  11.126
  148    H1*    A   5           H1*        A   5  17.066  13.122  10.826
  149    H8     A   5           H8         A   5  17.190  11.207  14.008
  150   1H6     A   5          H61         A   5  13.294   8.336  13.336
  151   2H6     A   5          H62         A   5  11.916   8.444  12.260
  152    H2     A   5           H2         A   5  12.615  11.886   9.514
  153   1H5*    A   6          H5*         A   6  19.351  19.028   9.208
  154   2H5*    A   6          H5**        A   6  18.920  19.981  10.638
  155    H4*    A   6           H4*        A   6  17.405  20.432   8.820
  156    H3*    A   6           H3*        A   6  16.407  20.038  11.306
  157    H2*    A   6           H2*        A   6  16.184  17.603  10.739
  158   2HO*    A   6          H2**        A   6  13.686  18.880  10.549
  159    H1*    A   6           H1*        A   6  14.731  18.775   8.342
  160    H8     A   6           H8         A   6  16.802  15.700   9.364
  161   1H6     A   6          H61         A   6  13.226  12.525   5.358
  162   2H6     A   6          H62         A   6  14.424  12.309   6.585
  163    H2     A   6           H2         A   6  11.888  16.770   5.377
  164   1H5*    C   7          H5*         C   7  11.058  20.881  10.845
  165   2H5*    C   7          H5**        C   7  11.973  19.597  11.660
  166    H4*    C   7           H4*        C   7  10.487  19.355   9.029
  167    H3*    C   7           H3*        C   7   9.750  18.267  11.828
  168    H2*    C   7           H2*        C   7   8.695  16.520  10.679
  169   2HO*    C   7          H2**        C   7   7.821  17.579   9.030
  170    H1*    C   7           H1*        C   7  10.812  15.920   9.240
  171   1H4     C   7          H41         C   7  12.281  12.957  14.684
  172   2H4     C   7          H42         C   7  13.249  14.331  15.171
  173    H5     C   7           H5         C   7  13.348  16.386  13.875
  174    H6     C   7           H6         C   7  12.516  17.540  11.938
  175   1H5*    A   8          H5*         A   8   6.036  19.903  10.120
  176   2H5*    A   8          H5**        A   8   4.797  20.277  11.336
  177    H4*    A   8           H4*        A   8   4.564  17.993  10.305
  178    H3*    A   8           H3*        A   8   5.231  18.036  13.295
  179    H2*    A   8           H2*        A   8   4.798  15.614  13.130
  180   2HO*    A   8          H2**        A   8   3.479  15.000  11.830
  181    H1*    A   8           H1*        A   8   6.564  15.426  11.074
  182    H8     A   8           H8         A   8   8.041  18.108  13.158
  183   1H6     A   8          H61         A   8  10.354  13.553  16.672
  184   2H6     A   8          H62         A   8  10.399  15.274  16.346
  185    H2     A   8           H2         A   8   7.332  11.754  13.916
  186   1H5*    C   9          H5*         C   9   1.597  15.770  12.297
  187   2H5*    C   9          H5**        C   9   0.333  15.999  13.528
  188    H4*    C   9           H4*        C   9   0.846  13.614  13.247
  189    H3*    C   9           H3*        C   9   1.782  14.810  15.904
  190    H2*    C   9           H2*        C   9   2.262  12.451  16.515
  191   2HO*    C   9          H2**        C   9   1.321  11.839  13.923
  192    H1*    C   9           H1*        C   9   3.790  12.176  14.377
  193   1H4     C   9          H41         C   9   8.011  15.232  18.009
  194   2H4     C   9          H42         C   9   7.407  16.779  17.456
  195    H5     C   9           H5         C   9   5.396  16.990  16.118
  196    H6     C   9           H6         C   9   3.659  15.786  14.950
  197   1H5*    C  10          H5*         C  10  -0.132  11.439  16.430
  198   2H5*    C  10          H5**        C  10  -1.564  11.389  17.475
  199    H4*    C  10           H4*        C  10   0.113   9.590  17.914
  200    H3*    C  10           H3*        C  10  -1.269  10.580  19.962
  201    H2*    C  10           H2*        C  10   0.165  12.633  19.874
  202   2HO*    C  10          H2**        C  10  -0.297  11.965  22.041
  203    H1*    C  10           H1*        C  10   2.352  10.573  20.297
  204   1H4     C  10          H41         C  10   6.323  15.505  20.426
  205   2H4     C  10          H42         C  10   5.471  16.353  19.149
  206    H5     C  10           H5         C  10   3.385  15.491  18.198
  207    H6     C  10           H6         C  10   1.816  13.638  18.216
  208    H3T    C  10           H3T        C  10   0.004   9.359  21.374
  Start of MODEL    3
    1   1H5*    G   1          H5*         G   1  12.642  15.187  27.216
    2   2H5*    G   1          H5**        G   1  12.273  14.812  28.915
    3    H4*    G   1           H4*        G   1  11.174  12.736  28.260
    4    H3*    G   1           H3*        G   1  11.793  13.551  25.368
    5    H2*    G   1           H2*        G   1   9.913  12.025  24.927
    6   2HO*    G   1          H2**        G   1   9.410  10.600  26.156
    7    H1*    G   1           H1*        G   1   8.428  13.279  26.796
    8    H8     G   1           H8         G   1  10.492  15.996  25.164
    9    H1     G   1           H1         G   1   5.611  13.934  21.558
   10   1H2     G   1          H21         G   1   4.759  12.082  22.431
   11   2H2     G   1          H22         G   1   5.359  11.356  23.911
   12    H5T    G   1           H5T        G   1  13.538  12.904  27.401
   13   1H5*    G   2          H5*         G   2  10.806   9.429  25.955
   14   2H5*    G   2          H5**        G   2  11.742   8.342  24.910
   15    H4*    G   2           H4*        G   2   9.305   7.945  24.691
   16    H3*    G   2           H3*        G   2  10.619   9.172  22.217
   17    H2*    G   2           H2*        G   2   8.480   8.672  21.140
   18   2HO*    G   2          H2**        G   2   7.272   7.276  21.816
   19    H1*    G   2           H1*        G   2   7.151   9.948  23.029
   20    H8     G   2           H8         G   2  10.377  11.896  22.939
   21    H1     G   2           H1         G   2   6.496  13.155  18.013
   22   1H2     G   2          H21         G   2   4.808  11.464  17.918
   23   2H2     G   2          H22         G   2   4.704  10.289  19.198
   24   1H5*    U   3          H5*         U   3   8.101   5.707  21.672
   25   2H5*    U   3          H5**        U   3   8.858   4.513  20.598
   26    H4*    U   3           H4*        U   3   6.546   4.967  19.894
   27    H3*    U   3           H3*        U   3   8.700   6.036  18.008
   28    H2*    U   3           H2*        U   3   6.793   6.368  16.457
   29   2HO*    U   3          H2**        U   3   4.740   5.858  17.160
   30    H1*    U   3           H1*        U   3   5.537   7.818  18.288
   31    H3     U   3           H3         U   3   7.646  11.204  16.011
   32    H5     U   3           H5         U   3  10.474   9.809  18.754
   33    H6     U   3           H6         U   3   9.026   7.997  19.288
   34   1H5*    G   4          H5*         G   4   6.531   3.129  15.740
   35   2H5*    G   4          H5**        G   4   7.611   2.206  14.669
   36    H4*    G   4           H4*        G   4   5.956   3.484  13.370
   37    H3*    G   4           H3*        G   4   8.827   4.522  13.132
   38    H2*    G   4           H2*        G   4   7.875   5.935  11.342
   39   2HO*    G   4          H2**        G   4   5.688   5.793  10.900
   40    H1*    G   4           H1*        G   4   6.063   6.911  13.013
   41    H8     G   4           H8         G   4   8.776   5.893  15.440
   42    H1     G   4           H1         G   4   9.858  11.550  12.671
   43   1H2     G   4          H21         G   4   8.367  11.800  10.821
   44   2H2     G   4          H22         G   4   7.132  10.602  10.558
   45    HN1  PSU   5           HN1      PSU   5  10.927   6.986  13.297
   46    HN3  PSU   5           HN3      PSU   5  13.184   4.558  10.859
   47    H6   PSU   5           H6       PSU   5   9.492   7.552  11.277
   48    H1*  PSU   5           H1*      PSU   5   9.419   7.795   9.087
   49    H2*  PSU   5           H2*      PSU   5  10.966   6.900   7.350
   50   *HO2  PSU   5          *HO2      PSU   5   9.723   8.132   6.417
   51    H3*  PSU   5           H3*      PSU   5  10.461   4.582   7.758
   52    H4*  PSU   5           H4*      PSU   5   7.492   5.102   7.360
   53   1H5*  PSU   5          1H5*      PSU   5   7.238   3.701   9.333
   54   2H5*  PSU   5          2H5*      PSU   5   8.278   2.841   8.172
   55   1H5*    A   6          H5*         A   6   9.765   7.401   4.779
   56   2H5*    A   6          H5**        A   6  10.790   7.282   3.340
   57    H4*    A   6           H4*        A   6  10.827   9.535   4.350
   58    H3*    A   6           H3*        A   6  13.513   8.088   4.563
   59    H2*    A   6           H2*        A   6  14.276  10.399   5.180
   60   2HO*    A   6          H2**        A   6  12.642  12.015   5.333
   61    H1*    A   6           H1*        A   6  12.617  10.345   7.226
   62    H8     A   6           H8         A   6  12.737   6.665   6.896
   63   1H6     A   6          H61         A   6  18.233   6.617   9.637
   64   2H6     A   6          H62         A   6  16.829   5.686   9.179
   65    H2     A   6           H2         A   6  17.297  10.886   8.597
   66   1H5*    G   7          H5*         G   7  13.911  12.045   3.332
   67   2H5*    G   7          H5**        G   7  14.884  12.173   1.850
   68    H4*    G   7           H4*        G   7  15.749  13.676   3.609
   69    H3*    G   7           H3*        G   7  17.534  11.281   2.966
   70    H2*    G   7           H2*        G   7  19.211  12.485   4.331
   71   2HO*    G   7          H2**        G   7  18.605  14.394   5.330
   72    H1*    G   7           H1*        G   7  17.545  12.451   6.364
   73    H8     G   7           H8         G   7  16.048   9.553   4.578
   74    H1     G   7           H1         G   7  21.493   8.018   7.525
   75   1H2     G   7          H21         G   7  22.654  10.025   8.103
   76   2H2     G   7          H22         G   7  21.876  11.568   7.880
   77   1H5*    U   8          H5*         U   8  20.184  14.440   3.091
   78   2H5*    U   8          H5**        U   8  21.028  14.479   1.525
   79    H4*    U   8           H4*        U   8  22.667  14.394   3.343
   80    H3*    U   8           H3*        U   8  22.404  11.783   1.777
   81    H2*    U   8           H2*        U   8  24.463  11.171   2.954
   82   2HO*    U   8          H2**        U   8  25.710  12.614   3.379
   83    H1*    U   8           H1*        U   8  23.351  11.752   5.301
   84    H3     U   8           H3         U   8  23.092   7.200   4.772
   85    H5     U   8           H5         U   8  19.613   8.720   3.004
   86    H6     U   8           H6         U   8  20.498  10.919   3.241
   87   1H5*    A   9          H5*         A   9  26.433  13.408   1.387
   88   2H5*    A   9          H5**        A   9  27.108  13.065  -0.223
   89    H4*    A   9           H4*        A   9  28.544  12.179   1.555
   90    H3*    A   9           H3*        A   9  27.125   9.988  -0.028
   91    H2*    A   9           H2*        A   9  28.743   8.518   1.130
   92   2HO*    A   9          H2**        A   9  30.417  10.168   1.269
   93    H1*    A   9           H1*        A   9  27.804   9.388   3.448
   94    H8     A   9           H8         A   9  24.850  10.135   1.244
   95   1H6     A   9          H61         A   9  23.205   4.208   2.000
   96   2H6     A   9          H62         A   9  22.681   5.778   1.431
   97    H2     A   9           H2         A   9  27.360   4.695   3.585
   98    H3T    A   9           H3T        A   9  29.657  11.209  -0.299
   99   1H5*    U   1          H5*         U   1  27.342  -4.967   4.717
  100   2H5*    U   1          H5**        U   1  26.253  -4.157   3.576
  101    H4*    U   1           H4*        U   1  29.019  -3.169   4.357
  102    H3*    U   1           H3*        U   1  26.260  -2.083   5.128
  103    H2*    U   1           H2*        U   1  27.564  -0.024   5.497
  104   2HO*    U   1          H2**        U   1  29.459  -0.063   5.907
  105    H1*    U   1           H1*        U   1  28.652  -0.245   3.054
  106    H3     U   1           H3         U   1  25.470   3.028   2.914
  107    H5     U   1           H5         U   1  23.354  -0.537   2.314
  108    H6     U   1           H6         U   1  25.354  -1.759   2.828
  109    H5T    U   1           H5T        U   1  27.458  -5.817   2.600
  110   1H5*    A   2          H5*         A   2  29.483  -0.718   7.756
  111   2H5*    A   2          H5**        A   2  28.879  -0.576   9.421
  112    H4*    A   2           H4*        A   2  29.886   1.545   8.652
  113    H3*    A   2           H3*        A   2  26.846   1.653   8.965
  114    H2*    A   2           H2*        A   2  27.175   4.070   8.703
  115   2HO*    A   2          H2**        A   2  28.877   4.921   9.147
  116    H1*    A   2           H1*        A   2  28.457   3.688   6.427
  117    H8     A   2           H8         A   2  26.080   0.727   6.601
  118   1H6     A   2          H61         A   2  21.712   4.686   4.672
  119   2H6     A   2          H62         A   2  22.113   2.988   4.837
  120    H2     A   2           H2         A   2  25.351   7.054   5.666
  121   1H5*    C   3          H5*         C   3  28.874   4.849  11.056
  122   2H5*    C   3          H5**        C   3  28.149   5.097  12.659
  123    H4*    C   3           H4*        C   3  28.287   7.215  11.390
  124    H3*    C   3           H3*        C   3  25.434   6.182  11.787
  125    H2*    C   3           H2*        C   3  24.799   8.407  10.935
  126   2HO*    C   3          H2**        C   3  26.053   9.946  11.043
  127    H1*    C   3           H1*        C   3  26.310   8.052   8.783
  128   1H4     C   3          H41         C   3  20.850   5.254   7.227
  129   2H4     C   3          H42         C   3  21.524   3.677   7.569
