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
15515 1yg3 6509 cing 1-original 6 MR format nomenclature mapping




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    A   3          1H5*        A   3  26.300  -4.832  26.432
    2   2H5*    A   3          2H5*        A   3  24.611  -5.031  27.004
    3    H4*    A   3           H4*        A   3  24.522  -3.280  25.422
    4    H3*    A   3           H3*        A   3  23.993  -5.671  23.522
    5    H2*    A   3           H2*        A   3  23.551  -4.033  21.903
    6   2HO*    A   3          2HO*        A   3  23.085  -1.969  22.333
    7    H1*    A   3           H1*        A   3  25.938  -2.625  22.484
    8    H8     A   3           H8         A   3  27.304  -5.620  22.688
    9   1H6     A   3          1H6         A   3  28.179  -6.394  17.968
   10   2H6     A   3          2H6         A   3  27.433  -5.760  16.490
   11    H2     A   3           H2         A   3  24.164  -2.977  17.837
   12   1H5*    G   4          1H5*        G   4  21.012  -4.400  23.175
   13   2H5*    G   4          2H5*        G   4  19.325  -4.894  23.444
   14    H4*    G   4           H4*        G   4  19.497  -4.513  21.145
   15    H3*    G   4           H3*        G   4  20.513  -7.510  21.051
   16    H2*    G   4           H2*        G   4  20.476  -7.282  18.673
   17   2HO*    G   4          2HO*        G   4  19.619  -5.427  17.703
   18    H1*    G   4           H1*        G   4  21.577  -4.750  18.740
   19    H8     G   4           H8         G   4  23.759  -6.435  21.048
   20    H1     G   4           H1         G   4  24.760  -7.256  14.729
   21   1H2     G   4          1H2         G   4  21.300  -6.177  14.796
   22   2H2     G   4          2H2         G   4  22.649  -6.671  13.815
   23   1H5*    U   5          1H5*        U   5  16.832  -7.617  18.952
   24   2H5*    U   5          2H5*        U   5  15.759  -8.994  19.257
   25    H4*    U   5           H4*        U   5  16.137  -8.729  16.850
   26    H3*    U   5           H3*        U   5  17.840 -11.127  17.759
   27    H2*    U   5           H2*        U   5  18.184 -11.466  15.411
   28   2HO*    U   5          2HO*        U   5  15.979  -9.771  15.239
   29    H1*    U   5           H1*        U   5  18.728  -8.907  14.902
   30    H3     U   5           H3         U   5  22.920 -10.102  14.610
   31    H5     U   5           H5         U   5  22.307  -9.447  18.726
   32    H6     U   5           H6         U   5  19.886  -9.378  18.286
   33   1H5*    G   6          1H5*        G   6  15.315 -12.529  15.286
   34   2H5*    G   6          2H5*        G   6  14.660 -14.178  15.197
   35    H4*    G   6           H4*        G   6  16.168 -13.794  13.463
   36    H3*    G   6           H3*        G   6  17.263 -15.601  15.562
   37    H2*    G   6           H2*        G   6  19.092 -16.031  14.070
   38   2HO*    G   6          2HO*        G   6  17.215 -15.204  12.196
   39    H1*    G   6           H1*        G   6  19.239 -13.473  13.128
   40    H8     G   6           H8         G   6  19.144 -13.163  16.907
   41    H1     G   6           H1         G   6  25.010 -13.480  14.429
   42   1H2     G   6          1H2         G   6  23.405 -14.826  11.557
   43   2H2     G   6          2H2         G   6  24.905 -14.332  12.310
   44   1H5*    G   7          1H5*        G   7  18.572 -19.958  14.020
   45   2H5*    G   7          2H5*        G   7  18.344 -18.925  15.460
   46    H4*    G   7           H4*        G   7  20.132 -18.016  13.210
   47    H3*    G   7           H3*        G   7  20.561 -20.452  14.824
   48    H2*    G   7           H2*        G   7  22.282 -19.669  16.004
   49   2HO*    G   7          2HO*        G   7  23.171 -19.413  13.427
   50    H1*    G   7           H1*        G   7  22.415 -17.162  14.676
   51    H8     G   7           H8         G   7  20.508 -16.604  17.783
   52    H1     G   7           H1         G   7  26.802 -15.162  17.976
   53   1H2     G   7          1H2         G   7  26.803 -17.335  15.074
   54   2H2     G   7          2H2         G   7  27.736 -16.313  16.139
   55   1H5*   CH   8          1H5*       CH   8  23.357 -23.867  13.291
   56   2H5*   CH   8          2H5*       CH   8  22.751 -22.759  14.573
   57    H4*   CH   8           H4*       CH   8  25.506 -22.483  13.170
   58    H3*   CH   8           H3*       CH   8  24.869 -23.164  16.248
   59    H2*   CH   8           H2*       CH   8  27.162 -22.388  16.458
   60   2HO*   CH   8          2HO*       CH   8  28.377 -21.767  14.491
   61    H1*   CH   8           H1*       CH   8  26.981 -20.673  14.567
   62    HN3   CH   8           HN3       CH   8  28.724 -18.553  17.990
   63   1H4    CH   8          1H4        CH   8  26.256 -17.139  20.036
   64   2H4    CH   8          2H4        CH   8  27.959 -17.085  19.793
   65    H5    CH   8           H5        CH   8  24.619 -18.609  18.964
   66    H6    CH   8           H6        CH   8  24.271 -20.163  17.015
   67   1H5*    G   9          1H5*        G   9  23.001 -26.699  17.277
   68   2H5*    G   9          2H5*        G   9  22.103 -25.175  17.497
   69    H4*    G   9           H4*        G   9  22.795 -26.214  19.651
   70    H3*    G   9           H3*        G   9  23.139 -23.562  18.914
   71    H2*    G   9           H2*        G   9  25.354 -23.509  18.542
   72   2HO*    G   9          2HO*        G   9  24.815 -22.983  21.131
   73    H1*    G   9           H1*        G   9  25.964 -25.551  20.682
   74    H8     G   9           H8         G   9  26.728 -24.454  17.083
   75    H1     G   9           H1         G   9  31.421 -27.716  19.884
   76   1H2     G   9          1H2         G   9  30.749 -28.457  21.863
   77   2H2     G   9          2H2         G   9  29.146 -28.146  22.488
   78   1H5*    C  10          1H5*        C  10  22.947 -23.960  23.702
   79   2H5*    C  10          2H5*        C  10  21.973 -22.663  24.369
   80    H4*    C  10           H4*        C  10  23.884 -22.763  25.880
   81    H3*    C  10           H3*        C  10  25.299 -20.966  23.824
   82    H2*    C  10           H2*        C  10  26.902 -20.787  25.322
   83   2HO*    C  10          2HO*        C  10  26.737 -21.671  27.354
   84    H1*    C  10           H1*        C  10  26.908 -23.548  25.665
   85   1H4     C  10          1H4         C  10  30.012 -24.371  20.135
   86   2H4     C  10          2H4         C  10  31.282 -23.932  21.273
   87    H5     C  10           H5         C  10  27.669 -24.071  20.599
   88    H6     C  10           H6         C  10  26.055 -23.702  22.199
   89   1H5*    C  11          1H5*        C  11  24.102 -16.133  26.825
   90   2H5*    C  11          2H5*        C  11  23.921 -17.052  25.293
   91    H4*    C  11           H4*        C  11  26.234 -17.588  27.209
   92    H3*    C  11           H3*        C  11  26.383 -15.195  25.291
   93    H2*    C  11           H2*        C  11  28.397 -15.930  24.522
   94   2HO*    C  11          2HO*        C  11  29.908 -16.931  25.974
   95    H1*    C  11           H1*        C  11  28.255 -18.569  25.758
   96   1H4     C  11          1H4         C  11  28.991 -20.992  20.068
   97   2H4     C  11          2H4         C  11  30.563 -20.638  20.608
   98    H5     C  11           H5         C  11  26.912 -20.077  21.133
   99    H6     C  11           H6         C  11  26.224 -18.691  22.884
  100   1H5*    G  12          1H5*        G  12  27.669 -10.920  26.506
  101   2H5*    G  12          2H5*        G  12  26.817 -12.218  25.565
  102    H4*    G  12           H4*        G  12  29.846 -12.220  26.277
  103    H3*    G  12           H3*        G  12  28.954 -10.802  23.641
  104    H2*    G  12           H2*        G  12  30.560 -11.851  22.558
  105   2HO*    G  12          2HO*        G  12  31.847 -11.774  24.992
  106    H1*    G  12           H1*        G  12  31.007 -13.954  23.903
  107    H8     G  12           H8         G  12  27.517 -14.543  22.950
  108    H1     G  12           H1         G  12  31.932 -16.909  19.160
  109   1H2     G  12          1H2         G  12  34.210 -14.878  20.927
  110   2H2     G  12          2H2         G  12  33.990 -16.069  19.654
  111   1H5*    A  13          1H5*        A  13  33.745 -11.650  22.866
  112   2H5*    A  13          2H5*        A  13  34.283  -9.973  22.822
  113    H4*    A  13           H4*        A  13  34.119 -11.371  20.524