  130    H5     C   3           H5         C   3  23.629   3.452   8.856
  131    H6     C   3           H6         C   3  25.553   4.648   9.706
  132   1H5*    U   4          H5*         U   4  26.090  10.156  12.697
  133   2H5*    U   4          H5**        U   4  25.779  10.580  14.385
  134    H4*    U   4           H4*        U   4  25.019  12.299  12.775
  135    H3*    U   4           H3*        U   4  23.657  11.762  14.995
  136    H2*    U   4           H2*        U   4  22.608   9.846  13.899
  137   2HO*    U   4          H2**        U   4  20.489  11.667  13.679
  138    H1*    U   4           H1*        U   4  21.739  11.882  11.824
  139    H3     U   4           H3         U   4  19.235   8.789   9.590
  140    H5     U   4           H5         U   4  22.321   6.500  11.306
  141    H6     U   4           H6         U   4  23.184   8.511  12.282
  142   1H5*    A   5          H5*         A   5  19.621  15.231  15.066
  143   2H5*    A   5          H5**        A   5  18.750  13.691  15.152
  144    H4*    A   5           H4*        A   5  20.366  14.670  12.776
  145    H3*    A   5           H3*        A   5  18.030  15.855  13.226
  146    H2*    A   5           H2*        A   5  17.044  13.730  13.868
  147   2HO*    A   5          H2**        A   5  15.708  13.197  11.835
  148    H1*    A   5           H1*        A   5  18.035  12.899  11.071
  149    H8     A   5           H8         A   5  18.947  10.480  13.699
  150   1H6     A   5          H61         A   5  14.212   6.966  11.773
  151   2H6     A   5          H62         A   5  15.657   7.012  12.757
  152    H2     A   5           H2         A   5  13.735  10.992   9.919
  153   1H5*    A   6          H5*         A   6  18.109  18.906  12.298
  154   2H5*    A   6          H5**        A   6  17.321  17.345  12.079
  155    H4*    A   6           H4*        A   6  16.781  19.896  10.562
  156    H3*    A   6           H3*        A   6  15.488  19.347  12.810
  157    H2*    A   6           H2*        A   6  15.444  16.927  12.100
  158   2HO*    A   6          H2**        A   6  13.453  16.369  12.290
  159    H1*    A   6           H1*        A   6  13.901  18.052   9.767
  160    H8     A   6           H8         A   6  16.246  15.238  10.768
  161   1H6     A   6          H61         A   6  14.688  11.848   7.538
  162   2H6     A   6          H62         A   6  13.510  11.968   6.268
  163    H2     A   6           H2         A   6  11.829  16.063   6.193
  164   1H5*    C   7          H5*         C   7  12.319  19.357   9.184
  165   2H5*    C   7          H5**        C   7  10.895  20.265   9.722
  166    H4*    C   7           H4*        C   7  10.276  18.295   8.417
  167    H3*    C   7           H3*        C   7   9.390  17.913  11.366
  168    H2*    C   7           H2*        C   7   8.208  16.095  10.442
  169   2HO*    C   7          H2**        C   7   7.469  16.970   8.644
  170    H1*    C   7           H1*        C   7  10.327  15.178   9.102
  171   1H4     C   7          H41         C   7  11.409  12.321  14.683
  172   2H4     C   7          H42         C   7  11.948  13.823  15.400
  173    H5     C   7           H5         C   7  11.903  15.933  14.208
  174    H6     C   7           H6         C   7  11.321  17.029  12.136
  175   1H5*    A   8          H5*         A   8   5.847  19.655   9.332
  176   2H5*    A   8          H5**        A   8   4.629  20.226  10.491
  177    H4*    A   8           H4*        A   8   4.235  17.888   9.623
  178    H3*    A   8           H3*        A   8   4.812  18.109  12.625
  179    H2*    A   8           H2*        A   8   4.199  15.716  12.621
  180   2HO*    A   8          H2**        A   8   2.915  15.073  11.307
  181    H1*    A   8           H1*        A   8   6.022  15.250  10.649
  182    H8     A   8           H8         A   8   7.529  17.992  12.678
  183   1H6     A   8          H61         A   8   9.537  13.483  16.422
  184   2H6     A   8          H62         A   8   9.572  15.209  16.120
  185    H2     A   8           H2         A   8   6.557  11.694  13.617
  186   1H5*    C   9          H5*         C   9   1.125  15.877  11.812
  187   2H5*    C   9          H5**        C   9  -0.126  16.307  13.002
  188    H4*    C   9           H4*        C   9   0.306  13.880  13.044
  189    H3*    C   9           H3*        C   9   1.269  15.434  15.494
  190    H2*    C   9           H2*        C   9   1.771  13.244  16.459
  191   2HO*    C   9          H2**        C   9   0.703  11.702  15.933
  192    H1*    C   9           H1*        C   9   3.187  12.516  14.349
  193   1H4     C   9          H41         C   9   7.545  15.754  17.624
  194   2H4     C   9          H42         C   9   7.027  17.265  16.904
  195    H5     C   9           H5         C   9   5.043  17.420  15.502
  196    H6     C   9           H6         C   9   3.252  16.173  14.460
  197   1H5*    C  10          H5*         C  10  -0.928  12.153  16.343
  198   2H5*    C  10          H5**        C  10  -2.316  12.274  17.435
  199    H4*    C  10           H4*        C  10  -0.746  10.391  17.936
  200    H3*    C  10           H3*        C  10  -2.005  11.584  19.952
  201    H2*    C  10           H2*        C  10  -0.454  13.529  19.708
  202   2HO*    C  10          H2**        C  10   0.385  12.103  22.007
  203    H1*    C  10           H1*        C  10   1.627  11.383  20.223
  204   1H4     C  10          H41         C  10   5.846  16.128  19.827
  205   2H4     C  10          H42         C  10   4.938  16.945  18.575
  206    H5     C  10           H5         C  10   2.726  16.186  17.879
  207    H6     C  10           H6         C  10   1.085  14.408  18.082
  208    H3T    C  10           H3T        C  10  -0.777  10.368  21.404
  Start of MODEL    4
    1   1H5*    G   1          H5*         G   1  12.591  14.824  27.317
    2   2H5*    G   1          H5**        G   1  12.603  14.542  29.073
    3    H4*    G   1           H4*        G   1  11.793  12.265  28.747
    4    H3*    G   1           H3*        G   1  11.769  12.931  25.758
    5    H2*    G   1           H2*        G   1  10.086  11.094  25.730
    6   2HO*    G   1          H2**        G   1  10.449  11.011  28.533
    7    H1*    G   1           H1*        G   1   8.640  12.475  27.463
    8    H8     G   1           H8         G   1  10.595  15.275  25.909
    9    H1     G   1           H1         G   1   5.963  13.047  22.093
   10   1H2     G   1          H21         G   1   5.199  11.121  22.877
   11   2H2     G   1          H22         G   1   5.756  10.401  24.378
   12    H5T    G   1           H5T        G   1  13.884  12.733  27.451
   13   1H5*    G   2          H5*         G   2  11.225   8.930  26.086
   14   2H5*    G   2          H5**        G   2  12.280   8.015  24.988
   15    H4*    G   2           H4*        G   2   9.908   7.405  24.709
   16    H3*    G   2           H3*        G   2  11.051   8.916  22.307
   17    H2*    G   2           H2*        G   2   8.954   8.118  21.238
   18   2HO*    G   2          H2**        G   2   8.345   6.988  23.757
   19    H1*    G   2           H1*        G   2   7.562   9.288  23.104
   20    H8     G   2           H8         G   2  10.595  11.444  23.260
   21    H1     G   2           H1         G   2   6.903  12.650  18.177
   22   1H2     G   2          H21         G   2   5.352  10.847  17.914
   23   2H2     G   2          H22         G   2   5.299   9.593  19.119
   24   1H5*    U   3          H5*         U   3   8.866   5.532  21.245
   25   2H5*    U   3          H5**        U   3   9.808   4.496  20.152
   26    H4*    U   3           H4*        U   3   7.563   4.865  19.256
   27    H3*    U   3           H3*        U   3   9.758   6.313  17.697
   28    H2*    U   3           H2*        U   3   7.959   6.583  16.010
   29   2HO*    U   3          H2**        U   3   6.326   5.208  17.859
   30    H1*    U   3           H1*        U   3   6.409   7.725  17.844
   31    H3     U   3           H3         U   3   8.424  11.345  15.808
   32    H5     U   3           H5         U   3  10.964  10.230  18.952
   33    H6     U   3           H6         U   3   9.675   8.272  19.266
   34   1H5*    G   4          H5*         G   4   7.522   3.621  15.264
   35   2H5*    G   4          H5**        G   4   8.557   2.719  14.132
   36    H4*    G   4           H4*        G   4   6.776   3.932  12.926
   37    H3*    G   4           H3*        G   4   9.618   4.998  12.515
   38    H2*    G   4           H2*        G   4   8.628   6.462  10.850
   39   2HO*    G   4          H2**        G   4   6.183   5.153  11.422
   40    H1*    G   4           H1*        G   4   6.745   7.321  12.516
   41    H8     G   4           H8         G   4   9.762   6.477  14.699
   42    H1     G   4           H1         G   4   9.803  12.425  12.349
   43   1H2     G   4          H21         G   4   8.090  12.610  10.697
   44   2H2     G   4          H22         G   4   7.050  11.250  10.376
   45    HN1  PSU   5           HN1      PSU   5  13.181   5.645  11.071
   46    HN3  PSU   5           HN3      PSU   5  14.086   9.458   9.858
   47    H6   PSU   5           H6       PSU   5  11.019   5.763   9.757
   48    H1*  PSU   5           H1*      PSU   5   9.795   8.897   8.394
   49    H2*  PSU   5           H2*      PSU   5  11.302   7.872   6.491
   50   *HO2  PSU   5          *HO2      PSU   5   9.922   8.938   5.562
   51    H3*  PSU   5           H3*      PSU   5  10.936   5.597   7.231
   52    H4*  PSU   5           H4*      PSU   5   7.955   6.278   7.111
   53   1H5*  PSU   5          1H5*      PSU   5   7.743   4.727   8.988
   54   2H5*  PSU   5          2H5*      PSU   5   8.551   3.895   7.640
   55   1H5*    A   6          H5*         A   6   9.842   8.102   3.898
   56   2H5*    A   6          H5**        A   6  10.744   7.750   2.410
   57    H4*    A   6           H4*        A   6  11.056  10.096   3.148
   58    H3*    A   6           H3*        A   6  13.566   8.368   3.353
   59    H2*    A   6           H2*        A   6  14.686  10.515   3.860
   60   2HO*    A   6          H2**        A   6  13.398  12.405   3.969
   61    H1*    A   6           H1*        A   6  13.102  10.864   5.952
   62    H8     A   6           H8         A   6  12.897   7.135   5.320
   63   1H6     A   6          H61         A   6  17.901   6.475   8.850
   64   2H6     A   6          H62         A   6  16.626   5.670   7.970
   65    H2     A   6           H2         A   6  17.332  10.885   8.080
   66   1H5*    G   7          H5*         G   7  14.343  12.112   1.619
   67   2H5*    G   7          H5**        G   7  15.416  11.982   0.208
   68    H4*    G   7           H4*        G   7  16.358  13.529   1.874
   69    H3*    G   7           H3*        G   7  17.858  10.879   1.631
   70    H2*    G   7           H2*        G   7  19.571  12.042   3.000
   71   2HO*    G   7          H2**        G   7  19.132  14.112   3.725
   72    H1*    G   7           H1*        G   7  17.759  12.469   4.878
   73    H8     G   7           H8         G   7  16.306   9.476   3.060
   74    H1     G   7           H1         G   7  20.774   7.897   7.339
   75   1H2     G   7          H21         G   7  21.895   9.879   8.055
   76   2H2     G   7          H22         G   7  21.385  11.432   7.449
   77   1H5*    U   8          H5*         U   8  20.695  13.861   1.452
   78   2H5*    U   8          H5**        U   8  21.744  13.598   0.038
   79    H4*    U   8           H4*        U   8  23.108  13.733   2.067
   80    H3*    U   8           H3*        U   8  22.876  10.912   0.907
   81    H2*    U   8           H2*        U   8  24.695  10.410   2.478
   82   2HO*    U   8          H2**        U   8  25.965  11.925   2.628
   83    H1*    U   8           H1*        U   8  23.317  11.444   4.501
   84    H3     U   8           H3         U   8  22.690   6.924   4.819
   85    H5     U   8           H5         U   8  19.746   8.227   2.147
   86    H6     U   8           H6         U   8  20.772  10.382   2.128
   87   1H5*    A   9          H5*         A   9  27.019  12.411   0.119
   88   2H5*    A   9          H5**        A   9  27.775  11.569  -1.253
   89    H4*    A   9           H4*        A   9  28.948  11.136   0.871
   90    H3*    A   9           H3*        A   9  27.502   8.676  -0.213
   91    H2*    A   9           H2*        A   9  28.856   7.511   1.513
   92   2HO*    A   9          H2**        A   9  30.110   8.769   2.890
   93    H1*    A   9           H1*        A   9  27.733   9.057   3.350
   94    H8     A   9           H8         A   9  25.146   9.268   0.602
   95   1H6     A   9          H61         A   9  22.972   3.862   2.727
   96   2H6     A   9          H62         A   9  22.606   5.249   1.725
   97    H2     A   9           H2         A   9  26.869   4.671   4.754
   98    H3T    A   9           H3T        A   9  29.541   8.234  -1.046
   99   1H5*    U   1          H5*         U   1  26.407  -4.222   4.501
  100   2H5*    U   1          H5**        U   1  27.969  -4.868   3.950
  101    H4*    U   1           H4*        U   1  29.165  -3.167   5.227
  102    H3*    U   1           H3*        U   1  26.403  -2.106   6.027
  103    H2*    U   1           H2*        U   1  27.739  -0.037   6.394
  104   2HO*    U   1          H2**        U   1  29.665  -1.176   7.054
  105    H1*    U   1           H1*        U   1  28.673  -0.232   3.893
  106    H3     U   1           H3         U   1  25.292   2.832   3.720
  107    H5     U   1           H5         U   1  23.400  -0.879   3.272
  108    H6     U   1           H6         U   1  25.476  -1.951   3.786
  109    H5T    U   1           H5T        U   1  27.589  -4.507   6.642
  110   1H5*    A   2          H5*         A   2  29.155  -0.456   8.794
  111   2H5*    A   2          H5**        A   2  28.442  -0.453  10.422
  112    H4*    A   2           H4*        A   2  29.067   1.828   9.693
  113    H3*    A   2           H3*        A   2  26.036   1.412   9.823
  114    H2*    A   2           H2*        A   2  26.006   3.856   9.613
  115   2HO*    A   2          H2**        A   2  27.516   4.964  10.181
  116    H1*    A   2           H1*        A   2  27.629   3.749   7.497
  117    H8     A   2           H8         A   2  25.470   0.632   7.253
  118   1H6     A   2          H61         A   2  21.172   4.442   4.840
  119   2H6     A   2          H62         A   2  21.579   2.755   5.098
  120    H2     A   2           H2         A   2  24.482   6.940   6.428
  121   1H5*    C   3          H5*         C   3  27.643   4.807  12.023
  122   2H5*    C   3          H5**        C   3  26.829   5.009  13.589
  123    H4*    C   3           H4*        C   3  26.885   7.127  12.317
  124    H3*    C   3           H3*        C   3  24.087   5.916  12.591
  125    H2*    C   3           H2*        C   3  23.358   8.101  11.724
  126   2HO*    C   3          H2**        C   3  24.493   9.712  12.015
  127    H1*    C   3           H1*        C   3  25.095   7.954   9.699
  128   1H4     C   3          H41         C   3  19.992   5.168   7.232
  129   2H4     C   3          H42         C   3  20.554   3.587   7.720
  130    H5     C   3           H5         C   3  22.502   3.324   9.235
  131    H6     C   3           H6         C   3  24.271   4.497  10.385
  132   1H5*    U   4          H5*         U   4  25.020   9.829  13.658
  133   2H5*    U   4          H5**        U   4  24.575  10.421  15.265
  134    H4*    U   4           H4*        U   4  24.213  12.060  13.422
  135    H3*    U   4           H3*        U   4  22.583  11.972  15.509
  136    H2*    U   4           H2*        U   4  21.482  10.017  14.556
  137   2HO*    U   4          H2**        U   4  19.603  12.056  14.106
  138    H1*    U   4           H1*        U   4  20.974  11.858  12.192
  139    H3     U   4           H3         U   4  18.965   8.813   9.429
  140    H5     U   4           H5         U   4  20.698   6.440  12.420
  141    H6     U   4           H6         U   4  21.600   8.418  13.401
  142   1H5*    A   5          H5*         A   5  18.948  15.374  16.030
  143   2H5*    A   5          H5**        A   5  18.361  13.711  15.924
  144    H4*    A   5           H4*        A   5  19.247  15.467  13.603
  145    H3*    A   5           H3*        A   5  16.534  14.458  14.556
  146    H2*    A   5           H2*        A   5  15.838  14.613  12.261
  147   2HO*    A   5          H2**        A   5  17.000  16.390  11.584
  148    H1*    A   5           H1*        A   5  17.732  12.987  11.485
  149    H8     A   5           H8         A   5  17.741  11.912  14.974
  150   1H6     A   5          H61         A   5  12.432   8.898  14.054
  151   2H6     A   5          H62         A   5  13.912   8.943  14.973
  152    H2     A   5           H2         A   5  13.212  11.494  10.430
  153   1H5*    A   6          H5*         A   6  17.291  18.652  12.276
  154   2H5*    A   6          H5**        A   6  15.921  19.672  12.762
  155    H4*    A   6           H4*        A   6  16.514  20.049  10.441
  156    H3*    A   6           H3*        A   6  13.887  19.738  11.162
  157    H2*    A   6           H2*        A   6  14.097  17.312  10.562
  158   2HO*    A   6          H2**        A   6  12.571  18.842   8.958
  159    H1*    A   6           H1*        A   6  15.360  18.512   8.079
  160    H8     A   6           H8         A   6  16.360  15.355   9.986
  161   1H6     A   6          H61         A   6  15.234  12.034   6.388
  162   2H6     A   6          H62         A   6  14.284  12.290   4.958
  163    H2     A   6           H2         A   6  13.362  16.544   4.423
  164   1H5*    C   7          H5*         C   7  10.413  21.114  10.261
  165   2H5*    C   7          H5**        C   7  11.447  19.796  10.832
  166    H4*    C   7           H4*        C   7   9.356  19.618   8.631
  167    H3*    C   7           H3*        C   7   9.121  18.560  11.533
  168    H2*    C   7           H2*        C   7   7.776  16.884  10.605
  169   2HO*    C   7          H2**        C   7   6.656  17.949   9.138
  170    H1*    C   7           H1*        C   7   9.549  16.136   8.858
  171   1H4     C   7          H41         C   7  11.755  13.366  14.214
  172   2H4     C   7          H42         C   7  12.845  14.743  14.357
  173    H5     C   7           H5         C   7  12.719  16.693  13.114
  174    H6     C   7           H6         C   7  11.681  17.808  11.243
  175   1H5*    A   8          H5*         A   8   5.199  20.277  10.454
  176   2H5*    A   8          H5**        A   8   4.139  20.596  11.842
  177    H4*    A   8           H4*        A   8   3.723  18.388  10.674
  178    H3*    A   8           H3*        A   8   4.674  18.210  13.580
  179    H2*    A   8           H2*        A   8   4.238  15.798  13.288
  180   2HO*    A   8          H2**        A   8   2.890  15.196  12.022
  181    H1*    A   8           H1*        A   8   5.837  15.758  11.106
  182    H8     A   8           H8         A   8   7.429  18.390  13.181
  183   1H6     A   8          H61         A   8  10.104  13.764  16.316
  184   2H6     A   8          H62         A   8  10.096  15.493  16.036
  185    H2     A   8           H2         A   8   6.907  11.996  13.730
  186   1H5*    C   9          H5*         C   9   1.149  15.798  12.620
  187   2H5*    C   9          H5**        C   9  -0.068  15.885  13.913
  188    H4*    C   9           H4*        C   9   0.531  13.544  13.443
  189    H3*    C   9           H3*        C   9   1.512  14.603  16.140
  190    H2*    C   9           H2*        C   9   2.118  12.229  16.576
  191   2HO*    C   9          H2**        C   9   1.771  10.733  14.955
  192    H1*    C   9           H1*        C   9   3.580  12.168  14.379
  193   1H4     C   9          H41         C   9   7.782  15.213  18.053
  194   2H4     C   9          H42         C   9   7.109  16.755  17.572
  195    H5     C   9           H5         C   9   5.054  16.944  16.313
  196    H6     C   9           H6         C   9   3.329  15.726  15.143
  197   1H5*    C  10          H5*         C  10  -0.182  11.104  16.544
  198   2H5*    C  10          H5**        C  10  -1.578  10.925  17.623
  199    H4*    C  10           H4*        C  10   0.207   9.209  17.942
  200    H3*    C  10           H3*        C  10  -1.161  10.042  20.070
  201    H2*    C  10           H2*        C  10   0.156  12.169  20.024
  202   2HO*    C  10          H2**        C  10   1.166  10.608  22.161
  203    H1*    C  10           H1*        C  10   2.477  10.230  20.290
  204   1H4     C  10          H41         C  10   6.104  15.428  20.444
  205   2H4     C  10          H42         C  10   5.178  16.230  19.192
  206    H5     C  10           H5         C  10   3.107  15.260  18.303
  207    H6     C  10           H6         C  10   1.667  13.305  18.327
  208    H3T    C  10           H3T        C  10   0.228   8.848  21.398
  Start of MODEL    5
    1   1H5*    G   1          H5*         G   1  12.855  13.708  29.460
    2   2H5*    G   1          H5**        G   1  13.963  12.755  28.454
    3    H4*    G   1           H4*        G   1  11.745  11.676  28.691
    4    H3*    G   1           H3*        G   1  12.242  12.713  25.849
    5    H2*    G   1           H2*        G   1  10.305  11.277  25.366
    6   2HO*    G   1          H2**        G   1   9.800   9.771  26.495
    7    H1*    G   1           H1*        G   1   8.927  12.418  27.374
    8    H8     G   1           H8         G   1  11.020  15.221  25.938
    9    H1     G   1           H1         G   1   6.021  13.573  22.282
   10   1H2     G   1          H21         G   1   5.160  11.658  23.023
   11   2H2     G   1          H22         G   1   5.779  10.802  24.425
   12    H5T    G   1           H5T        G   1  13.996  14.977  27.941
   13   1H5*    G   2          H5*         G   2  11.138   8.570  26.110
   14   2H5*    G   2          H5**        G   2  12.010   7.566  24.934
   15    H4*    G   2           H4*        G   2   9.556   7.248  24.773
   16    H3*    G   2           H3*        G   2  10.816   8.655  22.368
   17    H2*    G   2           H2*        G   2   8.627   8.299  21.331
   18   2HO*    G   2          H2**        G   2   7.383   6.902  21.941
   19    H1*    G   2           H1*        G   2   7.414   9.454  23.353
   20    H8     G   2           H8         G   2  10.656  11.348  23.358
   21    H1     G   2           H1         G   2   6.762  12.962  18.549
   22   1H2     G   2          H21         G   2   5.060  11.291  18.353
   23   2H2     G   2          H22         G   2   4.949  10.042  19.562
   24   1H5*    U   3          H5*         U   3   8.141   5.360  21.547
   25   2H5*    U   3          H5**        U   3   8.848   4.256  20.351
   26    H4*    U   3           H4*        U   3   6.535   4.828  19.744
   27    H3*    U   3           H3*        U   3   8.660   6.033  17.910
   28    H2*    U   3           H2*        U   3   6.714   6.500  16.438
   29   2HO*    U   3          H2**        U   3   4.672   5.972  17.169
   30    H1*    U   3           H1*        U   3   5.560   7.843  18.420
   31    H3     U   3           H3         U   3   7.791  11.183  16.150
   32    H5     U   3           H5         U   3  10.539   9.670  18.923
   33    H6     U   3           H6         U   3   9.032   7.899  19.410
   34   1H5*    G   4          H5*         G   4   5.978   3.847  15.473
   35   2H5*    G   4          H5**        G   4   6.914   2.796  14.384
   36    H4*    G   4           H4*        G   4   5.411   4.233  13.082
   37    H3*    G   4           H3*        G   4   8.380   4.939  12.867
   38    H2*    G   4           H2*        G   4   7.661   6.452  11.074
   39   2HO*    G   4          H2**        G   4   5.492   6.549  10.535
   40    H1*    G   4           H1*        G   4   5.858   7.596  12.652
   41    H8     G   4           H8         G   4   8.515   6.357  15.073
   42    H1     G   4           H1         G   4   9.756  12.126  12.612
   43   1H2     G   4          H21         G   4   8.226  12.548  10.830
   44   2H2     G   4          H22         G   4   7.041  11.344  10.404
   45    HN1  PSU   5           HN1      PSU   5  11.359   5.766  12.093
   46    HN3  PSU   5           HN3      PSU   5  11.351   9.830  11.542
   47    H6   PSU   5           H6       PSU   5   9.896   5.506  10.041
   48    H1*  PSU   5           H1*      PSU   5   8.507   8.505   8.365
   49    H2*  PSU   5           H2*      PSU   5  10.522   7.485   6.994
   50   *HO2  PSU   5          *HO2      PSU   5   8.473   6.969   5.497
   51    H3*  PSU   5           H3*      PSU   5  10.157   5.234   7.815
   52    H4*  PSU   5           H4*      PSU   5   7.230   5.606   6.995
   53   1H5*  PSU   5          1H5*      PSU   5   6.739   4.229   8.975
   54   2H5*  PSU   5          2H5*      PSU   5   7.846   3.368   7.879
   55   1H5*    A   6          H5*         A   6   9.520   7.414   4.255
   56   2H5*    A   6          H5**        A   6  10.515   7.021   2.841
   57    H4*    A   6           H4*        A   6  10.616   9.433   3.524
   58    H3*    A   6           H3*        A   6  13.247   7.896   3.772
   59    H2*    A   6           H2*        A   6  14.186  10.156   4.193
   60   2HO*    A   6          H2**        A   6  12.688  11.912   4.333
   61    H1*    A   6           H1*        A   6  12.616  10.388   6.292
   62    H8     A   6           H8         A   6  12.522   6.676   5.931
   63   1H6     A   6          H61         A   6  18.018   6.350   8.683
   64   2H6     A   6          H62         A   6  16.594   5.477   8.175
   65    H2     A   6           H2         A   6  17.212  10.683   7.742
   66   1H5*    G   7          H5*         G   7  13.915  11.564   2.105
   67   2H5*    G   7          H5**        G   7  14.953  11.506   0.665
   68    H4*    G   7           H4*        G   7  15.823  13.078   2.354
   69    H3*    G   7           H3*        G   7  17.572  10.584   2.005
   70    H2*    G   7           H2*        G   7  19.184  11.933   3.326
   71   2HO*    G   7          H2**        G   7  18.341  13.995   2.508
   72    H1*    G   7           H1*        G   7  17.421  12.068   5.271
   73    H8     G   7           H8         G   7  16.098   9.017   3.524
   74    H1     G   7           H1         G   7  21.220   7.788   7.146
   75   1H2     G   7          H21         G   7  22.227   9.857   7.785
   76   2H2     G   7          H22         G   7  21.511  11.360   7.274
   77   1H5*    U   8          H5*         U   8  19.993  13.868   1.844
   78   2H5*    U   8          H5**        U   8  21.038  13.800   0.411
   79    H4*    U   8           H4*        U   8  22.380  14.117   2.433
   80    H3*    U   8           H3*        U   8  22.649  11.327   1.209
   81    H2*    U   8           H2*        U   8  24.622  11.217   2.730
   82   2HO*    U   8          H2**        U   8  25.009  12.945   4.087
   83    H1*    U   8           H1*        U   8  23.022  11.762   4.778
   84    H3     U   8           H3         U   8  23.258   7.165   4.666
   85    H5     U   8           H5         U   8  19.899   8.191   2.389
   86    H6     U   8           H6         U   8  20.557  10.468   2.490
   87   1H5*    A   9          H5*         A   9  26.499  13.263   0.827
   88   2H5*    A   9          H5**        A   9  27.341  12.735  -0.649
   89    H4*    A   9           H4*        A   9  28.613  12.164   1.374
   90    H3*    A   9           H3*        A   9  27.441   9.713  -0.019
   91    H2*    A   9           H2*        A   9  28.984   8.504   1.489
   92   2HO*    A   9          H2**        A   9  30.150   9.702   2.993