  114    H3*    A  13           H3*        A  13  33.808  -8.583  20.832
  115    H2*    A  13           H2*        A  13  31.633  -8.282  20.413
  116   2HO*    A  13          2HO*        A  13  31.093  -8.386  18.162
  117    H1*    A  13           H1*        A  13  31.001 -10.738  18.932
  118    H8     A  13           H8         A  13  30.554  -8.810  22.320
  119   1H6     A  13          1H6         A  13  24.551  -9.716  21.803
  120   2H6     A  13          2H6         A  13  25.833  -9.033  22.777
  121    H2     A  13           H2         A  13  26.500 -11.652  18.284
  122   1H5*    C  14          1H5*        C  14  34.530 -13.583  19.430
  123   2H5*    C  14          2H5*        C  14  35.614 -12.868  18.253
  124    H4*    C  14           H4*        C  14  34.934 -14.928  17.268
  125    H3*    C  14           H3*        C  14  33.272 -12.710  16.107
  126    H2*    C  14           H2*        C  14  31.499 -14.159  15.475
  127   2HO*    C  14          2HO*        C  14  33.489 -15.791  14.974
  128    H1*    C  14           H1*        C  14  31.698 -16.123  17.127
  129   1H4     C  14          1H4         C  14  27.719 -12.848  20.784
  130   2H4     C  14          2H4         C  14  26.766 -13.881  19.735
  131    H5     C  14           H5         C  14  30.116 -12.517  20.358
  132    H6     C  14           H6         C  14  31.961 -13.141  18.899
  133   1H5*    C  15          1H5*        C  15  33.926 -13.937  11.187
  134   2H5*    C  15          2H5*        C  15  33.226 -12.359  10.954
  135    H4*    C  15           H4*        C  15  32.062 -14.894  10.375
  136    H3*    C  15           H3*        C  15  30.773 -12.186  10.665
  137    H2*    C  15           H2*        C  15  28.679 -13.240  10.209
  138   2HO*    C  15          2HO*        C  15  29.953 -14.963   8.863
  139    H1*    C  15           H1*        C  15  29.064 -15.509  11.702
  140   1H4     C  15          1H4         C  15  27.549 -12.080  16.917
  141   2H4     C  15          2H4         C  15  25.989 -12.551  16.293
  142    H5     C  15           H5         C  15  29.483 -12.321  15.891
  143    H6     C  15           H6         C  15  30.683 -12.952  13.829
  144   1H5*    A  16          1H5*        A  16  29.381 -13.210   7.115
  145   2H5*    A  16          2H5*        A  16  29.398 -12.038   5.873
  146    H4*    A  16           H4*        A  16  27.108 -12.596   6.254
  147    H3*    A  16           H3*        A  16  27.700  -9.875   7.467
  148    H2*    A  16           H2*        A  16  25.370  -9.980   8.479
  149   2HO*    A  16          2HO*        A  16  25.038 -11.819   6.278
  150    H1*    A  16           H1*        A  16  25.220 -12.414   8.918
  151    H8     A  16           H8         A  16  28.579 -11.048  10.219
  152   1H6     A  16          1H6         A  16  26.948 -10.284  14.762
  153   2H6     A  16          2H6         A  16  25.319 -10.100  15.434
  154    H2     A  16           H2         A  16  22.465 -10.654  12.086
  155   1H5*    C  17          1H5*        C  17  24.481  -9.341   5.988
  156   2H5*    C  17          2H5*        C  17  24.110  -7.792   5.224
  157    H4*    C  17           H4*        C  17  22.628  -8.185   7.103
  158    H3*    C  17           H3*        C  17  24.656  -5.992   7.611
  159    H2*    C  17           H2*        C  17  23.463  -5.501   9.596
  160   2HO*    C  17          2HO*        C  17  21.441  -6.601   9.999
  161    H1*    C  17           H1*        C  17  22.807  -8.051  10.145
  162   1H4     C  17          1H4         C  17  28.146  -8.391  13.737
  163   2H4     C  17          2H4         C  17  26.833  -7.895  14.745
  164    H5     C  17           H5         C  17  27.959  -8.416  11.070
  165    H6     C  17           H6         C  17  26.347  -8.187   9.340
  166   1H5*    U  18          1H5*        U  18  21.238  -1.974   8.472
  167   2H5*    U  18          2H5*        U  18  22.997  -1.980   8.481
  168    H4*    U  18           H4*        U  18  21.105  -2.999  10.625
  169    H3*    U  18           H3*        U  18  22.384  -0.429  10.400
  170    H2*    U  18           H2*        U  18  24.111  -0.994  12.136
  171   2HO*    U  18          2HO*        U  18  21.564  -0.753  13.158
  172    H1*    U  18           H1*        U  18  22.417  -3.114  12.943
  173    H3     U  18           H3         U  18  25.625  -4.209  15.818
  174    H5     U  18           H5         U  18  26.892  -5.236  11.951
  175    H6     U  18           H6         U  18  25.261  -3.845  11.049
  176   1H5*    U  19          1H5*        U  19  18.150  -1.739  11.608
  177   2H5*    U  19          2H5*        U  19  16.976  -0.502  11.121
  178    H4*    U  19           H4*        U  19  16.189  -1.655  13.257
  179    H3*    U  19           H3*        U  19  16.055   1.138  13.210
  180    H2*    U  19           H2*        U  19  18.521   1.294  14.158
  181   2HO*    U  19          2HO*        U  19  17.010   2.739  15.194
  182    H1*    U  19           H1*        U  19  17.287  -0.537  16.163
  183    H3     U  19           H3         U  19  20.798  -0.375  18.980
  184    H5     U  19           H5         U  19  22.581   0.199  15.189
  185    H6     U  19           H6         U  19  20.432   0.090  14.234
  186   1H5*    A  20          1H5*        A  20  14.026  -0.513  11.417
  187   2H5*    A  20          2H5*        A  20  12.401  -1.085  11.826
  188    H4*    A  20           H4*        A  20  13.743  -2.456  10.069
  189    H3*    A  20           H3*        A  20  11.947  -3.288  11.988
  190    H2*    A  20           H2*        A  20  13.262  -4.692  13.315
  191   2HO*    A  20          2HO*        A  20  14.013  -6.651  12.081
  192    H1*    A  20           H1*        A  20  15.427  -5.007  11.234
  193    H8     A  20           H8         A  20  14.633  -4.144  14.944
  194   1H6     A  20          1H6         A  20  20.619  -4.892  16.039
  195   2H6     A  20          2H6         A  20  19.045  -4.651  16.759
  196    H2     A  20           H2         A  20  20.044  -5.010  11.620
  197   1H5*    A  21          1H5*        A  21  11.234  -7.292   9.688
  198   2H5*    A  21          2H5*        A  21  12.503  -6.625  10.740
  199    H4*    A  21           H4*        A  21  12.875  -9.010   8.856
  200    H3*    A  21           H3*        A  21  11.996  -8.894  11.740
  201    H2*    A  21           H2*        A  21  13.828 -10.001  12.599
  202   2HO*    A  21          2HO*        A  21  14.164 -11.505  10.262
  203    H1*    A  21           H1*        A  21  15.510 -10.152  10.414
  204    H8     A  21           H8         A  21  14.813  -8.332  13.645
  205   1H6     A  21          1H6         A  21  20.908  -7.148  13.424
  206   2H6     A  21          2H6         A  21  19.540  -7.291  14.505
  207    H2     A  21           H2         A  21  19.420  -8.156   9.295
  208   1H5*    A  22          1H5*        A  22  12.399 -14.333   8.474
  209   2H5*    A  22          2H5*        A  22  13.834 -14.355   9.503
  210    H4*    A  22           H4*        A  22  13.419 -12.536   7.056
  211    H3*    A  22           H3*        A  22  14.952 -15.041   7.721
  212    H2*    A  22           H2*        A  22  16.966 -14.112   7.765
  213   2HO*    A  22          2HO*        A  22  17.631 -12.939   5.778
  214    H1*    A  22           H1*        A  22  16.128 -11.451   6.753
  215    H8     A  22           H8         A  22  16.492 -12.166  10.444
  216   1H6     A  22          1H6         A  22  21.010 -10.502  11.079
  217   2H6     A  22          2H6         A  22  22.214  -9.917   9.953
  218    H2     A  22           H2         A  22  20.594 -10.170   5.989
  219   1H5*    A  23          1H5*        A  23  17.075 -14.604   3.912
  220   2H5*    A  23          2H5*        A  23  16.667 -16.138   3.127
  221    H4*    A  23           H4*        A  23  18.978 -16.111   2.973
  222    H3*    A  23           H3*        A  23  18.539 -17.408   5.749
  223    H2*    A  23           H2*        A  23  21.091 -17.868   5.629
  224   2HO*    A  23          2HO*        A  23  21.314 -18.239   3.544
  225    H1*    A  23           H1*        A  23  21.569 -15.266   4.819
  226    H8     A  23           H8         A  23  18.681 -15.453   7.438
  227   1H6     A  23          1H6         A  23  21.205 -13.727  11.148
  228   2H6     A  23          2H6         A  23  22.869 -13.240  11.336
  229    H2     A  23           H2         A  23  24.910 -14.084   7.381
  230   1H5*    A  24          1H5*        A  24  21.763 -21.476   4.078
  231   2H5*    A  24          2H5*        A  24  20.648 -22.160   5.279
  232    H4*    A  24           H4*        A  24  23.195 -22.101   5.964
  233    H3*    A  24           H3*        A  24  20.972 -21.591   7.780
  234    H2*    A  24           H2*        A  24  22.210 -20.224   8.997
  235   2HO*    A  24          2HO*        A  24  23.289 -21.557  10.219
  236    H1*    A  24           H1*        A  24  24.710 -20.594   7.362
  237    H8     A  24           H8         A  24  22.314 -18.031   9.098
  238   1H6     A  24          1H6         A  24  27.438 -14.722   9.775
  239   2H6     A  24          2H6         A  24  25.768 -14.891  10.263
  240    H2     A  24           H2         A  24  28.214 -17.871   6.719
  241   1H5*    C  25          1H5*        C  25  19.679 -25.515   8.157
  242   2H5*    C  25          2H5*        C  25  20.590 -24.170   8.859
  243    H4*    C  25           H4*        C  25  20.374 -25.492  10.723
  244    H3*    C  25           H3*        C  25  22.708 -26.776   9.277
  245    H2*    C  25           H2*        C  25  22.755 -28.307  11.112
  246   2HO*    C  25          2HO*        C  25  22.722 -26.816  12.772
  247    H1*    C  25           H1*        C  25  20.027 -28.318  11.578
  248   1H4     C  25          1H4         C  25  21.291 -33.234   7.344
  249   2H4     C  25          2H4         C  25  20.972 -33.987   8.891
  250    H5     C  25           H5         C  25  21.262 -30.821   7.023
  251    H6     C  25           H6         C  25  21.376 -28.684   8.187
  252   1H5*    A  26          1H5*        A  26  27.154 -25.492  11.471
  253   2H5*    A  26          2H5*        A  26  26.713 -23.865  11.952
  254    H4*    A  26           H4*        A  26  27.968 -24.800   9.369
  255    H3*    A  26           H3*        A  26  28.769 -23.125  11.692
  256    H2*    A  26           H2*        A  26  29.584 -21.350  10.495
  257   2HO*    A  26          2HO*        A  26  30.974 -22.383   9.128
  258    H1*    A  26           H1*        A  26  27.893 -21.251   8.368
  259    H8     A  26           H8         A  26  25.472 -21.833  11.042
  260   1H6     A  26          1H6         A  26  25.579 -17.601  13.412
  261   2H6     A  26          2H6         A  26  26.601 -16.189  13.269
  262    H2     A  26           H2         A  26  29.690 -17.132  10.136
  263   1H5*    C  27          1H5*        C  27  32.689 -24.326  10.201
  264   2H5*    C  27          2H5*        C  27  33.741 -25.219  11.310
  265    H4*    C  27           H4*        C  27  34.884 -23.185  10.505
  266    H3*    C  27           H3*        C  27  34.054 -22.487  13.299
  267    H2*    C  27           H2*        C  27  35.299 -20.543  12.996
  268   2HO*    C  27          2HO*        C  27  36.355 -21.733  10.623
  269    H1*    C  27           H1*        C  27  34.629 -20.302  10.239
  270   1H4     C  27          1H4         C  27  31.575 -15.651  13.184
  271   2H4     C  27          2H4         C  27  30.309 -16.749  13.688
  272    H5     C  27           H5         C  27  30.500 -19.027  13.554
  273    H6     C  27           H6         C  27  31.538 -20.913  12.225
  274   1H5*    C  28          1H5*        C  28  37.827 -20.885  13.553
  275   2H5*    C  28          2H5*        C  28  38.564 -21.816  14.871
  276    H4*    C  28           H4*        C  28  38.706 -19.345  15.214
  277    H3*    C  28           H3*        C  28  37.241 -21.143  17.098
  278    H2*    C  28           H2*        C  28  36.420 -19.430  18.381
  279   2HO*    C  28          2HO*        C  28  38.367 -18.479  18.905
  280    H1*    C  28           H1*        C  28  36.339 -17.343  16.443
  281   1H4     C  28          1H4         C  28  30.360 -20.018  17.451
  282   2H4     C  28          2H4         C  28  30.497 -18.686  18.585
  283    H5     C  28           H5         C  28  32.091 -20.780  16.103
  284    H6     C  28           H6         C  28  34.391 -20.292  15.143
  285   1H5*    G  29          1H5*        G  29  40.995 -19.948  19.255
  286   2H5*    G  29          2H5*        G  29  41.828 -21.095  20.322
  287    H4*    G  29           H4*        G  29  40.663 -19.140  21.477
  288    H3*    G  29           H3*        G  29  39.366 -21.804  22.137
  289    H2*    G  29           H2*        G  29  37.952 -20.645  23.643
  290   2HO*    G  29          2HO*        G  29  40.006 -18.810  23.568
  291    H1*    G  29           H1*        G  29  37.496 -18.508  21.863
  292    H8     G  29           H8         G  29  37.336 -21.485  19.525
  293    H1     G  29           H1         G  29  31.660 -19.713  21.993
  294   1H2     G  29          1H2         G  29  33.774 -18.046  24.481
  295   2H2     G  29          2H2         G  29  32.146 -18.378  23.936
  296   1H5*    G  30          1H5*        G  30  41.114 -20.695  25.617
  297   2H5*    G  30          2H5*        G  30  41.367 -21.796  26.985
  298    H4*    G  30           H4*        G  30  39.167 -20.424  26.798
  299    H3*    G  30           H3*        G  30  39.193 -23.419  27.224
  300    H2*    G  30           H2*        G  30  36.863 -23.466  27.161
  301   2HO*    G  30          2HO*        G  30  35.647 -21.528  27.657
  302    H1*    G  30           H1*        G  30  36.635 -20.934  25.769
  303    H8     G  30           H8         G  30  37.884 -23.187  22.993
  304    H1     G  30           H1         G  30  31.553 -23.064  23.583
  305   1H2     G  30          1H2         G  30  32.065 -21.853  26.825
  306   2H2     G  30          2H2         G  30  30.925 -22.317  25.578
  Start of MODEL    2
    1   1H5*    A   3          1H5*        A   3  22.314  -3.293  21.280
    2   2H5*    A   3          2H5*        A   3  22.074  -1.565  21.794
    3    H4*    A   3           H4*        A   3  20.884  -2.821  23.459
    4    H3*    A   3           H3*        A   3  23.264  -2.459  25.019
    5    H2*    A   3           H2*        A   3  24.602  -4.162  24.286
    6   2HO*    A   3          2HO*        A   3  24.321  -6.053  25.374
    7    H1*    A   3           H1*        A   3  22.604  -6.015  23.430
    8    H8     A   3           H8         A   3  25.509  -6.387  23.307
    9   1H6     A   3          1H6         A   3  27.133  -6.512  18.764
   10   2H6     A   3          2H6         A   3  26.586  -5.747  17.258
   11    H2     A   3           H2         A   3  22.898  -3.404  18.339
   12   1H5*    G   4          1H5*        G   4  19.282  -7.392  24.470
   13   2H5*    G   4          2H5*        G   4  21.087  -7.192  24.504
   14    H4*    G   4           H4*        G   4  19.305  -5.824  22.400
   15    H3*    G   4           H3*        G   4  19.848  -8.869  21.595
   16    H2*    G   4           H2*        G   4  20.050  -8.118  19.384
   17   2HO*    G   4          2HO*        G   4  18.416  -6.022  20.356
   18    H1*    G   4           H1*        G   4  21.224  -5.658  19.930
   19    H8     G   4           H8         G   4  23.286  -7.591  21.968
   20    H1     G   4           H1         G   4  24.565  -7.579  15.627
   21   1H2     G   4          1H2         G   4  21.168  -6.521  15.583
   22   2H2     G   4          2H2         G   4  22.602  -6.896  14.664
   23   1H5*    U   5          1H5*        U   5  16.423  -8.233  19.685
   24   2H5*    U   5          2H5*        U   5  15.240  -9.539  19.584
   25    H4*    U   5           H4*        U   5  16.086  -8.879  17.374
   26    H3*    U   5           H3*        U   5  17.334 -11.629  17.968
   27    H2*    U   5           H2*        U   5  17.745 -11.420  15.528
   28   2HO*    U   5          2HO*        U   5  16.987  -9.703  14.501
   29    H1*    U   5           H1*        U   5  18.682  -9.006  15.792
   30    H3     U   5           H3         U   5  22.687 -10.545  15.092
   31    H5     U   5           H5         U   5  22.068 -10.487  19.314
   32    H6     U   5           H6         U   5  19.707 -10.231  18.875
   33   1H5*    G   6          1H5*        G   6  16.695 -13.508  13.382
   34   2H5*    G   6          2H5*        G   6  15.757 -14.667  14.427
   35    H4*    G   6           H4*        G   6  17.822 -15.487  14.075
   36    H3*    G   6           H3*        G   6  16.933 -14.562  16.730
   37    H2*    G   6           H2*        G   6  18.709 -13.132  16.504