   93    H1*    A   9           H1*        A   9  27.781   9.647   3.559
   94    H8     A   9           H8         A   9  25.031   9.905   1.008
   95   1H6     A   9          H61         A   9  23.678   4.001   2.391
   96   2H6     A   9          H62         A   9  23.078   5.453   1.617
   97    H2     A   9           H2         A   9  27.581   5.008   4.304
   98    H3T    A   9           H3T        A   9  29.483   9.654  -0.953
   99   1H5*    U   1          H5*         U   1  28.226  -3.986   4.386
  100   2H5*    U   1          H5**        U   1  29.955  -4.129   3.994
  101    H4*    U   1           H4*        U   1  30.476  -2.211   5.403
  102    H3*    U   1           H3*        U   1  27.458  -1.997   5.908
  103    H2*    U   1           H2*        U   1  28.104   0.314   6.454
  104   2HO*    U   1          H2**        U   1  29.895   0.769   7.075
  105    H1*    U   1           H1*        U   1  29.589   0.452   4.179
  106    H3     U   1           H3         U   1  25.994   3.139   3.501
  107    H5     U   1           H5         U   1  24.508  -0.723   2.856
  108    H6     U   1           H6         U   1  26.606  -1.605   3.620
  109    H5T    U   1           H5T        U   1  29.214  -4.019   6.635
  110   1H5*    A   2          H5*         A   2  30.010  -0.004   8.912
  111   2H5*    A   2          H5**        A   2  29.204  -0.014  10.496
  112    H4*    A   2           H4*        A   2  29.819   2.277   9.821
  113    H3*    A   2           H3*        A   2  26.802   1.784   9.744
  114    H2*    A   2           H2*        A   2  26.715   4.230   9.557
  115   2HO*    A   2          H2**        A   2  28.157   5.369  10.231
  116    H1*    A   2           H1*        A   2  28.424   4.181   7.514
  117    H8     A   2           H8         A   2  26.381   0.962   7.288
  118   1H6     A   2          H61         A   2  22.052   4.472   4.564
  119   2H6     A   2          H62         A   2  22.561   2.822   4.864
  120    H2     A   2           H2         A   2  25.211   7.188   6.138
  121   1H5*    C   3          H5*         C   3  28.134   5.208  12.100
  122   2H5*    C   3          H5**        C   3  27.187   5.327  13.598
  123    H4*    C   3           H4*        C   3  27.210   7.480  12.404
  124    H3*    C   3           H3*        C   3  24.498   6.067  12.356
  125    H2*    C   3           H2*        C   3  23.694   8.228  11.512
  126   2HO*    C   3          H2**        C   3  24.637   9.886  12.045
  127    H1*    C   3           H1*        C   3  25.573   8.257   9.622
  128   1H4     C   3          H41         C   3  20.797   5.047   6.945
  129   2H4     C   3          H42         C   3  21.504   3.524   7.424
  130    H5     C   3           H5         C   3  23.306   3.429   9.119
  131    H6     C   3           H6         C   3  24.930   4.741  10.340
  132   1H5*    U   4          H5*         U   4  24.761   9.987  13.753
  133   2H5*    U   4          H5**        U   4  24.114  10.273  15.377
  134    H4*    U   4           H4*        U   4  23.591  12.078  13.769
  135    H3*    U   4           H3*        U   4  21.837  11.329  15.627
  136    H2*    U   4           H2*        U   4  21.101   9.473  14.230
  137   2HO*    U   4          H2**        U   4  19.018  11.240  13.623
  138    H1*    U   4           H1*        U   4  20.616  11.611  12.128
  139    H3     U   4           H3         U   4  18.938   8.658   9.078
  140    H5     U   4           H5         U   4  21.405   6.262  11.485
  141    H6     U   4           H6         U   4  21.949   8.205  12.765
  142   1H5*    A   5          H5*         A   5  17.863  14.805  14.794
  143   2H5*    A   5          H5**        A   5  16.922  13.317  14.611
  144    H4*    A   5           H4*        A   5  19.237  14.142  12.827
  145    H3*    A   5           H3*        A   5  17.027  15.584  12.535
  146    H2*    A   5           H2*        A   5  15.668  13.558  12.919
  147   2HO*    A   5          H2**        A   5  15.385  13.987  10.157
  148    H1*    A   5           H1*        A   5  17.313  12.634  10.511
  149    H8     A   5           H8         A   5  17.482   9.908  12.814
  150   1H6     A   5          H61         A   5  14.209   6.940  10.756
  151   2H6     A   5          H62         A   5  12.937   7.193   9.582
  152    H2     A   5           H2         A   5  13.033  11.523   8.448
  153   1H5*    A   6          H5*         A   6  19.382  18.399   9.382
  154   2H5*    A   6          H5**        A   6  18.924  19.318  10.828
  155    H4*    A   6           H4*        A   6  17.586  19.973   8.930
  156    H3*    A   6           H3*        A   6  16.375  19.606  11.302
  157    H2*    A   6           H2*        A   6  16.147  17.182  10.732
  158   2HO*    A   6          H2**        A   6  13.692  18.526  10.461
  159    H1*    A   6           H1*        A   6  14.772  18.310   8.288
  160    H8     A   6           H8         A   6  16.864  15.335   9.412
  161   1H6     A   6          H61         A   6  13.510  12.008   5.345
  162   2H6     A   6          H62         A   6  14.708  11.844   6.584
  163    H2     A   6           H2         A   6  12.150  16.226   5.167
  164   1H5*    C   7          H5*         C   7  11.237  20.739  10.941
  165   2H5*    C   7          H5**        C   7  12.057  19.341  11.664
  166    H4*    C   7           H4*        C   7  10.416  19.352   9.116
  167    H3*    C   7           H3*        C   7   9.698  18.223  11.907
  168    H2*    C   7           H2*        C   7   8.391  16.678  10.722
  169   2HO*    C   7          H2**        C   7   7.594  17.892   9.144
  170    H1*    C   7           H1*        C   7  10.380  15.877   9.229
  171   1H4     C   7          H41         C   7  11.646  12.765  14.658
  172   2H4     C   7          H42         C   7  12.819  13.995  15.072
  173    H5     C   7           H5         C   7  13.145  16.002  13.740
  174    H6     C   7           H6         C   7  12.398  17.242  11.827
  175   1H5*    A   8          H5*         A   8   6.110  20.346  10.490
  176   2H5*    A   8          H5**        A   8   4.953  20.715  11.785
  177    H4*    A   8           H4*        A   8   4.465  18.612  10.490
  178    H3*    A   8           H3*        A   8   5.109  18.180  13.455
  179    H2*    A   8           H2*        A   8   4.321  15.854  12.908
  180   2HO*    A   8          H2**        A   8   2.813  16.537  11.280
  181    H1*    A   8           H1*        A   8   6.252  15.743  11.028
  182    H8     A   8           H8         A   8   7.882  18.176  13.245
  183   1H6     A   8          H61         A   8   9.770  13.361  16.617
  184   2H6     A   8          H62         A   8   9.887  15.093  16.390
  185    H2     A   8           H2         A   8   6.576  11.898  13.830
  186   1H5*    C   9          H5*         C   9   1.491  16.209  12.550
  187   2H5*    C   9          H5**        C   9   0.264  16.460  13.814
  188    H4*    C   9           H4*        C   9   0.736  14.064  13.511
  189    H3*    C   9           H3*        C   9   1.735  15.241  16.151
  190    H2*    C   9           H2*        C   9   2.183  12.870  16.748
  191   2HO*    C   9          H2**        C   9   1.201  12.281  14.165
  192    H1*    C   9           H1*        C   9   3.685  12.587  14.590
  193   1H4     C   9          H41         C   9   7.885  15.525  18.328
  194   2H4     C   9          H42         C   9   7.444  17.075  17.642
  195    H5     C   9           H5         C   9   5.584  17.326  16.095
  196    H6     C   9           H6         C   9   3.821  16.170  14.915
  197   1H5*    C  10          H5*         C  10  -0.202  11.891  16.691
  198   2H5*    C  10          H5**        C  10  -1.624  11.835  17.749
  199    H4*    C  10           H4*        C  10   0.063  10.040  18.172
  200    H3*    C  10           H3*        C  10  -1.308  11.024  20.231
  201    H2*    C  10           H2*        C  10   0.116  13.084  20.124
  202   2HO*    C  10          H2**        C  10   0.991  11.577  22.358
  203    H1*    C  10           H1*        C  10   2.318  11.042  20.545
  204   1H4     C  10          H41         C  10   6.244  16.008  20.627
  205   2H4     C  10          H42         C  10   5.381  16.843  19.350
  206    H5     C  10           H5         C  10   3.310  15.946  18.393
  207    H6     C  10           H6         C  10   1.755  14.079  18.430
  208    H3T    C  10           H3T        C  10  -0.106   9.042  20.264
  Start of MODEL    6
    1   1H5*    G   1          H5*         G   1  12.399  15.949  27.361
    2   2H5*    G   1          H5**        G   1  12.122  15.372  29.021
    3    H4*    G   1           H4*        G   1  11.607  13.135  28.199
    4    H3*    G   1           H3*        G   1  12.003  14.285  25.384
    5    H2*    G   1           H2*        G   1  10.594  12.354  24.806
    6   2HO*    G   1          H2**        G   1  10.503  10.758  25.915
    7    H1*    G   1           H1*        G   1   8.837  13.022  26.749
    8    H8     G   1           H8         G   1  10.067  16.290  25.283
    9    H1     G   1           H1         G   1   5.853  13.205  21.569
   10   1H2     G   1          H21         G   1   5.540  11.146  22.331
   11   2H2     G   1          H22         G   1   6.349  10.519  23.757
   12    H5T    G   1           H5T        G   1  13.853  13.970  27.418
   13   1H5*    G   2          H5*         G   2  12.190   9.993  25.714
   14   2H5*    G   2          H5**        G   2  13.368   9.271  24.599
   15    H4*    G   2           H4*        G   2  11.123   8.245  24.359
   16    H3*    G   2           H3*        G   2  12.014   9.921  21.960
   17    H2*    G   2           H2*        G   2  10.061   8.927  20.867
   18   2HO*    G   2          H2**        G   2   9.299   7.214  21.460
   19    H1*    G   2           H1*        G   2   8.481   9.686  22.829
   20    H8     G   2           H8         G   2  11.067  12.433  22.827
   21    H1     G   2           H1         G   2   6.851  12.866  18.037
   22   1H2     G   2          H21         G   2   5.677  10.790  17.866
   23   2H2     G   2          H22         G   2   5.923   9.566  19.080
   24   1H5*    U   3          H5*         U   3  10.539   5.919  21.205
   25   2H5*    U   3          H5**        U   3  11.545   5.046  20.032
   26    H4*    U   3           H4*        U   3   9.159   4.918  19.428
   27    H3*    U   3           H3*        U   3  10.886   6.589  17.532
   28    H2*    U   3           H2*        U   3   8.894   6.591  16.093
   29   2HO*    U   3          H2**        U   3   7.682   5.043  18.124
   30    H1*    U   3           H1*        U   3   7.395   7.538  18.064
   31    H3     U   3           H3         U   3   8.515  11.449  15.949
   32    H5     U   3           H5         U   3  11.683  10.673  18.564
   33    H6     U   3           H6         U   3  10.755   8.527  19.007
   34   1H5*    G   4          H5*         G   4   8.508   3.821  15.488
   35   2H5*    G   4          H5**        G   4   9.418   2.847  14.310
   36    H4*    G   4           H4*        G   4   7.498   3.970  13.230
   37    H3*    G   4           H3*        G   4  10.294   4.911  12.431
   38    H2*    G   4           H2*        G   4   9.238   6.418  10.895
   39   2HO*    G   4          H2**        G   4   7.696   4.949  10.219
   40    H1*    G   4           H1*        G   4   7.447   7.349  12.613
   41    H8     G   4           H8         G   4  10.639   6.552  14.535
   42    H1     G   4           H1         G   4  10.377  12.520  12.255
   43   1H2     G   4          H21         G   4   8.581  12.682  10.705
   44   2H2     G   4          H22         G   4   7.485  11.340  10.529
   45    HN1  PSU   5           HN1      PSU   5  13.134   5.404  10.514
   46    HN3  PSU   5           HN3      PSU   5  13.027   9.487  10.531
   47    H6   PSU   5           H6       PSU   5  10.957   5.372   9.240
   48    H1*  PSU   5           H1*      PSU   5   9.025   8.469   8.686
   49    H2*  PSU   5           H2*      PSU   5  10.528   7.987   6.603
   50   *HO2  PSU   5          *HO2      PSU   5   7.723   7.644   6.682
   51    H3*  PSU   5           H3*      PSU   5  10.710   5.632   7.118
   52    H4*  PSU   5           H4*      PSU   5   7.648   5.635   7.059
   53   1H5*  PSU   5          1H5*      PSU   5   7.767   3.935   8.807
   54   2H5*  PSU   5          2H5*      PSU   5   8.723   3.390   7.415
   55   1H5*    A   6          H5*         A   6   9.592   8.410   4.244
   56   2H5*    A   6          H5**        A   6  10.611   8.334   2.791
   57    H4*    A   6           H4*        A   6  10.756  10.541   3.894
   58    H3*    A   6           H3*        A   6  13.332   8.910   4.069
   59    H2*    A   6           H2*        A   6  14.283  11.053   4.938
   60   2HO*    A   6          H2**        A   6  12.858  12.817   5.185
   61    H1*    A   6           H1*        A   6  12.536  10.939   6.943
   62    H8     A   6           H8         A   6  12.403   7.348   5.972
   63   1H6     A   6          H61         A   6  17.581   6.406   9.138
   64   2H6     A   6          H62         A   6  16.223   5.686   8.311
   65    H2     A   6           H2         A   6  16.985  10.886   8.762
   66   1H5*    G   7          H5*         G   7  14.260  12.818   3.071
   67   2H5*    G   7          H5**        G   7  15.348  12.880   1.668
   68    H4*    G   7           H4*        G   7  16.285  14.146   3.558
   69    H3*    G   7           H3*        G   7  17.782  11.551   2.921
   70    H2*    G   7           H2*        G   7  19.483  12.479   4.456
   71   2HO*    G   7          H2**        G   7  19.034  14.410   5.506
   72    H1*    G   7           H1*        G   7  17.675  12.591   6.359
   73    H8     G   7           H8         G   7  15.984   9.966   4.324
   74    H1     G   7           H1         G   7  20.937   7.680   7.645