   38   2HO*    G   6          2HO*        G   6  18.821 -13.515  18.416
   39    H1*    G   6           H1*        G   6  20.193 -15.242  14.990
   40    H8     G   6           H8         G   6  20.868 -13.170  17.932
   41    H1     G   6           H1         G   6  25.988 -13.552  14.205
   42   1H2     G   6          1H2         G   6  23.815 -14.451  11.588
   43   2H2     G   6          2H2         G   6  25.464 -14.120  12.098
   44   1H5*    G   7          1H5*        G   7  19.748 -19.264  16.829
   45   2H5*    G   7          2H5*        G   7  19.310 -17.539  16.915
   46    H4*    G   7           H4*        G   7  19.951 -17.848  14.259
   47    H3*    G   7           H3*        G   7  21.193 -20.133  15.418
   48    H2*    G   7           H2*        G   7  22.929 -19.196  16.450
   49   2HO*    G   7          2HO*        G   7  24.516 -18.153  14.807
   50    H1*    G   7           H1*        G   7  23.098 -16.798  14.904
   51    H8     G   7           H8         G   7  21.483 -15.842  18.063
   52    H1     G   7           H1         G   7  27.896 -14.850  17.773
   53   1H2     G   7          1H2         G   7  27.611 -17.215  15.077
   54   2H2     G   7          2H2         G   7  28.642 -16.169  16.027
   55   1H5*   CH   8          1H5*       CH   8  23.961 -23.034  13.032
   56   2H5*   CH   8          2H5*       CH   8  23.720 -22.475  14.723
   57    H4*   CH   8           H4*       CH   8  26.257 -22.051  12.966
   58    H3*   CH   8           H3*       CH   8  25.731 -22.870  16.018
   59    H2*   CH   8           H2*       CH   8  28.052 -22.195  16.269
   60   2HO*   CH   8          2HO*       CH   8  29.302 -21.594  14.256
   61    H1*   CH   8           H1*       CH   8  27.993 -20.404  14.390
   62    HN3   CH   8           HN3       CH   8  29.870 -18.238  17.701
   63   1H4    CH   8          1H4        CH   8  27.443 -16.842  19.798
   64   2H4    CH   8          2H4        CH   8  29.137 -16.758  19.498
   65    H5    CH   8           H5        CH   8  25.833 -18.323  18.849
   66    H6    CH   8           H6        CH   8  25.399 -19.856  16.925
   67   1H5*    G   9          1H5*        G   9  23.816 -25.914  16.525
   68   2H5*    G   9          2H5*        G   9  24.139 -24.592  15.383
   69    H4*    G   9           H4*        G   9  23.598 -22.982  17.190
   70    H3*    G   9           H3*        G   9  24.267 -25.072  18.915
   71    H2*    G   9           H2*        G   9  22.319 -26.221  18.651
   72   2HO*    G   9          2HO*        G   9  20.868 -25.718  20.377
   73    H1*    G   9           H1*        G   9  20.600 -23.788  18.386
   74    H8     G   9           H8         G   9  20.224 -25.542  15.434
   75    H1     G   9           H1         G   9  17.263 -28.974  19.920
   76   1H2     G   9          1H2         G   9  17.925 -28.323  21.935
   77   2H2     G   9          2H2         G   9  19.094 -27.043  22.170
   78   1H5*    C  10          1H5*        C  10  20.833 -22.597  22.287
   79   2H5*    C  10          2H5*        C  10  20.808 -20.772  22.332
   80    H4*    C  10           H4*        C  10  21.640 -21.782  24.524
   81    H3*    C  10           H3*        C  10  23.782 -20.119  23.027
   82    H2*    C  10           H2*        C  10  25.214 -20.442  24.668
   83   2HO*    C  10          2HO*        C  10  24.701 -21.259  26.614
   84    H1*    C  10           H1*        C  10  24.921 -23.089  24.694
   85   1H4     C  10          1H4         C  10  27.860 -23.492  18.994
   86   2H4     C  10          2H4         C  10  29.173 -23.090  20.096
   87    H5     C  10           H5         C  10  25.534 -23.305  19.582
   88    H6     C  10           H6         C  10  23.992 -23.032  21.313
   89   1H5*    C  11          1H5*        C  11  23.846 -15.624  26.859
   90   2H5*    C  11          2H5*        C  11  23.636 -15.332  25.125
   91    H4*    C  11           H4*        C  11  26.049 -16.474  26.698
   92    H3*    C  11           H3*        C  11  26.379 -14.987  23.997
   93    H2*    C  11           H2*        C  11  28.527 -15.723  24.198
   94   2HO*    C  11          2HO*        C  11  27.927 -15.792  26.918
   95    H1*    C  11           H1*        C  11  27.845 -18.161  25.348
   96   1H4     C  11          1H4         C  11  28.063 -20.374  19.474
   97   2H4     C  11          2H4         C  11  29.685 -20.146  19.929
   98    H5     C  11           H5         C  11  26.125 -19.440  20.723
   99    H6     C  11           H6         C  11  25.619 -18.066  22.558
  100   1H5*    G  12          1H5*        G  12  28.661 -12.561  26.415
  101   2H5*    G  12          2H5*        G  12  28.589 -10.788  26.206
  102    H4*    G  12           H4*        G  12  30.887 -11.700  25.792
  103    H3*    G  12           H3*        G  12  29.599 -10.914  23.097
  104    H2*    G  12           H2*        G  12  31.545 -11.416  22.129
  105   2HO*    G  12          2HO*        G  12  32.610 -11.135  24.689
  106    H1*    G  12           H1*        G  12  32.193 -13.507  23.490
  107    H8     G  12           H8         G  12  28.684 -14.216  22.601
  108    H1     G  12           H1         G  12  33.047 -16.519  18.743
  109   1H2     G  12          1H2         G  12  35.364 -14.412  20.387
  110   2H2     G  12          2H2         G  12  35.118 -15.634  19.147
  111   1H5*    A  13          1H5*        A  13  33.410  -7.647  21.275
  112   2H5*    A  13          2H5*        A  13  32.472  -8.826  20.348
  113    H4*    A  13           H4*        A  13  34.678  -9.137  19.600
  114    H3*    A  13           H3*        A  13  33.513 -11.182  21.178
  115    H2*    A  13           H2*        A  13  35.084 -11.650  22.729
  116   2HO*    A  13          2HO*        A  13  36.106 -12.461  20.397
  117    H1*    A  13           H1*        A  13  37.326 -10.132  21.796
  118    H8     A  13           H8         A  13  34.364  -9.914  24.355
  119   1H6     A  13          1H6         A  13  38.733  -8.362  28.380
  120   2H6     A  13          2H6         A  13  37.033  -8.722  28.171
  121    H2     A  13           H2         A  13  40.658  -8.750  24.340
  122   1H5*    C  14          1H5*        C  14  36.230 -13.789  18.312
  123   2H5*    C  14          2H5*        C  14  37.203 -13.464  16.871
  124    H4*    C  14           H4*        C  14  35.944 -15.342  16.235
  125    H3*    C  14           H3*        C  14  34.402 -12.877  15.391
  126    H2*    C  14           H2*        C  14  32.476 -14.277  14.778
  127   2HO*    C  14          2HO*        C  14  32.766 -16.512  14.559
  128    H1*    C  14           H1*        C  14  32.758 -16.149  16.602
  129   1H4     C  14          1H4         C  14  29.107 -12.350  20.350
  130   2H4     C  14          2H4         C  14  28.023 -13.373  19.441
  131    H5     C  14           H5         C  14  31.519 -12.204  19.805
  132    H6     C  14           H6         C  14  33.267 -13.067  18.291
  133   1H5*    C  15          1H5*        C  15  34.218 -15.038  10.647
  134   2H5*    C  15          2H5*        C  15  34.240 -13.385  10.015
  135    H4*    C  15           H4*        C  15  32.379 -15.097   9.304
  136    H3*    C  15           H3*        C  15  31.766 -12.193   9.856
  137    H2*    C  15           H2*        C  15  29.578 -12.527   9.375
  138   2HO*    C  15          2HO*        C  15  28.964 -14.405   8.475
  139    H1*    C  15           H1*        C  15  29.239 -15.080  10.469
  140   1H4     C  15          1H4         C  15  29.066 -12.572  16.312
  141   2H4     C  15          2H4         C  15  27.392 -12.909  16.003
  142    H5     C  15           H5         C  15  30.646 -12.586  14.950
  143    H6     C  15           H6         C  15  31.489 -13.084  12.773
  144   1H5*    A  16          1H5*        A  16  28.861 -13.089   6.286
  145   2H5*    A  16          2H5*        A  16  28.868 -11.420   5.756
  146    H4*    A  16           H4*        A  16  26.701 -12.551   6.606
  147    H3*    A  16           H3*        A  16  27.558  -9.726   7.096
  148    H2*    A  16           H2*        A  16  25.790  -9.508   8.894
  149   2HO*    A  16          2HO*        A  16  24.417 -10.830   6.815
  150    H1*    A  16           H1*        A  16  25.170 -12.150   9.063
  151    H8     A  16           H8         A  16  28.435 -11.230  10.738
  152   1H6     A  16          1H6         A  16  26.700 -11.150  15.251