   75   1H2     G   7          H21         G   7  22.243   9.512   8.446
   76   2H2     G   7          H22         G   7  21.728  11.146   8.131
   77   1H5*    U   8          H5*         U   8  20.691  14.429   3.360
   78   2H5*    U   8          H5**        U   8  21.705  14.434   1.899
   79    H4*    U   8           H4*        U   8  23.111  14.158   3.890
   80    H3*    U   8           H3*        U   8  22.826  11.631   2.190
   81    H2*    U   8           H2*        U   8  24.671  10.807   3.573
   82   2HO*    U   8          H2**        U   8  25.975  12.129   4.185
   83    H1*    U   8           H1*        U   8  23.350  11.413   5.800
   84    H3     U   8           H3         U   8  22.773   6.911   5.091
   85    H5     U   8           H5         U   8  19.639   8.776   3.029
   86    H6     U   8           H6         U   8  20.673  10.880   3.427
   87   1H5*    A   9          H5*         A   9  27.011  13.012   2.291
   88   2H5*    A   9          H5**        A   9  27.839  12.627   0.764
   89    H4*    A   9           H4*        A   9  28.982  11.615   2.689
   90    H3*    A   9           H3*        A   9  27.594   9.551   0.915
   91    H2*    A   9           H2*        A   9  28.949   7.954   2.241
   92   2HO*    A   9          H2**        A   9  30.719   9.414   2.612
   93    H1*    A   9           H1*        A   9  27.792   8.891   4.440
   94    H8     A   9           H8         A   9  25.217   9.847   1.837
   95   1H6     A   9          H61         A   9  23.014   4.086   2.424
   96   2H6     A   9          H62         A   9  22.693   5.683   1.781
   97    H2     A   9           H2         A   9  26.923   4.285   4.586
   98    H3T    A   9           H3T        A   9  29.143  10.895  -0.095
   99   1H5*    U   1          H5*         U   1  26.457  -5.183   3.109
  100   2H5*    U   1          H5**        U   1  25.754  -5.389   4.725
  101    H4*    U   1           H4*        U   1  27.789  -3.988   4.766
  102    H3*    U   1           H3*        U   1  25.235  -2.411   5.375
  103    H2*    U   1           H2*        U   1  26.871  -0.694   6.095
  104   2HO*    U   1          H2**        U   1  28.851  -2.560   5.317
  105    H1*    U   1           H1*        U   1  28.026  -0.805   3.701
  106    H3     U   1           H3         U   1  25.128   2.733   3.518
  107    H5     U   1           H5         U   1  22.810  -0.605   2.516
  108    H6     U   1           H6         U   1  24.650  -2.012   3.107
  109    H5T    U   1           H5T        U   1  24.184  -4.922   3.144
  110   1H5*    A   2          H5*         A   2  28.062  -1.636   8.455
  111   2H5*    A   2          H5**        A   2  27.233  -1.601  10.029
  112    H4*    A   2           H4*        A   2  28.432   0.515   9.609
  113    H3*    A   2           H3*        A   2  25.388   0.781   9.482
  114    H2*    A   2           H2*        A   2  25.874   3.184   9.488
  115   2HO*    A   2          H2**        A   2  27.513   3.888  10.272
  116    H1*    A   2           H1*        A   2  27.493   2.916   7.416
  117    H8     A   2           H8         A   2  24.977   0.123   6.933
  118   1H6     A   2          H61         A   2  21.179   4.522   4.741
  119   2H6     A   2          H62         A   2  21.449   2.791   4.814
  120    H2     A   2           H2         A   2  24.732   6.542   6.500
  121   1H5*    C   3          H5*         C   3  27.321   3.579  12.154
  122   2H5*    C   3          H5**        C   3  26.390   3.796  13.652
  123    H4*    C   3           H4*        C   3  26.922   5.965  12.587
  124    H3*    C   3           H3*        C   3  23.955   5.221  12.515
  125    H2*    C   3           H2*        C   3  23.668   7.532  11.726
  126   2HO*    C   3          H2**        C   3  24.981   8.918  12.212
  127    H1*    C   3           H1*        C   3  25.445   7.178   9.807
  128   1H4     C   3          H41         C   3  20.047   5.072   7.225
  129   2H4     C   3          H42         C   3  20.519   3.420   7.537
  130    H5     C   3           H5         C   3  22.350   2.896   9.124
  131    H6     C   3           H6         C   3  24.215   3.823  10.346
  132   1H5*    U   4          H5*         U   4  25.188   8.860  13.924
  133   2H5*    U   4          H5**        U   4  24.655   9.448  15.505
  134    H4*    U   4           H4*        U   4  24.687  11.167  13.712
  135    H3*    U   4           H3*        U   4  22.828  11.216  15.615
  136    H2*    U   4           H2*        U   4  21.510   9.544  14.414
  137   2HO*    U   4          H2**        U   4  20.330  12.050  13.911
  138    H1*    U   4           H1*        U   4  21.642  11.465  12.070
  139    H3     U   4           H3         U   4  18.882   8.741   9.590
  140    H5     U   4           H5         U   4  20.967   6.065  12.056
  141    H6     U   4           H6         U   4  22.091   7.930  13.044
  142   1H5*    A   5          H5*         A   5  21.820  14.240  11.711
  143   2H5*    A   5          H5**        A   5  21.251  15.683  12.577
  144    H4*    A   5           H4*        A   5  20.011  15.389  10.508
  145    H3*    A   5           H3*        A   5  18.275  14.720  12.936
  146    H2*    A   5           H2*        A   5  16.489  14.866  11.265
  147   2HO*    A   5          H2**        A   5  17.307  16.564  10.102
  148    H1*    A   5           H1*        A   5  17.769  13.133   9.674
  149    H8     A   5           H8         A   5  18.768  12.191  13.211
  150   1H6     A   5          H61         A   5  13.302   9.327  13.709
  151   2H6     A   5          H62         A   5  14.907   9.492  14.373
  152    H2     A   5           H2         A   5  13.268  11.648   9.869
  153   1H5*    A   6          H5*         A   6  17.870  19.170  10.334
  154   2H5*    A   6          H5**        A   6  17.275  20.071  11.746
  155    H4*    A   6           H4*        A   6  16.307  20.858   9.635
  156    H3*    A   6           H3*        A   6  14.691  20.777  11.767
  157    H2*    A   6           H2*        A   6  14.528  18.360  11.490
  158   2HO*    A   6          H2**        A   6  12.127  19.545  10.669
  159    H1*    A   6           H1*        A   6  13.443  19.003   8.723
  160    H8     A   6           H8         A   6  15.107  16.389  11.024
  161   1H6     A   6          H61         A   6  14.324  12.466   8.353
  162   2H6     A   6          H62         A   6  13.637  12.221   6.743
  163    H2     A   6           H2         A   6  12.571  16.210   5.115
  164   1H5*    C   7          H5*         C   7   9.471  21.294  10.358
  165   2H5*    C   7          H5**        C   7  10.415  20.179  11.364
  166    H4*    C   7           H4*        C   7   9.258  19.593   8.619
  167    H3*    C   7           H3*        C   7   8.358  18.496  11.371
  168    H2*    C   7           H2*        C   7   7.635  16.619  10.149
  169   2HO*    C   7          H2**        C   7   6.975  17.841   8.271
  170    H1*    C   7           H1*        C   7   9.970  16.289   8.968
  171   1H4     C   7          H41         C   7  11.715  13.532  14.388
  172   2H4     C   7          H42         C   7  11.848  15.072  15.211
  173    H5     C   7           H5         C   7  11.319  17.199  14.104
  174    H6     C   7           H6         C   7  10.490  18.204  12.085
  175   1H5*    A   8          H5*         A   8   4.565  19.281   9.491
  176   2H5*    A   8          H5**        A   8   3.257  19.506  10.671
  177    H4*    A   8           H4*        A   8   3.445  17.162   9.753
  178    H3*    A   8           H3*        A   8   3.999  17.444  12.754
  179    H2*    A   8           H2*        A   8   4.003  14.973  12.679
  180   2HO*    A   8          H2**        A   8   2.895  14.070  11.360
  181    H1*    A   8           H1*        A   8   5.846  15.030  10.686
  182    H8     A   8           H8         A   8   6.715  18.028  12.673
  183   1H6     A   8          H61         A   8   9.738  14.134  16.434
  184   2H6     A   8          H62         A   8   9.372  15.823  16.131
  185    H2     A   8           H2         A   8   7.174  11.695  13.720
  186   1H5*    C   9          H5*         C   9   0.972  14.383  11.878
  187   2H5*    C   9          H5**        C   9  -0.339  14.448  13.079
  188    H4*    C   9           H4*        C   9   0.683  12.200  13.019
  189    H3*    C   9           H3*        C   9   1.227  13.829  15.550
  190    H2*    C   9           H2*        C   9   2.272  11.794  16.418
  191   2HO*    C   9          H2**        C   9   1.662  10.051  15.793
  192    H1*    C   9           H1*        C   9   3.828  11.560  14.300
  193   1H4     C   9          H41         C   9   7.189  15.670  17.763
  194   2H4     C   9          H42         C   9   6.324  17.027  17.071
  195    H5     C   9           H5         C   9   4.399  16.726  15.610
  196    H6     C   9           H6         C   9   2.988  15.104  14.502
  197   1H5*    C  10          H5*         C  10  -0.018  10.038  16.211
  198   2H5*    C  10          H5**        C  10  -1.384   9.729  17.294
  199    H4*    C  10           H4*        C  10   0.633   8.306  17.710
  200    H3*    C  10           H3*        C  10  -0.894   9.004  19.772
  201    H2*    C  10           H2*        C  10   0.079  11.305  19.654
  202   2HO*    C  10          H2**        C  10   1.257  10.011  21.881
  203    H1*    C  10           H1*        C  10   2.660   9.766  20.078
  204   1H4     C  10          H41         C  10   5.466  15.477  19.970
  205   2H4     C  10          H42         C  10   4.367  16.088  18.753
  206    H5     C  10           H5         C  10   2.432  14.806  17.999
  207    H6     C  10           H6         C  10   1.324  12.647  18.095
  208    H3T    C  10           H3T        C  10   0.628   8.090  21.173
  Start of MODEL    7
    1   1H5*    G   1          H5*         G   1  12.229  15.076  27.627
    2   2H5*    G   1          H5**        G   1  12.072  14.854  29.384
    3    H4*    G   1           H4*        G   1  11.234  12.586  29.059
    4    H3*    G   1           H3*        G   1  11.501  13.141  26.057
    5    H2*    G   1           H2*        G   1   9.784  11.323  25.961
    6   2HO*    G   1          H2**        G   1  10.576  10.243  27.890
    7    H1*    G   1           H1*        G   1   8.230  12.798  27.512
    8    H8     G   1           H8         G   1  10.304  15.541  26.033
    9    H1     G   1           H1         G   1   5.995  13.192  21.922
   10   1H2     G   1          H21         G   1   5.180  11.282  22.694
   11   2H2     G   1          H22         G   1   5.612  10.609  24.258
   12    H5T    G   1           H5T        G   1  13.447  12.960  27.952
   13   1H5*    G   2          H5*         G   2  10.805   9.165  26.342
   14   2H5*    G   2          H5**        G   2  11.979   8.224  25.400
   15    H4*    G   2           H4*        G   2   9.643   7.688  24.765
   16    H3*    G   2           H3*        G   2  11.197   9.188  22.597
   17    H2*    G   2           H2*        G   2   9.295   8.531  21.191
   18   2HO*    G   2          H2**        G   2   8.149   6.991  21.623
   19    H1*    G   2           H1*        G   2   7.583   9.521  22.952
   20    H8     G   2           H8         G   2  10.512  11.851  23.323
   21    H1     G   2           H1         G   2   7.118  12.785  17.976
   22   1H2     G   2          H21         G   2   5.668  10.907  17.659
   23   2H2     G   2          H22         G   2   5.595   9.676  18.886
   24   1H5*    U   3          H5*         U   3   9.141   5.555  21.442
   25   2H5*    U   3          H5**        U   3  10.196   4.529  20.452
   26    H4*    U   3           H4*        U   3   7.986   4.765  19.401
   27    H3*    U   3           H3*        U   3  10.264   6.183  17.919
   28    H2*    U   3           H2*        U   3   8.618   6.493  16.156
   29   2HO*    U   3          H2**        U   3   7.337   5.014  15.927
   30    H1*    U   3           H1*        U   3   6.831   7.519  17.819
   31    H3     U   3           H3         U   3   8.693  11.272  15.920
   32    H5     U   3           H5         U   3  11.279  10.224  19.038
   33    H6     U   3           H6         U   3  10.066   8.198  19.329
   34   1H5*    G   4          H5*         G   4   8.265   3.021  15.545
   35   2H5*    G   4          H5**        G   4   9.434   2.135  14.537
   36    H4*    G   4           H4*        G   4   7.630   3.111  13.160
   37    H3*    G   4           H3*        G   4  10.414   4.340  12.803
   38    H2*    G   4           H2*        G   4   9.450   5.698  11.071
   39   2HO*    G   4          H2**        G   4   7.282   5.414  10.499
   40    H1*    G   4           H1*        G   4   7.416   6.503  12.562
   41    H8     G   4           H8         G   4  10.394   5.888  14.899
   42    H1     G   4           H1         G   4  10.069  11.813  12.539
   43   1H2     G   4          H21         G   4   8.424  11.876  10.810
   44   2H2     G   4          H22         G   4   7.459  10.464  10.487
   45    HN1  PSU   5           HN1      PSU   5  13.637   5.386  10.796
   46    HN3  PSU   5           HN3      PSU   5  13.450   9.374   9.888
   47    H6   PSU   5           H6       PSU   5  11.407   5.043   9.653
   48    H1*  PSU   5           H1*      PSU   5   9.309   7.836   8.675
   49    H2*  PSU   5           H2*      PSU   5  10.768   7.397   6.535
   50   *HO2  PSU   5          *HO2      PSU   5   8.737   6.781   5.444
   51    H3*  PSU   5           H3*      PSU   5  11.253   5.118   7.238
   52    H4*  PSU   5           H4*      PSU   5   8.199   4.816   7.283
   53   1H5*  PSU   5          1H5*      PSU   5   8.472   3.254   9.100
   54   2H5*  PSU   5          2H5*      PSU   5   9.489   2.694   7.755
   55   1H5*    A   6          H5*         A   6   9.671   7.501   4.088