  153   2H6     A  16          2H6         A  16  25.079 -10.927  15.929
  154    H2     A  16           H2         A  16  22.297 -10.616  12.521
  155   1H5*    C  17          1H5*        C  17  24.022  -6.585   6.104
  156   2H5*    C  17          2H5*        C  17  25.534  -7.135   6.811
  157    H4*    C  17           H4*        C  17  22.789  -7.625   8.071
  158    H3*    C  17           H3*        C  17  24.660  -5.313   8.603
  159    H2*    C  17           H2*        C  17  23.843  -5.238  10.794
  160   2HO*    C  17          2HO*        C  17  21.574  -6.182   9.538
  161    H1*    C  17           H1*        C  17  23.134  -7.905  10.853
  162   1H4     C  17          1H4         C  17  28.074  -8.640  14.817
  163   2H4     C  17          2H4         C  17  26.691  -8.264  15.760
  164    H5     C  17           H5         C  17  28.134  -8.307  12.184
  165    H6     C  17           H6         C  17  26.710  -7.883  10.412
  166   1H5*    U  18          1H5*        U  18  21.033  -0.962   9.251
  167   2H5*    U  18          2H5*        U  18  22.779  -1.205   9.341
  168    H4*    U  18           H4*        U  18  20.692  -2.557  11.095
  169    H3*    U  18           H3*        U  18  21.890   0.047  11.444
  170    H2*    U  18           H2*        U  18  23.463  -0.718  13.193
  171   2HO*    U  18          2HO*        U  18  21.977  -1.907  14.873
  172    H1*    U  18           H1*        U  18  21.875  -3.043  13.457
  173    H3     U  18           H3         U  18  24.755  -4.268  16.492
  174    H5     U  18           H5         U  18  26.626  -4.667  12.761
  175    H6     U  18           H6         U  18  24.988  -3.243  11.849
  176   1H5*    U  19          1H5*        U  19  17.743  -2.974  12.214
  177   2H5*    U  19          2H5*        U  19  16.506  -1.998  11.472
  178    H4*    U  19           H4*        U  19  15.522  -3.067  13.549
  179    H3*    U  19           H3*        U  19  15.189  -0.260  13.560
  180    H2*    U  19           H2*        U  19  17.542   0.043  14.665
  181   2HO*    U  19          2HO*        U  19  16.427   0.363  16.973
  182    H1*    U  19           H1*        U  19  16.323  -1.911  16.566
  183    H3     U  19           H3         U  19  19.594  -1.738  19.625
  184    H5     U  19           H5         U  19  21.591  -0.647  16.064
  185    H6     U  19           H6         U  19  19.546  -0.834  14.926
  186   1H5*    A  20          1H5*        A  20  12.742  -2.441  11.567
  187   2H5*    A  20          2H5*        A  20  11.601  -3.505  12.418
  188    H4*    A  20           H4*        A  20  12.861  -4.611  10.424
  189    H3*    A  20           H3*        A  20  12.845  -5.720  13.247
  190    H2*    A  20           H2*        A  20  14.410  -7.228  12.902
  191   2HO*    A  20          2HO*        A  20  14.835  -8.076  10.784
  192    H1*    A  20           H1*        A  20  15.804  -6.072  10.760
  193    H8     A  20           H8         A  20  15.015  -5.872  14.528
  194   1H6     A  20          1H6         A  20  19.385  -5.147  16.272
  195   2H6     A  20          2H6         A  20  20.949  -4.879  15.538
  196    H2     A  20           H2         A  20  20.387  -5.004  11.136
  197   1H5*    A  21          1H5*        A  21  13.010  -8.080   9.859
  198   2H5*    A  21          2H5*        A  21  11.832  -8.668   8.688
  199    H4*    A  21           H4*        A  21  12.777 -10.717   8.645
  200    H3*    A  21           H3*        A  21  12.171 -10.609  11.540
  201    H2*    A  21           H2*        A  21  14.069 -11.534  12.236
  202   2HO*    A  21          2HO*        A  21  14.776 -13.420  11.426
  203    H1*    A  21           H1*        A  21  15.602 -11.780   9.902
  204    H8     A  21           H8         A  21  15.761 -10.671  13.337
  205   1H6     A  21          1H6         A  21  19.658  -7.794  13.415
  206   2H6     A  21          2H6         A  21  20.571  -7.028  12.136
  207    H2     A  21           H2         A  21  18.795  -8.281   8.231
  208   1H5*    A  22          1H5*        A  22  13.889 -14.872   7.860
  209   2H5*    A  22          2H5*        A  22  15.042 -14.552   9.143
  210    H4*    A  22           H4*        A  22  15.022 -13.056   6.498
  211    H3*    A  22           H3*        A  22  16.424 -15.597   7.395
  212    H2*    A  22           H2*        A  22  18.516 -14.785   7.148
  213   2HO*    A  22          2HO*        A  22  18.972 -14.687   5.088
  214    H1*    A  22           H1*        A  22  17.635 -12.059   6.312
  215    H8     A  22           H8         A  22  18.170 -13.115   9.942
  216   1H6     A  22          1H6         A  22  23.080  -9.402   9.732
  217   2H6     A  22          2H6         A  22  22.069 -10.360  10.779
  218    H2     A  22           H2         A  22  21.583  -9.713   5.745
  219   1H5*    A  23          1H5*        A  23  17.663 -15.455   3.996
  220   2H5*    A  23          2H5*        A  23  17.566 -16.808   2.844
  221    H4*    A  23           H4*        A  23  19.823 -16.629   2.936
  222    H3*    A  23           H3*        A  23  19.297 -18.189   5.557
  223    H2*    A  23           H2*        A  23  21.873 -18.383   5.650
  224   2HO*    A  23          2HO*        A  23  21.548 -17.042   3.165
  225    H1*    A  23           H1*        A  23  22.082 -15.652   5.042
  226    H8     A  23           H8         A  23  19.990 -17.334   7.996
  227   1H6     A  23          1H6         A  23  21.436 -14.143  11.410
  228   2H6     A  23          2H6         A  23  22.485 -12.756  11.298
  229    H2     A  23           H2         A  23  24.075 -12.625   7.141
  230   1H5*    A  24          1H5*        A  24  21.798 -22.278   4.170
  231   2H5*    A  24          2H5*        A  24  20.844 -23.024   5.466
  232    H4*    A  24           H4*        A  24  23.374 -23.002   5.917
  233    H3*    A  24           H3*        A  24  21.361 -22.248   7.868
  234    H2*    A  24           H2*        A  24  22.674 -20.788   8.952
  235   2HO*    A  24          2HO*        A  24  23.889 -23.071   9.228
  236    H1*    A  24           H1*        A  24  25.084 -20.986   7.253
  237    H8     A  24           H8         A  24  22.090 -18.751   8.357
  238   1H6     A  24          1H6         A  24  24.658 -14.788   9.194
  239   2H6     A  24          2H6         A  24  26.275 -14.296   8.752
  240    H2     A  24           H2         A  24  27.991 -17.590   6.309
  241   1H5*    C  25          1H5*        C  25  21.071 -25.359  10.834
  242   2H5*    C  25          2H5*        C  25  22.114 -24.084  10.206
  243    H4*    C  25           H4*        C  25  24.013 -24.936  11.151
  244    H3*    C  25           H3*        C  25  22.991 -27.660  10.553
  245    H2*    C  25           H2*        C  25  24.574 -28.470  12.203
  246   2HO*    C  25          2HO*        C  25  25.779 -26.059  12.698
  247    H1*    C  25           H1*        C  25  24.378 -26.277  13.901
  248   1H4     C  25          1H4         C  25  21.419 -30.742  17.313
  249   2H4     C  25          2H4         C  25  20.326 -31.129  16.003
  250    H5     C  25           H5         C  25  20.400 -30.030  13.855
  251    H6     C  25           H6         C  25  21.579 -28.435  12.492
  252   1H5*    A  26          1H5*        A  26  26.557 -24.180  11.002
  253   2H5*    A  26          2H5*        A  26  25.588 -24.729   9.626
  254    H4*    A  26           H4*        A  26  27.714 -24.512   8.227
  255    H3*    A  26           H3*        A  26  28.669 -23.460  10.846
  256    H2*    A  26           H2*        A  26  29.447 -21.466  10.055
  257   2HO*    A  26          2HO*        A  26  30.840 -21.999   8.515
  258    H1*    A  26           H1*        A  26  27.787 -20.996   7.893
  259    H8     A  26           H8         A  26  25.557 -21.670  10.830
  260   1H6     A  26          1H6         A  26  26.266 -17.555  13.445
  261   2H6     A  26          2H6         A  26  27.318 -16.189  13.172
  262    H2     A  26           H2         A  26  29.796 -17.076   9.549
  263   1H5*    C  27          1H5*        C  27  32.412 -22.861   8.917
  264   2H5*    C  27          2H5*        C  27  33.603 -23.933   9.676
  265    H4*    C  27           H4*        C  27  34.588 -21.735   9.702
  266    H3*    C  27           H3*        C  27  33.254 -21.840  12.386
  267    H2*    C  27           H2*        C  27  34.502 -19.835  12.777