   56   2H5*    A   6          H5**        A   6  10.676   7.397   2.627
   57    H4*    A   6           H4*        A   6  10.550   9.704   3.493
   58    H3*    A   6           H3*        A   6  13.323   8.453   3.761
   59    H2*    A   6           H2*        A   6  13.975  10.774   4.365
   60   2HO*    A   6          H2**        A   6  12.253  12.321   4.545
   61    H1*    A   6           H1*        A   6  12.327  10.698   6.425
   62    H8     A   6           H8         A   6  12.668   7.030   5.635
   63   1H6     A   6          H61         A   6  17.669   6.793   9.132
   64   2H6     A   6          H62         A   6  16.495   5.919   8.180
   65    H2     A   6           H2         A   6  16.600  11.170   8.607
   66   1H5*    G   7          H5*         G   7  13.887  12.269   2.273
   67   2H5*    G   7          H5**        G   7  15.053  12.285   0.934
   68    H4*    G   7           H4*        G   7  15.772  13.763   2.782
   69    H3*    G   7           H3*        G   7  17.497  11.264   2.444
   70    H2*    G   7           H2*        G   7  19.007  12.432   4.043
   71   2HO*    G   7          H2**        G   7  17.414  14.310   4.919
   72    H1*    G   7           H1*        G   7  17.048  12.471   5.788
   73    H8     G   7           H8         G   7  15.683   9.636   3.821
   74    H1     G   7           H1         G   7  20.608   7.883   7.480
   75   1H2     G   7          H21         G   7  21.765   9.842   8.209
   76   2H2     G   7          H22         G   7  21.117  11.416   7.838
   77   1H5*    U   8          H5*         U   8  20.109  14.354   2.846
   78   2H5*    U   8          H5**        U   8  21.266  14.361   1.497
   79    H4*    U   8           H4*        U   8  22.451  14.385   3.643
   80    H3*    U   8           H3*        U   8  22.677  11.730   2.136
   81    H2*    U   8           H2*        U   8  24.458  11.281   3.825
   82   2HO*    U   8          H2**        U   8  24.843  12.811   5.395
   83    H1*    U   8           H1*        U   8  22.711  11.744   5.773
   84    H3     U   8           H3         U   8  22.574   7.181   5.168
   85    H5     U   8           H5         U   8  19.554   8.751   2.731
   86    H6     U   8           H6         U   8  20.397  10.934   3.147
   87   1H5*    A   9          H5*         A   9  26.194  13.102   3.227
   88   2H5*    A   9          H5**        A   9  27.452  13.353   2.003
   89    H4*    A   9           H4*        A   9  28.204  12.102   4.032
   90    H3*    A   9           H3*        A   9  29.271  11.470   1.678
   91    H2*    A   9           H2*        A   9  27.138  10.304   1.078
   92   2HO*    A   9          H2**        A   9  29.026   8.281   1.686
   93    H1*    A   9           H1*        A   9  27.793   8.712   3.578
   94    H8     A   9           H8         A   9  24.518  10.126   1.972
   95   1H6     A   9          H61         A   9  22.489   4.267   2.403
   96   2H6     A   9          H62         A   9  22.036   5.899   1.958
   97    H2     A   9           H2         A   9  26.704   4.372   3.845
   98    H3T    A   9           H3T        A   9  30.163  10.856   3.714
   99   1H5*    U   1          H5*         U   1  26.071  -5.196   5.234
  100   2H5*    U   1          H5**        U   1  25.132  -4.323   4.006
  101    H4*    U   1           H4*        U   1  27.813  -3.427   5.122
  102    H3*    U   1           H3*        U   1  25.013  -2.290   5.628
  103    H2*    U   1           H2*        U   1  26.342  -0.289   6.216
  104   2HO*    U   1          H2**        U   1  28.176  -0.433   6.833
  105    H1*    U   1           H1*        U   1  27.678  -0.468   3.900
  106    H3     U   1           H3         U   1  24.671   2.927   3.430
  107    H5     U   1           H5         U   1  22.456  -0.539   2.648
  108    H6     U   1           H6         U   1  24.341  -1.847   3.339
  109    H5T    U   1           H5T        U   1  26.420  -5.984   3.121
  110   1H5*    A   2          H5*         A   2  28.015  -1.238   8.709
  111   2H5*    A   2          H5**        A   2  27.225  -1.065  10.292
  112    H4*    A   2           H4*        A   2  28.495   0.967   9.691
  113    H3*    A   2           H3*        A   2  25.464   1.361   9.649
  114    H2*    A   2           H2*        A   2  26.065   3.745   9.469
  115   2HO*    A   2          H2**        A   2  27.829   4.418  10.039
  116    H1*    A   2           H1*        A   2  27.518   3.242   7.326
  117    H8     A   2           H8         A   2  24.891   0.486   7.309
  118   1H6     A   2          H61         A   2  21.104   4.687   4.798
  119   2H6     A   2          H62         A   2  21.356   2.974   5.061
  120    H2     A   2           H2         A   2  24.811   6.808   6.098
  121   1H5*    C   3          H5*         C   3  27.436   4.392  11.859
  122   2H5*    C   3          H5**        C   3  26.608   4.715  13.398
  123    H4*    C   3           H4*        C   3  26.971   6.794  12.112
  124    H3*    C   3           H3*        C   3  24.041   5.939  12.331
  125    H2*    C   3           H2*        C   3  23.587   8.152  11.366
  126   2HO*    C   3          H2**        C   3  24.893   9.634  11.627
  127    H1*    C   3           H1*        C   3  25.270   7.712   9.366
  128   1H4     C   3          H41         C   3  19.876   5.203   7.203
  129   2H4     C   3          H42         C   3  20.443   3.600   7.603
  130    H5     C   3           H5         C   3  22.393   3.262   9.083
  131    H6     C   3           H6         C   3  24.265   4.352  10.147
  132   1H5*    U   4          H5*         U   4  25.351   9.678  13.288
  133   2H5*    U   4          H5**        U   4  25.009  10.419  14.857
  134    H4*    U   4           H4*        U   4  24.894  11.960  12.911
  135    H3*    U   4           H3*        U   4  23.283  12.302  14.991
  136    H2*    U   4           H2*        U   4  21.792  10.543  14.126
  137   2HO*    U   4          H2**        U   4  20.636  13.054  13.642
  138    H1*    U   4           H1*        U   4  21.661  12.232  11.610
  139    H3     U   4           H3         U   4  18.676   9.299   9.632
  140    H5     U   4           H5         U   4  20.947   6.873  12.192
  141    H6     U   4           H6         U   4  22.154   8.813  12.885
  142   1H5*    A   5          H5*         A   5  19.704  16.061  14.024
  143   2H5*    A   5          H5**        A   5  19.405  14.339  14.354
  144    H4*    A   5           H4*        A   5  18.935  15.729  11.698
  145    H3*    A   5           H3*        A   5  16.932  14.722  13.778
  146    H2*    A   5           H2*        A   5  15.410  14.701  11.835
  147   2HO*    A   5          H2**        A   5  17.023  16.477  10.833
  148    H1*    A   5           H1*        A   5  17.134  13.144  10.541
  149    H8     A   5           H8         A   5  18.019  12.152  13.999
  150   1H6     A   5          H61         A   5  14.507   8.871  14.766
  151   2H6     A   5          H62         A   5  12.910   8.655  14.099
  152    H2     A   5           H2         A   5  12.748  11.250  10.418
  153   1H5*    A   6          H5*         A   6  18.649  19.286   9.825
  154   2H5*    A   6          H5**        A   6  17.924  20.160  11.184
  155    H4*    A   6           H4*        A   6  16.687  20.702   9.242
  156    H3*    A   6           H3*        A   6  15.352  19.899  11.444
  157    H2*    A   6           H2*        A   6  15.585  17.565  10.548
  158   2HO*    A   6          H2**        A   6  12.977  18.538  10.392
  159    H1*    A   6           H1*        A   6  14.309  18.854   8.110
  160    H8     A   6           H8         A   6  16.979  16.132   8.585
  161   1H6     A   6          H61         A   6  13.266  12.421   5.318
  162   2H6     A   6          H62         A   6  14.670  12.419   6.346
  163    H2     A   6           H2         A   6  11.099  16.252   5.992
  164   1H5*    C   7          H5*         C   7  12.125  19.589   8.252
  165   2H5*    C   7          H5**        C   7  10.678  20.479   8.768
  166    H4*    C   7           H4*        C   7  10.088  18.325   7.928
  167    H3*    C   7           H3*        C   7   9.645  18.154  10.992
  168    H2*    C   7           H2*        C   7   8.385  16.258  10.289
  169   2HO*    C   7          H2**        C   7   9.103  16.876   7.638
  170    H1*    C   7           H1*        C   7  10.402  15.373   8.799
  171   1H4     C   7          H41         C   7  11.930  12.690  14.378
  172   2H4     C   7          H42         C   7  12.941  14.069  14.747
  173    H5     C   7           H5         C   7  13.151  15.959  13.271
  174    H6     C   7           H6         C   7  12.321  17.024  11.281
  175   1H5*    A   8          H5*         A   8   5.760  19.592   9.457
  176   2H5*    A   8          H5**        A   8   4.652  20.091  10.750
  177    H4*    A   8           H4*        A   8   4.349  17.720   9.897
  178    H3*    A   8           H3*        A   8   5.144  17.961  12.849
  179    H2*    A   8           H2*        A   8   4.708  15.519  12.823
  180   2HO*    A   8          H2**        A   8   3.412  14.787  11.572
  181    H1*    A   8           H1*        A   8   6.426  15.233  10.745
  182    H8     A   8           H8         A   8   7.873  18.067  12.655
  183   1H6     A   8          H61         A   8  10.339  13.736  16.359
  184   2H6     A   8          H62         A   8  10.345  15.441  15.956
  185    H2     A   8           H2         A   8   7.345  11.738  13.719
  186   1H5*    C   9          H5*         C   9   1.566  15.509  11.992
  187   2H5*    C   9          H5**        C   9   0.318  15.704  13.243
  188    H4*    C   9           H4*        C   9   0.923  13.334  12.958
  189    H3*    C   9           H3*        C   9   1.818  14.563  15.614
  190    H2*    C   9           H2*        C   9   2.403  12.222  16.215
  191   2HO*    C   9          H2**        C   9   1.496  11.578  13.621
  192    H1*    C   9           H1*        C   9   3.947  12.029  14.091
  193   1H4     C   9          H41         C   9   7.956  15.336  17.758
  194   2H4     C   9          H42         C   9   7.293  16.840  17.157
  195    H5     C   9           H5         C   9   5.308  16.930  15.769
  196    H6     C   9           H6         C   9   3.649  15.627  14.604
  197   1H5*    C  10          H5*         C  10   0.101  11.075  16.132
  198   2H5*    C  10          H5**        C  10  -1.318  10.936  17.184
  199    H4*    C  10           H4*        C  10   0.466   9.233  17.598
  200    H3*    C  10           H3*        C  10  -0.959  10.119  19.666
  201    H2*    C  10           H2*        C  10   0.352  12.250  19.593
  202   2HO*    C  10          H2**        C  10   1.408  12.281  21.630
  203    H1*    C  10           H1*        C  10   2.668  10.326  19.975
  204   1H4     C  10          H41         C  10   6.240  15.557  20.173
  205   2H4     C  10          H42         C  10   5.352  16.330  18.874
  206    H5     C  10           H5         C  10   3.342  15.317  17.905
  207    H6     C  10           H6         C  10   1.919  13.351  17.906
  208    H3T    C  10           H3T        C  10   0.411   8.973  21.061
  Start of MODEL    8
    1   1H5*    G   1          H5*         G   1  13.102  14.085  27.382
    2   2H5*    G   1          H5**        G   1  13.071  13.850  29.145
    3    H4*    G   1           H4*        G   1  11.803  11.786  28.884
    4    H3*    G   1           H3*        G   1  11.888  12.360  25.876
    5    H2*    G   1           H2*        G   1   9.855  10.923  25.909
    6   2HO*    G   1          H2**        G   1  10.237  10.823  28.709
    7    H1*    G   1           H1*        G   1   8.756  12.597  27.639
    8    H8     G   1           H8         G   1  11.157  14.947  25.984
    9    H1     G   1           H1         G   1   6.087  13.573  22.324
   10   1H2     G   1          H21         G   1   5.006  11.829  23.157
   11   2H2     G   1          H22         G   1   5.456  11.041  24.661
   12    H5T    G   1           H5T        G   1  13.930  11.772  27.572
   13   1H5*    G   2          H5*         G   2  10.465   8.588  26.232
   14   2H5*    G   2          H5**        G   2  11.319   7.450  25.169
   15    H4*    G   2           H4*        G   2   8.871   7.405  24.785
   16    H3*    G   2           H3*        G   2  10.462   8.615  22.466
   17    H2*    G   2           H2*        G   2   8.334   8.395  21.268
   18   2HO*    G   2          H2**        G   2   6.943   7.113  21.814
   19    H1*    G   2           H1*        G   2   7.053   9.670  23.196
   20    H8     G   2           H8         G   2  10.415  11.348  23.290
   21    H1     G   2           H1         G   2   6.799  13.071  18.299
   22   1H2     G   2          H21         G   2   4.975  11.534  18.113
   23   2H2     G   2          H22         G   2   4.770  10.313  19.336
   24   1H5*    U   3          H5*         U   3   7.615   5.490  21.574
   25   2H5*    U   3          H5**        U   3   8.299   4.300  20.448
   26    H4*    U   3           H4*        U   3   6.067   5.008  19.713
   27    H3*    U   3           H3*        U   3   8.353   6.004  17.947
   28    H2*    U   3           H2*        U   3   6.519   6.554  16.368
   29   2HO*    U   3          H2**        U   3   4.805   5.547  18.377
   30    H1*    U   3           H1*        U   3   5.330   8.001  18.257
   31    H3     U   3           H3         U   3   7.750  11.262  16.088
   32    H5     U   3           H5         U   3  10.373   9.618  18.904
   33    H6     U   3           H6         U   3   8.783   7.907  19.351
   34   1H5*    G   4          H5*         G   4   5.655   3.755  15.420
   35   2H5*    G   4          H5**        G   4   6.636   2.660  14.416
   36    H4*    G   4           H4*        G   4   5.256   4.118  12.983
   37    H3*    G   4           H3*        G   4   8.260   4.693  12.981