  268   2HO*    C  27          2HO*        C  27  36.449 -20.199  11.968
  269    H1*    C  27           H1*        C  27  34.072 -18.922  10.134
  270   1H4     C  27          1H4         C  27  30.418 -15.164  13.611
  271   2H4     C  27          2H4         C  27  29.210 -16.406  13.798
  272    H5     C  27           H5         C  27  29.571 -18.570  13.251
  273    H6     C  27           H6         C  27  30.843 -20.152  11.718
  274   1H5*    C  28          1H5*        C  28  38.032 -20.834  12.771
  275   2H5*    C  28          2H5*        C  28  38.325 -21.900  14.154
  276    H4*    C  28           H4*        C  28  39.301 -19.501  14.234
  277    H3*    C  28           H3*        C  28  37.768 -20.883  16.398
  278    H2*    C  28           H2*        C  28  37.670 -19.034  17.774
  279   2HO*    C  28          2HO*        C  28  40.068 -18.641  17.115
  280    H1*    C  28           H1*        C  28  37.334 -17.009  15.874
  281   1H4     C  28          1H4         C  28  31.487 -19.766  17.323
  282   2H4     C  28          2H4         C  28  31.644 -18.366  18.376
  283    H5     C  28           H5         C  28  33.209 -20.611  16.014
  284    H6     C  28           H6         C  28  35.354 -20.002  14.800
  285   1H5*    G  29          1H5*        G  29  40.445 -19.807  18.538
  286   2H5*    G  29          2H5*        G  29  41.301 -20.744  19.772
  287    H4*    G  29           H4*        G  29  39.742 -19.006  20.677
  288    H3*    G  29           H3*        G  29  38.644 -21.785  21.230
  289    H2*    G  29           H2*        G  29  37.027 -20.696  22.562
  290   2HO*    G  29          2HO*        G  29  37.223 -18.500  23.108
  291    H1*    G  29           H1*        G  29  36.800 -18.484  20.799
  292    H8     G  29           H8         G  29  36.326 -21.320  18.359
  293    H1     G  29           H1         G  29  30.920 -19.369  21.278
  294   1H2     G  29          1H2         G  29  33.288 -17.976  23.708
  295   2H2     G  29          2H2         G  29  31.610 -18.178  23.259
  296   1H5*    G  30          1H5*        G  30  39.113 -20.122  24.527
  297   2H5*    G  30          2H5*        G  30  39.264 -20.864  26.132
  298    H4*    G  30           H4*        G  30  37.063 -19.754  25.611
  299    H3*    G  30           H3*        G  30  37.094 -22.716  26.220
  300    H2*    G  30           H2*        G  30  34.829 -22.855  25.769
  301   2HO*    G  30          2HO*        G  30  34.854 -20.640  27.313
  302    H1*    G  30           H1*        G  30  34.756 -20.213  24.507
  303    H8     G  30           H8         G  30  35.886 -22.304  21.582
  304    H1     G  30           H1         G  30  29.545 -22.355  22.426
  305   1H2     G  30          1H2         G  30  30.192 -21.321  25.710
  306   2H2     G  30          2H2         G  30  29.001 -21.738  24.495
  Start of MODEL    3
    1   1H5*    A   3          1H5*        A   3  26.046  -2.640  26.006
    2   2H5*    A   3          2H5*        A   3  24.519  -2.215  26.747
    3    H4*    A   3           H4*        A   3  24.066  -1.241  24.826
    4    H3*    A   3           H3*        A   3  23.490  -4.106  23.802
    5    H2*    A   3           H2*        A   3  22.851  -3.170  21.755
    6   2HO*    A   3          2HO*        A   3  22.279  -1.087  21.467
    7    H1*    A   3           H1*        A   3  25.144  -1.346  21.717
    8    H8     A   3           H8         A   3  26.774  -4.125  22.500
    9   1H6     A   3          1H6         A   3  27.937  -5.441  18.020
   10   2H6     A   3          2H6         A   3  27.211  -5.112  16.438
   11    H2     A   3           H2         A   3  23.621  -2.532  17.235
   12   1H5*    G   4          1H5*        G   4  20.520  -3.146  22.992
   13   2H5*    G   4          2H5*        G   4  18.942  -3.880  23.317
   14    H4*    G   4           H4*        G   4  19.264  -3.868  20.989
   15    H3*    G   4           H3*        G   4  20.574  -6.717  21.481
   16    H2*    G   4           H2*        G   4  20.549  -6.891  19.061
   17   2HO*    G   4          2HO*        G   4  19.636  -5.227  17.811
   18    H1*    G   4           H1*        G   4  21.466  -4.358  18.772
   19    H8     G   4           H8         G   4  23.658  -5.564  21.420
   20    H1     G   4           H1         G   4  24.938  -7.235  15.318
   21   1H2     G   4          1H2         G   4  21.440  -6.295  15.151
   22   2H2     G   4          2H2         G   4  22.829  -6.870  14.275
   23   1H5*    U   5          1H5*        U   5  16.464  -8.572  20.034
   24   2H5*    U   5          2H5*        U   5  16.562 -10.252  20.442
   25    H4*    U   5           H4*        U   5  16.529  -9.373  17.883
   26    H3*    U   5           H3*        U   5  18.736 -11.485  18.464
   27    H2*    U   5           H2*        U   5  19.106 -11.448  16.174
   28   2HO*    U   5          2HO*        U   5  17.848 -10.364  14.723
   29    H1*    U   5           H1*        U   5  19.263  -8.826  15.988
   30    H3     U   5           H3         U   5  23.351 -10.187  15.620
   31    H5     U   5           H5         U   5  22.819  -8.991  19.664
   32    H6     U   5           H6         U   5  20.402  -9.077  19.265
   33   1H5*    G   6          1H5*        G   6  16.267 -13.374  16.137
   34   2H5*    G   6          2H5*        G   6  15.761 -15.073  16.283
   35    H4*    G   6           H4*        G   6  17.149 -14.742  14.323
   36    H3*    G   6           H3*        G   6  18.485 -16.193  16.610
   37    H2*    G   6           H2*        G   6  20.377 -16.554  15.219
   38   2HO*    G   6          2HO*        G   6  18.471 -16.298  13.246
   39    H1*    G   6           H1*        G   6  20.261 -14.169  13.942
   40    H8     G   6           H8         G   6  20.155 -13.270  17.606
   41    H1     G   6           H1         G   6  25.887 -13.532  14.761
   42   1H2     G   6          1H2         G   6  24.192 -15.448  12.321
   43   2H2     G   6          2H2         G   6  25.698 -14.727  12.844
   44   1H5*    G   7          1H5*        G   7  20.191 -19.306  17.801
   45   2H5*    G   7          2H5*        G   7  20.016 -17.596  17.344
   46    H4*    G   7           H4*        G   7  20.506 -19.272  15.014
   47    H3*    G   7           H3*        G   7  22.309 -19.777  17.376
   48    H2*    G   7           H2*        G   7  24.251 -19.593  15.783
   49   2HO*    G   7          2HO*        G   7  22.112 -19.826  14.005
   50    H1*    G   7           H1*        G   7  23.610 -17.456  14.726
   51    H8     G   7           H8         G   7  21.895 -16.565  17.847
   52    H1     G   7           H1         G   7  28.151 -15.013  17.777
   53   1H2     G   7          1H2         G   7  28.149 -17.336  15.009
   54   2H2     G   7          2H2         G   7  29.073 -16.231  16.003
   55   1H5*   CH   8          1H5*       CH   8  24.413 -22.449  13.017
   56   2H5*   CH   8          2H5*       CH   8  24.541 -23.669  14.311
   57    H4*   CH   8           H4*       CH   8  26.851 -22.428  13.212
   58    H3*   CH   8           H3*       CH   8  26.150 -23.323  16.176
   59    H2*   CH   8           H2*       CH   8  28.308 -22.530  16.752
   60   2HO*   CH   8          2HO*       CH   8  29.876 -21.904  14.887
   61    H1*   CH   8           H1*       CH   8  28.508 -20.785  14.764
   62    HN3   CH   8           HN3       CH   8  30.231 -18.420  18.015
   63   1H4    CH   8          1H4        CH   8  27.736 -16.903  19.924
   64   2H4    CH   8          2H4        CH   8  29.433 -16.832  19.690
   65    H5    CH   8           H5        CH   8  26.135 -18.458  19.012
   66    H6    CH   8           H6        CH   8  25.796 -20.183  17.237
   67   1H5*    G   9          1H5*        G   9  24.752 -26.845  17.180
   68   2H5*    G   9          2H5*        G   9  24.786 -25.844  15.704
   69    H4*    G   9           H4*        G   9  24.336 -23.874  17.299
   70    H3*    G   9           H3*        G   9  24.681 -25.899  19.263
   71    H2*    G   9           H2*        G   9  22.537 -26.714  19.266
   72   2HO*    G   9          2HO*        G   9  21.104 -25.413  20.539
   73    H1*    G   9           H1*        G   9  21.256 -24.232  18.247
   74    H8     G   9           H8         G   9  21.189 -26.799  15.759
   75    H1     G   9           H1         G   9  16.906 -28.219  20.264
   76   1H2     G   9          1H2         G   9  17.263 -26.984  22.069
   77   2H2     G   9          2H2         G   9  18.557 -25.810  22.165
   78   1H5*    C  10          1H5*        C  10  21.213 -23.781  22.869
   79   2H5*    C  10          2H5*        C  10  21.418 -22.091  22.220
   80    H4*    C  10           H4*        C  10  21.894 -22.485  24.829
   81    H3*    C  10           H3*        C  10  23.926 -20.924  23.100
   82    H2*    C  10           H2*        C  10  25.324 -20.720  24.789
   83   2HO*    C  10          2HO*        C  10  23.159 -21.720  26.360
   84    H1*    C  10           H1*        C  10  25.338 -23.313  25.397
   85   1H4     C  10          1H4         C  10  28.510 -24.579  19.944
   86   2H4     C  10          2H4         C  10  29.726 -23.830  20.975
   87    H5     C  10           H5         C  10  26.132 -24.514  20.425
   88    H6     C  10           H6         C  10  24.501 -24.054  22.032
   89   1H5*    C  11          1H5*        C  11  23.554 -15.825  25.998
   90   2H5*    C  11          2H5*        C  11  23.497 -16.038  24.214
   91    H4*    C  11           H4*        C  11  25.617 -17.133  26.221
   92    H3*    C  11           H3*        C  11  26.196 -14.816  24.257
   93    H2*    C  11           H2*        C  11  27.884 -15.948  23.333
   94   2HO*    C  11          2HO*        C  11  28.589 -15.812  25.915
   95    H1*    C  11           H1*        C  11  27.639 -18.351  24.948
   96   1H4     C  11          1H4         C  11  28.496 -21.433  19.578
   97   2H4     C  11          2H4         C  11  30.050 -20.946  20.065
   98    H5     C  11           H5         C  11  26.371 -20.522  20.555
   99    H6     C  11           H6         C  11  25.621 -18.920  22.110
  100   1H5*    G  12          1H5*        G  12  27.864 -10.918  25.437
  101   2H5*    G  12          2H5*        G  12  27.669 -12.359  24.347
  102    H4*    G  12           H4*        G  12  30.283 -11.526  25.854
  103    H3*    G  12           H3*        G  12  29.779 -10.393  23.003
  104    H2*    G  12           H2*        G  12  31.644 -11.248  22.201
  105   2HO*    G  12          2HO*        G  12  33.448 -11.841  23.523
  106    H1*    G  12           H1*        G  12  32.236 -13.281  23.606
  107    H8     G  12           H8         G  12  28.794 -14.071  22.628
  108    H1     G  12           H1         G  12  33.348 -16.532  19.050
  109   1H2     G  12          1H2         G  12  35.563 -14.322  20.707
  110   2H2     G  12          2H2         G  12  35.393 -15.615  19.524
  111   1H5*    A  13          1H5*        A  13  34.640  -9.950  22.429
  112   2H5*    A  13          2H5*        A  13  34.381  -8.265  21.989
  113    H4*    A  13           H4*        A  13  34.798 -10.361  20.102
  114    H3*    A  13           H3*        A  13  34.317  -7.711  19.524
  115    H2*    A  13           H2*        A  13  31.997  -7.636  19.605
  116   2HO*    A  13          2HO*        A  13  32.746  -8.768  17.113
  117    H1*    A  13           H1*        A  13  31.526 -10.400  18.584
  118    H8     A  13           H8         A  13  31.178  -8.073  21.678
  119   1H6     A  13          1H6         A  13  25.223  -9.577  21.749
  120   2H6     A  13          2H6         A  13  26.486  -8.665  22.542
  121    H2     A  13           H2         A  13  27.163 -11.789  18.352
  122   1H5*    C  14          1H5*        C  14  35.750 -12.623  18.704
  123   2H5*    C  14          2H5*        C  14  37.087 -12.635  17.583
  124    H4*    C  14           H4*        C  14  36.226 -14.456  16.668
  125    H3*    C  14           H3*        C  14  34.225 -12.391  15.761
  126    H2*    C  14           H2*        C  14  32.672 -14.137  15.082
  127   2HO*    C  14          2HO*        C  14  33.374 -16.173  14.663
  128    H1*    C  14           H1*        C  14  33.184 -15.840  16.977
  129   1H4     C  14          1H4         C  14  29.063 -12.539  20.453
  130   2H4     C  14          2H4         C  14  28.110 -13.639  19.481
  131    H5     C  14           H5         C  14  31.397 -12.175  20.001
  132    H6     C  14           H6         C  14  33.241 -12.780  18.527
  133   1H5*    C  15          1H5*        C  15  34.440 -14.943  12.182
  134   2H5*    C  15          2H5*        C  15  34.397 -13.819  10.825
  135    H4*    C  15           H4*        C  15  32.705 -15.672  10.814
  136    H3*    C  15           H3*        C  15  31.808 -12.829  10.488
  137    H2*    C  15           H2*        C  15  29.645 -13.482  10.202
  138   2HO*    C  15          2HO*        C  15  29.226 -15.602   9.800
  139    H1*    C  15           H1*        C  15  29.625 -15.644  11.975
  140   1H4     C  15          1H4         C  15  28.464 -11.569  16.811
  141   2H4     C  15          2H4         C  15  26.922 -12.247  16.388
  142    H5     C  15           H5         C  15  30.386 -11.805  15.611
  143    H6     C  15           H6         C  15  31.463 -12.769  13.638
  144   1H5*    A  16          1H5*        A  16  28.750 -14.706   7.377
  145   2H5*    A  16          2H5*        A  16  28.832 -13.216   6.484
  146    H4*    A  16           H4*        A  16  26.611 -13.830   7.638
  147    H3*    A  16           H3*        A  16  27.774 -11.047   7.989
  148    H2*    A  16           H2*        A  16  25.698 -10.684   9.453
  149   2HO*    A  16          2HO*        A  16  24.786 -12.767   7.717
  150    H1*    A  16           H1*        A  16  25.467 -13.094  10.268
  151    H8     A  16           H8         A  16  28.915 -11.675  11.226
  152   1H6     A  16          1H6         A  16  27.405 -10.326  15.699
  153   2H6     A  16          2H6         A  16  25.790 -10.072  16.389
  154    H2     A  16           H2         A  16  22.841 -11.008  13.199
  155   1H5*    C  17          1H5*        C  17  24.301 -10.449   6.756
  156   2H5*    C  17          2H5*        C  17  23.914  -8.947   5.914
  157    H4*    C  17           H4*        C  17  22.712  -9.158   8.058
  158    H3*    C  17           H3*        C  17  24.805  -6.991   8.063
  159    H2*    C  17           H2*        C  17  23.730  -6.236  10.080
  160   2HO*    C  17          2HO*        C  17  21.774  -7.334  10.752
  161    H1*    C  17           H1*        C  17  23.145  -8.770  10.863
  162   1H4     C  17          1H4         C  17  28.386  -8.359  14.583
  163   2H4     C  17          2H4         C  17  27.026  -7.778  15.477
  164    H5     C  17           H5         C  17  28.275  -8.749  11.937
  165    H6     C  17           H6         C  17  26.722  -8.865  10.155
  166   1H5*    U  18          1H5*        U  18  21.506  -2.248   7.650
  167   2H5*    U  18          2H5*        U  18  23.211  -2.579   7.859
  168    H4*    U  18           H4*        U  18  21.028  -3.539   9.758
  169    H3*    U  18           H3*        U  18  22.120  -0.914   9.703
  170    H2*    U  18           H2*        U  18  23.729  -1.349  11.543
  171   2HO*    U  18          2HO*        U  18  22.315  -2.049  13.483
  172    H1*    U  18           H1*        U  18  22.118  -3.560  12.284
  173    H3     U  18           H3         U  18  25.281  -3.885  15.487
  174    H5     U  18           H5         U  18  26.849  -5.309  11.870
  175    H6     U  18           H6         U  18  25.146  -4.205  10.749
  176   1H5*    U  19          1H5*        U  19  17.911  -2.546  10.795
  177   2H5*    U  19          2H5*        U  19  16.616  -1.508  10.185
  178    H4*    U  19           H4*        U  19  16.026  -2.291  12.519
  179    H3*    U  19           H3*        U  19  15.788   0.452  11.977
  180    H2*    U  19           H2*        U  19  18.274   0.857  12.810
  181   2HO*    U  19          2HO*        U  19  16.169   1.397  14.709
  182    H1*    U  19           H1*        U  19  17.157  -0.712  15.092
  183    H3     U  19           H3         U  19  20.649   0.078  17.810
  184    H5     U  19           H5         U  19  22.438   0.056  13.983
  185    H6     U  19           H6         U  19  20.298  -0.364  13.050
  186   1H5*    A  20          1H5*        A  20  13.667  -1.389  10.626
  187   2H5*    A  20          2H5*        A  20  12.067  -1.911  11.190
  188    H4*    A  20           H4*        A  20  13.306  -3.625   9.696
  189    H3*    A  20           H3*        A  20  12.538  -4.264  12.583
  190    H2*    A  20           H2*        A  20  13.376  -6.380  12.447
  191   2HO*    A  20          2HO*        A  20  13.657  -7.449  10.515
  192    H1*    A  20           H1*        A  20  15.484  -5.762  10.660