   38    H2*    G   4           H2*        G   4   7.808   6.271  11.212
   39   2HO*    G   4          H2**        G   4   6.371   5.842   9.950
   40    H1*    G   4           H1*        G   4   5.799   7.428  12.544
   41    H8     G   4           H8         G   4   8.373   6.251  15.117
   42    H1     G   4           H1         G   4   9.594  12.001  12.599
   43   1H2     G   4          H21         G   4   8.135  12.342  10.739
   44   2H2     G   4          H22         G   4   6.905  11.163  10.381
   45    HN1  PSU   5           HN1      PSU   5  11.305   5.533  12.117
   46    HN3  PSU   5           HN3      PSU   5  11.214   9.605  11.637
   47    H6   PSU   5           H6       PSU   5   9.899   5.275  10.029
   48    H1*  PSU   5           H1*      PSU   5   8.530   8.292   8.332
   49    H2*  PSU   5           H2*      PSU   5  10.585   7.240   7.070
   50   *HO2  PSU   5          *HO2      PSU   5   8.946   8.404   6.077
   51    H3*  PSU   5           H3*      PSU   5  10.157   5.003   7.883
   52    H4*  PSU   5           H4*      PSU   5   7.272   5.378   6.930
   53   1H5*  PSU   5          1H5*      PSU   5   7.833   3.154   7.886
   54   2H5*  PSU   5          1H5*      PSU   5   6.687   4.046   8.917
   55   1H5*    A   6          H5*         A   6   9.585   7.124   4.341
   56   2H5*    A   6          H5**        A   6  10.586   6.751   2.923
   57    H4*    A   6           H4*        A   6  10.613   9.171   3.564
   58    H3*    A   6           H3*        A   6  13.303   7.746   3.859
   59    H2*    A   6           H2*        A   6  14.140  10.059   4.226
   60   2HO*    A   6          H2**        A   6  12.510  11.730   4.347
   61    H1*    A   6           H1*        A   6  12.556  10.261   6.320
   62    H8     A   6           H8         A   6  12.577   6.553   6.078
   63   1H6     A   6          H61         A   6  18.104   6.457   8.770
   64   2H6     A   6          H62         A   6  16.690   5.535   8.322
   65    H2     A   6           H2         A   6  17.205  10.725   7.697
   66   1H5*    G   7          H5*         G   7  13.904  11.408   2.190
   67   2H5*    G   7          H5**        G   7  14.936  11.362   0.746
   68    H4*    G   7           H4*        G   7  15.779  12.960   2.432
   69    H3*    G   7           H3*        G   7  17.582  10.508   2.053
   70    H2*    G   7           H2*        G   7  19.178  11.866   3.374
   71   2HO*    G   7          H2**        G   7  18.335  13.923   2.591
   72    H1*    G   7           H1*        G   7  17.431  11.958   5.334
   73    H8     G   7           H8         G   7  16.107   8.908   3.611
   74    H1     G   7           H1         G   7  21.344   7.719   7.079
   75   1H2     G   7          H21         G   7  22.347   9.795   7.699
   76   2H2     G   7          H22         G   7  21.605  11.293   7.207
   77   1H5*    U   8          H5*         U   8  20.025  13.825   1.956
   78   2H5*    U   8          H5**        U   8  21.005  13.777   0.474
   79    H4*    U   8           H4*        U   8  22.449  14.030   2.440
   80    H3*    U   8           H3*        U   8  22.605  11.272   1.116
   81    H2*    U   8           H2*        U   8  24.562  10.989   2.554
   82   2HO*    U   8          H2**        U   8  25.609  12.595   2.950
   83    H1*    U   8           H1*        U   8  23.157  11.645   4.705
   84    H3     U   8           H3         U   8  23.376   7.052   4.552
   85    H5     U   8           H5         U   8  19.911   8.091   2.436
   86    H6     U   8           H6         U   8  20.568  10.370   2.532
   87   1H5*    A   9          H5*         A   9  26.439  13.428   0.944
   88   2H5*    A   9          H5**        A   9  27.368  13.000  -0.512
   89    H4*    A   9           H4*        A   9  28.634  12.528   1.544
   90    H3*    A   9           H3*        A   9  27.745  10.001   0.079
   91    H2*    A   9           H2*        A   9  29.328   8.901   1.631
   92   2HO*    A   9          H2**        A   9  30.308  10.164   3.211
   93    H1*    A   9           H1*        A   9  27.925   9.867   3.662
   94    H8     A   9           H8         A   9  25.322   9.986   0.921
   95   1H6     A   9          H61         A   9  24.243   4.012   2.141
   96   2H6     A   9          H62         A   9  23.632   5.446   1.346
   97    H2     A   9           H2         A   9  27.942   5.219   4.358
   98    H3T    A   9           H3T        A   9  29.816  10.140  -0.770
   99   1H5*    U   1          H5*         U   1  28.806  -3.834   4.043
  100   2H5*    U   1          H5**        U   1  30.562  -3.970   3.788
  101    H4*    U   1           H4*        U   1  30.970  -2.120   5.320
  102    H3*    U   1           H3*        U   1  27.923  -1.906   5.581
  103    H2*    U   1           H2*        U   1  28.534   0.374   6.282
  104   2HO*    U   1          H2**        U   1  30.284   0.801   7.029
  105    H1*    U   1           H1*        U   1  30.142   0.623   4.116
  106    H3     U   1           H3         U   1  26.492   3.233   3.363
  107    H5     U   1           H5         U   1  25.204  -0.643   2.414
  108    H6     U   1           H6         U   1  27.281  -1.491   3.263
  109    H5T    U   1           H5T        U   1  29.605  -3.969   6.361
  110   1H5*    A   2          H5*         A   2  30.208  -0.056   8.800
  111   2H5*    A   2          H5**        A   2  29.311  -0.099  10.334
  112    H4*    A   2           H4*        A   2  29.982   2.202   9.751
  113    H3*    A   2           H3*        A   2  26.971   1.739   9.506
  114    H2*    A   2           H2*        A   2  26.917   4.195   9.367
  115   2HO*    A   2          H2**        A   2  28.345   5.300  10.121
  116    H1*    A   2           H1*        A   2  28.671   4.159   7.378
  117    H8     A   2           H8         A   2  26.715   0.907   7.031
  118   1H6     A   2          H61         A   2  22.311   4.369   4.359
  119   2H6     A   2          H62         A   2  22.879   2.728   4.595
  120    H2     A   2           H2         A   2  25.368   7.129   6.057
  121   1H5*    C   3          H5*         C   3  28.240   5.082  11.972
  122   2H5*    C   3          H5**        C   3  27.252   5.182  13.446
  123    H4*    C   3           H4*        C   3  27.357   7.364  12.309
  124    H3*    C   3           H3*        C   3  24.620   6.007  12.170
  125    H2*    C   3           H2*        C   3  23.873   8.194  11.338
  126   2HO*    C   3          H2**        C   3  24.840   9.826  11.918
  127    H1*    C   3           H1*        C   3  25.761   8.200   9.473
  128   1H4     C   3          H41         C   3  20.991   4.973   6.789
  129   2H4     C   3          H42         C   3  21.743   3.456   7.220
  130    H5     C   3           H5         C   3  23.538   3.364   8.918
  131    H6     C   3           H6         C   3  25.146   4.680  10.152
  132   1H5*    U   4          H5*         U   4  24.900   9.910  13.624
  133   2H5*    U   4          H5**        U   4  24.256  10.155  15.255
  134    H4*    U   4           H4*        U   4  23.758  12.014  13.705
  135    H3*    U   4           H3*        U   4  21.988  11.238  15.537
  136    H2*    U   4           H2*        U   4  21.250   9.431  14.073
  137   2HO*    U   4          H2**        U   4  19.387  11.430  14.439
  138    H1*    U   4           H1*        U   4  20.770  11.627  12.035
  139    H3     U   4           H3         U   4  19.047   8.723   8.956
  140    H5     U   4           H5         U   4  21.627   6.310  11.236
  141    H6     U   4           H6         U   4  22.154   8.228  12.558
  142   1H5*    A   5          H5*         A   5  18.097  14.790  14.714
  143   2H5*    A   5          H5**        A   5  17.110  13.323  14.636
  144    H4*    A   5           H4*        A   5  19.365  14.023  12.718
  145    H3*    A   5           H3*        A   5  17.153  15.473  12.481
  146    H2*    A   5           H2*        A   5  15.803  13.398  12.996
  147   2HO*    A   5          H2**        A   5  14.905  14.790  11.262
  148    H1*    A   5           H1*        A   5  17.342  12.531  10.522
  149    H8     A   5           H8         A   5  17.544   9.823  12.903
  150   1H6     A   5          H61         A   5  14.240   6.810  10.971
  151   2H6     A   5          H62         A   5  12.961   7.029   9.797
  152    H2     A   5           H2         A   5  13.064  11.306   8.512
  153   1H5*    A   6          H5*         A   6  18.570  18.433   8.813
  154   2H5*    A   6          H5**        A   6  18.460  18.966  10.507
  155    H4*    A   6           H4*        A   6  16.768  20.052   9.089
  156    H3*    A   6           H3*        A   6  16.094  19.249  11.536
  157    H2*    A   6           H2*        A   6  15.890  16.959  10.714
  158   2HO*    A   6          H2**        A   6  13.184  17.299  10.649
  159    H1*    A   6           H1*        A   6  13.874  18.072   8.739
  160    H8     A   6           H8         A   6  16.452  15.303   9.460
  161   1H6     A   6          H61         A   6  14.580  11.806   6.523
  162   2H6     A   6          H62         A   6  13.347  11.888   5.314
  163    H2     A   6           H2         A   6  11.500  15.937   5.415
  164   1H5*    C   7          H5*         C   7  12.346  19.604   8.927
  165   2H5*    C   7          H5**        C   7  11.107  20.577   9.743
  166    H4*    C   7           H4*        C   7  10.130  18.729   8.503
  167    H3*    C   7           H3*        C   7   9.758  18.230  11.548
  168    H2*    C   7           H2*        C   7   8.260  16.597  10.739
  169   2HO*    C   7          H2**        C   7   7.353  17.634   9.092
  170    H1*    C   7           H1*        C   7  10.075  15.551   9.117
  171   1H4     C   7          H41         C   7  11.484  12.679  14.632
  172   2H4     C   7          H42         C   7  12.534  14.007  15.076
  173    H5     C   7           H5         C   7  12.687  16.044  13.781
  174    H6     C   7           H6         C   7  11.939  17.193  11.795
  175   1H5*    A   8          H5*         A   8   6.125  20.409  10.267
  176   2H5*    A   8          H5**        A   8   5.129  20.957  11.629
  177    H4*    A   8           H4*        A   8   4.432  18.749  10.607
  178    H3*    A   8           H3*        A   8   5.356  18.617  13.526
  179    H2*    A   8           H2*        A   8   4.516  16.292  13.348
  180   2HO*    A   8          H2**        A   8   3.050  15.914  12.130
  181    H1*    A   8           H1*        A   8   6.101  15.898  11.172
  182    H8     A   8           H8         A   8   8.068  18.284  13.226
  183   1H6     A   8          H61         A   8   9.859  13.338  16.510
  184   2H6     A   8          H62         A   8  10.103  15.055  16.258
  185    H2     A   8           H2         A   8   6.475  12.074  13.877
  186   1H5*    C   9          H5*         C   9   1.369  16.900  12.828
  187   2H5*    C   9          H5**        C   9   0.263  17.249  14.177
  188    H4*    C   9           H4*        C   9   0.438  14.823  13.791
  189    H3*    C   9           H3*        C   9   1.731  15.793  16.391
  190    H2*    C   9           H2*        C   9   1.947  13.359  16.884
  191   2HO*    C   9          H2**        C   9   1.266  11.900  15.344
  192    H1*    C   9           H1*        C   9   3.276  12.999  14.639
  193   1H4     C   9          H41         C   9   8.040  15.443  18.072
  194   2H4     C   9          H42         C   9   7.607  17.059  17.557
  195    H5     C   9           H5         C   9   5.586  17.534  16.305
  196    H6     C   9           H6         C   9   3.650  16.572  15.235
  197   1H5*    C  10          H5*         C  10  -0.521  12.647  16.988
  198   2H5*    C  10          H5**        C  10  -1.856  12.716  18.152
  199    H4*    C  10           H4*        C  10  -0.360  10.724  18.385
  200    H3*    C  10           H3*        C  10  -1.455  11.766  20.578
  201    H2*    C  10           H2*        C  10   0.187  13.654  20.436
  202   2HO*    C  10          H2**        C  10   1.379  13.451  22.384
  203    H1*    C  10           H1*        C  10   2.167  11.361  20.600
  204   1H4     C  10          H41         C  10   6.579  15.910  20.604
  205   2H4     C  10          H42         C  10   5.741  16.857  19.390
  206    H5     C  10           H5         C  10   3.544  16.200  18.528
  207    H6     C  10           H6         C  10   1.812  14.503  18.611
  208    H3T    C  10           H3T        C  10  -0.215  10.356  21.832
  Start of MODEL    9
    1   1H5*    G   1          H5*         G   1  13.376  14.527  26.986
    2   2H5*    G   1          H5**        G   1  13.354  14.360  28.757
    3    H4*    G   1           H4*        G   1  12.141  12.249  28.578
    4    H3*    G   1           H3*        G   1  12.199  12.712  25.553
    5    H2*    G   1           H2*        G   1  10.219  11.182  25.674
    6   2HO*    G   1          H2**        G   1  10.994  10.031  27.569
    7    H1*    G   1           H1*        G   1   9.068  12.932  27.288
    8    H8     G   1           H8         G   1  11.460  15.233  25.546
    9    H1     G   1           H1         G   1   6.472  13.590  21.884
   10   1H2     G   1          H21         G   1   5.395  11.884  22.797
   11   2H2     G   1          H22         G   1   5.838  11.175  24.341
   12    H5T    G   1           H5T        G   1  14.276  12.253  27.255
   13   1H5*    G   2          H5*         G   2  10.975   8.860  26.150
   14   2H5*    G   2          H5**        G   2  11.866   7.726  25.113
   15    H4*    G   2           H4*        G   2   9.428   7.472  24.868
   16    H3*    G   2           H3*        G   2  10.764   8.652  22.381
   17    H2*    G   2           H2*        G   2   8.564   8.114  21.360
   18   2HO*    G   2          H2**        G   2   7.782   7.261  23.936
   19    H1*    G   2           H1*        G   2   7.377   9.587  23.168
   20    H8     G   2           H8         G   2  10.698  11.271  23.186
   21    H1     G   2           H1         G   2   7.188  12.720  18.038
   22   1H2     G   2          H21         G   2   5.388  11.153  17.879
   23   2H2     G   2          H22         G   2   5.149   9.997  19.159
   24   1H5*    U   3          H5*         U   3   8.115   5.525  21.515
   25   2H5*    U   3          H5**        U   3   8.920   4.306  20.503
   26    H4*    U   3           H4*        U   3   6.750   4.906  19.543
   27    H3*    U   3           H3*        U   3   9.138   5.961  17.944
   28    H2*    U   3           H2*        U   3   7.418   6.369  16.209
   29   2HO*    U   3          H2**        U   3   5.291   5.898  16.683
   30    H1*    U   3           H1*        U   3   6.018   7.820  17.947
   31    H3     U   3           H3         U   3   8.528  11.066  15.856
   32    H5     U   3           H5         U   3  10.892   9.688  19.025
   33    H6     U   3           H6         U   3   9.333   7.937  19.391
   34   1H5*    G   4          H5*         G   4   6.766   3.327  15.437
   35   2H5*    G   4          H5**        G   4   7.849   2.257  14.520
   36    H4*    G   4           H4*        G   4   6.341   3.473  13.007
   37    H3*    G   4           H3*        G   4   9.284   4.300  12.856
   38    H2*    G   4           H2*        G   4   8.611   5.689  10.991
   39   2HO*    G   4          H2**        G   4   6.037   4.541  11.354
   40    H1*    G   4           H1*        G   4   6.609   6.813  12.317
   41    H8     G   4           H8         G   4   9.194   5.915  14.936
   42    H1     G   4           H1         G   4  10.143  11.663  12.311
   43   1H2     G   4          H21         G   4   8.750  11.877  10.386
   44   2H2     G   4          H22         G   4   7.591  10.630  10.015
   45    HN1  PSU   5           HN1      PSU   5  12.765   4.896  11.012
   46    HN3  PSU   5           HN3      PSU   5  13.117   8.780   9.749
   47    H6   PSU   5           H6       PSU   5  10.544   4.731   9.809
   48    H1*  PSU   5           H1*      PSU   5   8.858   7.659   8.501
   49    H2*  PSU   5           H2*      PSU   5  10.422   6.896   6.512
   50   *HO2  PSU   5          *HO2      PSU   5   8.356   6.494   5.313
   51    H3*  PSU   5           H3*      PSU   5  10.516   4.617   7.297
   52    H4*  PSU   5           H4*      PSU   5   7.449   4.733   7.187
   53   1H5*  PSU   5          1H5*      PSU   5   7.444   3.242   9.090
   54   2H5*  PSU   5          2H5*      PSU   5   8.438   2.494   7.819
   55   1H5*    A   6          H5*         A   6   9.205   7.088   3.968
   56   2H5*    A   6          H5**        A   6  10.264   6.932   2.555
   57    H4*    A   6           H4*        A   6  10.157   9.257   3.479
   58    H3*    A   6           H3*        A   6  12.908   7.943   3.670
   59    H2*    A   6           H2*        A   6  13.622  10.186   4.446
   60   2HO*    A   6          H2**        A   6  12.052  11.809   4.677
   61    H1*    A   6           H1*        A   6  11.978  10.011   6.496
   62    H8     A   6           H8         A   6  12.468   6.428   5.222
   63   1H6     A   6          H61         A   6  17.293   6.012   9.037
   64   2H6     A   6          H62         A   6  16.205   5.150   7.975
   65    H2     A   6           H2         A   6  15.860  10.270   9.097
   66   1H5*    G   7          H5*         G   7  13.377  11.840   2.419
   67   2H5*    G   7          H5**        G   7  14.562  12.002   1.105
   68    H4*    G   7           H4*        G   7  15.156  13.419   3.032
   69    H3*    G   7           H3*        G   7  17.054  11.057   2.647
   70    H2*    G   7           H2*        G   7  18.441  12.331   4.296
   71   2HO*    G   7          H2**        G   7  16.825  14.015   5.270
   72    H1*    G   7           H1*        G   7  16.459  12.176   6.000
   73    H8     G   7           H8         G   7  15.439   9.235   3.971
   74    H1     G   7           H1         G   7  20.405   7.958   7.781
   75   1H2     G   7          H21         G   7  21.327  10.018   8.570
   76   2H2     G   7          H22         G   7  20.518  11.516   8.207
   77   1H5*    U   8          H5*         U   8  19.334  14.428   3.018
   78   2H5*    U   8          H5**        U   8  20.577  14.516   1.749
   79    H4*    U   8           H4*        U   8  21.584  14.718   3.968
   80    H3*    U   8           H3*        U   8  22.214  12.062   2.587
   81    H2*    U   8           H2*        U   8  23.898  11.889   4.438
   82   2HO*    U   8          H2**        U   8  22.839  14.358   5.300
   83    H1*    U   8           H1*        U   8  21.949  12.124   6.194
   84    H3     U   8           H3         U   8  22.421   7.576   5.530
   85    H5     U   8           H5         U   8  19.420   8.831   2.895
   86    H6     U   8           H6         U   8  19.963  11.082   3.395
   87   1H5*    A   9          H5*         A   9  25.461  13.836   3.799
   88   2H5*    A   9          H5**        A   9  26.819  14.122   2.696
   89    H4*    A   9           H4*        A   9  27.416  13.060   4.889
   90    H3*    A   9           H3*        A   9  28.833  12.406   2.727
   91    H2*    A   9           H2*        A   9  26.935  10.998   1.939
   92   2HO*    A   9          H2**        A   9  27.966   8.752   2.641
   93    H1*    A   9           H1*        A   9  27.342   9.619   4.608
   94    H8     A   9           H8         A   9  24.033  10.644   2.839
   95   1H6     A   9          H61         A   9  23.080   4.514   2.396
   96   2H6     A   9          H62         A   9  22.355   6.084   2.119
   97    H2     A   9           H2         A   9  27.164   5.159   4.046
   98    H3T    A   9           H3T        A   9  28.682  10.726   5.013
   99   1H5*    U   1          H5*         U   1  28.664  -4.342   4.896
  100   2H5*    U   1          H5**        U   1  27.484  -3.764   3.703
  101    H4*    U   1           H4*        U   1  29.774  -2.122   4.834
  102    H3*    U   1           H3*        U   1  26.764  -1.872   5.362
  103    H2*    U   1           H2*        U   1  27.462   0.385   6.048
  104   2HO*    U   1          H2**        U   1  29.268   0.773   6.677
  105    H1*    U   1           H1*        U   1  28.961   0.627   3.786
  106    H3     U   1           H3         U   1  25.452   3.480   3.364
  107    H5     U   1           H5         U   1  23.861  -0.254   2.343
  108    H6     U   1           H6         U   1  25.925  -1.270   3.038
  109    H5T    U   1           H5T        U   1  29.222  -3.416   2.269
  110   1H5*    A   2          H5*         A   2  29.371  -0.104   8.461
  111   2H5*    A   2          H5**        A   2  28.571  -0.179  10.045
  112    H4*    A   2           H4*        A   2  29.261   2.121   9.489
  113    H3*    A   2           H3*        A   2  26.224   1.769   9.401
  114    H2*    A   2           H2*        A   2  26.285   4.236   9.384
  115   2HO*    A   2          H2**        A   2  27.801   5.232  10.093
  116    H1*    A   2           H1*        A   2  27.892   4.199   7.282
  117    H8     A   2           H8         A   2  25.767   1.062   6.924
  118   1H6     A   2          H61         A   2  21.331   4.863   4.840
  119   2H6     A   2          H62         A   2  21.828   3.185   4.942
  120    H2     A   2           H2         A   2  24.639   7.382   6.428
  121   1H5*    C   3          H5*         C   3  27.645   4.915  11.946
  122   2H5*    C   3          H5**        C   3  26.722   5.019  13.460
  123    H4*    C   3           H4*        C   3  26.932   7.210  12.362
  124    H3*    C   3           H3*        C   3  24.071   6.122  12.342
  125    H2*    C   3           H2*        C   3  23.544   8.451  11.613
  126   2HO*    C   3          H2**        C   3  26.336   8.869  11.699
  127    H1*    C   3           H1*        C   3  25.207   8.183   9.586
  128   1H4     C   3          H41         C   3  20.071   5.218   7.328
  129   2H4     C   3          H42         C   3  20.829   3.674   7.630
  130    H5     C   3           H5         C   3  22.823   3.480   9.076
  131    H6     C   3           H6         C   3  24.563   4.714  10.190
  132   1H5*    U   4          H5*         U   4  24.596   9.928  13.387
  133   2H5*    U   4          H5**        U   4  24.112  10.438  15.011
  134    H4*    U   4           H4*        U   4  23.577  12.066  13.221
  135    H3*    U   4           H3*        U   4  21.960  11.697  15.301
  136    H2*    U   4           H2*        U   4  20.917   9.775  14.212
  137   2HO*    U   4          H2**        U   4  19.020  11.727  13.534
  138    H1*    U   4           H1*        U   4  20.432  11.662  11.887
  139    H3     U   4           H3         U   4  18.099   8.409   9.640
  140    H5     U   4           H5         U   4  20.941   6.246  11.843
  141    H6     U   4           H6         U   4  21.725   8.313  12.757
  142   1H5*    A   5          H5*         A   5  18.271  15.503  14.377
  143   2H5*    A   5          H5**        A   5  17.206  14.089  14.383
  144    H4*    A   5           H4*        A   5  19.449  14.578  12.392
  145    H3*    A   5           H3*        A   5  17.350  16.131  12.081
  146    H2*    A   5           H2*        A   5  15.880  14.371  12.828
  147   2HO*    A   5          H2**        A   5  15.356  14.281  10.069
  148    H1*    A   5           H1*        A   5  16.907  12.619  10.556
  149    H8     A   5           H8         A   5  17.418  11.357  14.023
  150   1H6     A   5          H61         A   5  12.145   8.225  13.569
  151   2H6     A   5          H62         A   5  13.720   8.298  14.311
  152    H2     A   5           H2         A   5  12.394  11.005  10.002
  153   1H5*    A   6          H5*         A   6  19.550  18.536   8.579
  154   2H5*    A   6          H5**        A   6  19.139  19.563   9.961
  155    H4*    A   6           H4*        A   6  17.438  19.781   8.280
  156    H3*    A   6           H3*        A   6  16.794  19.111  10.917
  157    H2*    A   6           H2*        A   6  16.451  16.894  10.237
  158   2HO*    A   6          H2**        A   6  14.537  16.431  10.663
  159    H1*    A   6           H1*        A   6  14.975  18.051   7.850
  160    H8     A   6           H8         A   6  17.092  15.011   8.798
  161   1H6     A   6          H61         A   6  14.057  11.507   6.913
  162   2H6     A   6          H62         A   6  12.793  11.713   5.745
  163    H2     A   6           H2         A   6  11.540  15.966   5.715
  164   1H5*    C   7          H5*         C   7  11.819  20.179   9.433
  165   2H5*    C   7          H5**        C   7  12.778  19.049  10.417
  166    H4*    C   7           H4*        C   7  11.129  18.297   7.992
  167    H3*    C   7           H3*        C   7  10.325  17.779  10.942
  168    H2*    C   7           H2*        C   7   9.002  16.079   9.899
  169   2HO*    C   7          H2**        C   7  10.238  16.522   7.462
  170    H1*    C   7           H1*        C   7  11.147  15.091   8.691
  171   1H4     C   7          H41         C   7  12.061  12.349  14.340
  172   2H4     C   7          H42         C   7  13.159  13.638  14.789
  173    H5     C   7           H5         C   7  13.484  15.613  13.403
  174    H6     C   7           H6         C   7  12.846  16.723  11.368
  175   1H5*    A   8          H5*         A   8   6.735  19.599   9.277
  176   2H5*    A   8          H5**        A   8   5.641  20.223  10.529
  177    H4*    A   8           H4*        A   8   5.105  17.888   9.749
  178    H3*    A   8           H3*        A   8   5.991  18.107  12.676
  179    H2*    A   8           H2*        A   8   5.232  15.753  12.735
  180   2HO*    A   8          H2**        A   8   3.780  15.210  11.558
  181    H1*    A   8           H1*        A   8   6.837  15.197  10.603
  182    H8     A   8           H8         A   8   8.742  17.793  12.400
  183   1H6     A   8          H61         A   8  10.527  13.256  16.247
  184   2H6     A   8          H62         A   8  10.783  14.932  15.799
  185    H2     A   8           H2         A   8   7.198  11.686  13.715
  186   1H5*    C   9          H5*         C   9   2.052  16.246  12.069
  187   2H5*    C   9          H5**        C   9   0.906  16.705  13.350
  188    H4*    C   9           H4*        C   9   1.091  14.255  13.168
  189    H3*    C   9           H3*        C   9   2.302  15.435  15.721
  190    H2*    C   9           H2*        C   9   2.481  13.047  16.416
  191   2HO*    C   9          H2**        C   9   1.839  11.472  14.978
  192    H1*    C   9           H1*        C   9   3.879  12.501  14.242
  193   1H4     C   9          H41         C   9   8.531  15.131  17.678
  194   2H4     C   9          H42         C   9   8.177  16.703  16.991
  195    H5     C   9           H5         C   9   6.211  17.111  15.624
  196    H6     C   9           H6         C   9   4.298  16.098  14.558
  197   1H5*    C  10          H5*         C  10   0.013  12.352  16.479
  198   2H5*    C  10          H5**        C  10  -1.371  12.516  17.577
  199    H4*    C  10           H4*        C  10   0.097  10.545  18.031
  200    H3*    C  10           H3*        C  10  -1.074  11.775  20.083
  201    H2*    C  10           H2*        C  10   0.593  13.628  19.856
  202   2HO*    C  10          H2**        C  10   0.135  13.113  22.061
  203    H1*    C  10           H1*        C  10   2.543  11.342  20.286
  204   1H4     C  10          H41         C  10   7.012  15.829  20.033
  205   2H4     C  10          H42         C  10   6.203  16.701  18.746
  206    H5     C  10           H5         C  10   4.015  16.007  17.894
  207    H6     C  10           H6         C  10   2.261  14.335  18.065
  208    H3T    C  10           H3T        C  10  -0.139   9.658  20.169


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