  193    H8     A  20           H8         A  20  14.162  -5.395  14.251
  194   1H6     A  20          1H6         A  20  20.009  -5.321  16.129
  195   2H6     A  20          2H6         A  20  18.337  -5.384  16.635
  196    H2     A  20           H2         A  20  20.014  -5.197  11.643
  197   1H5*    A  21          1H5*        A  21  10.343  -8.606  12.238
  198   2H5*    A  21          2H5*        A  21  10.890  -8.171  13.871
  199    H4*    A  21           H4*        A  21  12.627  -9.070  11.487
  200    H3*    A  21           H3*        A  21  12.050 -10.380  14.114
  201    H2*    A  21           H2*        A  21  14.194 -10.171  14.569
  202   2HO*    A  21          2HO*        A  21  14.461 -11.728  12.180
  203    H1*    A  21           H1*        A  21  14.813  -9.145  11.724
  204    H8     A  21           H8         A  21  15.520  -8.681  15.504
  205   1H6     A  21          1H6         A  21  20.163  -7.361  15.158
  206   2H6     A  21          2H6         A  21  21.279  -7.319  13.814
  207    H2     A  21           H2         A  21  19.024  -8.536  10.169
  208   1H5*    A  22          1H5*        A  22  12.789 -15.058  10.068
  209   2H5*    A  22          2H5*        A  22  13.834 -14.382  11.298
  210    H4*    A  22           H4*        A  22  13.192 -12.931   8.673
  211    H3*    A  22           H3*        A  22  15.340 -14.914   9.458
  212    H2*    A  22           H2*        A  22  16.978 -13.722   8.432
  213   2HO*    A  22          2HO*        A  22  16.570 -12.365   6.655
  214    H1*    A  22           H1*        A  22  15.794 -11.174   8.491
  215    H8     A  22           H8         A  22  16.223 -11.881  12.021
  216   1H6     A  22          1H6         A  22  21.074 -11.151  12.420
  217   2H6     A  22          2H6         A  22  22.308 -10.917  11.204
  218    H2     A  22           H2         A  22  20.472 -11.168   7.335
  219   1H5*    A  23          1H5*        A  23  16.168 -15.574   6.166
  220   2H5*    A  23          2H5*        A  23  16.162 -17.199   5.451
  221    H4*    A  23           H4*        A  23  18.442 -16.615   5.512
  222    H3*    A  23           H3*        A  23  17.969 -17.944   8.263
  223    H2*    A  23           H2*        A  23  20.499 -17.796   8.539
  224   2HO*    A  23          2HO*        A  23  21.557 -17.852   6.821
  225    H1*    A  23           H1*        A  23  20.539 -15.284   7.239
  226    H8     A  23           H8         A  23  17.872 -14.953  10.023
  227   1H6     A  23          1H6         A  23  22.697 -12.776  13.123
  228   2H6     A  23          2H6         A  23  20.965 -12.809  13.044
  229    H2     A  23           H2         A  23  24.186 -14.662   9.325
  230   1H5*    A  24          1H5*        A  24  22.299 -18.421   5.184
  231   2H5*    A  24          2H5*        A  24  20.782 -19.219   4.730
  232    H4*    A  24           H4*        A  24  22.287 -20.371   3.612
  233    H3*    A  24           H3*        A  24  21.079 -21.730   5.564
  234    H2*    A  24           H2*        A  24  22.838 -22.280   7.274
  235   2HO*    A  24          2HO*        A  24  23.056 -24.042   5.678
  236    H1*    A  24           H1*        A  24  25.203 -21.586   6.030
  237    H8     A  24           H8         A  24  22.481 -20.422   8.400
  238   1H6     A  24          1H6         A  24  25.145 -17.210  10.959
  239   2H6     A  24          2H6         A  24  26.726 -16.529  10.704
  240    H2     A  24           H2         A  24  28.284 -18.255   6.850
  241   1H5*    C  25          1H5*        C  25  20.204 -25.211   6.577
  242   2H5*    C  25          2H5*        C  25  21.304 -23.891   7.000
  243    H4*    C  25           H4*        C  25  21.534 -25.713   8.580
  244    H3*    C  25           H3*        C  25  23.719 -24.618   7.279
  245    H2*    C  25           H2*        C  25  23.919 -26.094   5.661
  246   2HO*    C  25          2HO*        C  25  25.866 -26.229   7.024
  247    H1*    C  25           H1*        C  25  23.372 -28.465   7.421
  248   1H4     C  25          1H4         C  25  22.276 -31.983   2.320
  249   2H4     C  25          2H4         C  25  22.463 -30.618   1.242
  250    H5     C  25           H5         C  25  23.063 -28.427   2.047
  251    H6     C  25           H6         C  25  22.787 -26.910   3.968
  252   1H5*    A  26          1H5*        A  26  27.571 -25.831  11.424
  253   2H5*    A  26          2H5*        A  26  27.132 -24.178  11.810
  254    H4*    A  26           H4*        A  26  28.401 -25.246   9.281
  255    H3*    A  26           H3*        A  26  29.257 -23.642  11.599
  256    H2*    A  26           H2*        A  26  29.964 -21.762  10.516
  257   2HO*    A  26          2HO*        A  26  31.486 -22.646   9.198
  258    H1*    A  26           H1*        A  26  28.415 -21.716   8.242
  259    H8     A  26           H8         A  26  25.902 -22.179  10.808
  260   1H6     A  26          1H6         A  26  26.526 -18.053  13.625
  261   2H6     A  26          2H6         A  26  27.642 -16.734  13.403
  262    H2     A  26           H2         A  26  30.386 -17.760  10.042
  263   1H5*    C  27          1H5*        C  27  33.294 -24.152  10.081
  264   2H5*    C  27          2H5*        C  27  34.315 -25.023  11.244
  265    H4*    C  27           H4*        C  27  35.397 -22.876  10.814
  266    H3*    C  27           H3*        C  27  33.825 -22.342  13.311
  267    H2*    C  27           H2*        C  27  35.185 -20.343  13.401
  268   2HO*    C  27          2HO*        C  27  37.144 -20.862  12.729
  269    H1*    C  27           H1*        C  27  34.825 -19.934  10.648
  270   1H4     C  27          1H4         C  27  29.873 -17.137  14.040
  271   2H4     C  27          2H4         C  27  31.002 -15.877  13.596
  272    H5     C  27           H5         C  27  30.254 -19.331  13.693
  273    H6     C  27           H6         C  27  31.610 -21.090  12.406
  274   1H5*    C  28          1H5*        C  28  38.664 -21.296  13.756
  275   2H5*    C  28          2H5*        C  28  38.807 -22.080  15.339
  276    H4*    C  28           H4*        C  28  39.820 -19.674  14.963
  277    H3*    C  28           H3*        C  28  38.301 -20.735  17.293
  278    H2*    C  28           H2*        C  28  38.148 -18.718  18.396
  279   2HO*    C  28          2HO*        C  28  40.181 -17.782  16.614
  280    H1*    C  28           H1*        C  28  37.657 -17.037  16.212
  281   1H4     C  28          1H4         C  28  31.984 -19.973  17.924
  282   2H4     C  28          2H4         C  28  32.030 -18.438  18.776
  283    H5     C  28           H5         C  28  33.838 -20.899  16.823
  284    H6     C  28           H6         C  28  35.974 -20.331  15.590
  285   1H5*    G  29          1H5*        G  29  40.855 -19.484  19.239
  286   2H5*    G  29          2H5*        G  29  41.678 -20.126  20.672
  287    H4*    G  29           H4*        G  29  39.821 -18.481  21.125
  288    H3*    G  29           H3*        G  29  39.056 -21.258  22.097
  289    H2*    G  29           H2*        G  29  37.217 -20.190  23.117
  290   2HO*    G  29          2HO*        G  29  37.100 -17.922  23.277
  291    H1*    G  29           H1*        G  29  36.885 -18.341  20.984
  292    H8     G  29           H8         G  29  36.867 -21.591  19.069
  293    H1     G  29           H1         G  29  31.104 -19.813  21.320
  294   1H2     G  29          1H2         G  29  33.141 -17.763  23.581
  295   2H2     G  29          2H2         G  29  31.529 -18.231  23.092
  296   1H5*    G  30          1H5*        G  30  39.098 -18.974  25.035
  297   2H5*    G  30          2H5*        G  30  39.231 -19.371  26.760
  298    H4*    G  30           H4*        G  30  36.961 -18.649  25.947
  299    H3*    G  30           H3*        G  30  37.268 -21.421  27.120
  300    H2*    G  30           H2*        G  30  35.054 -21.886  26.637
  301   2HO*    G  30          2HO*        G  30  33.470 -20.172  26.645
  302    H1*    G  30           H1*        G  30  34.787 -19.562  24.881
  303    H8     G  30           H8         G  30  36.255 -22.057  22.456
  304    H1     G  30           H1         G  30  29.917 -22.611  23.123
  305   1H2     G  30          1H2         G  30  30.302 -20.878  26.141
  306   2H2     G  30          2H2         G  30  29.222 -21.658  25.005
  Start of MODEL    4
    1   1H5*    A   3          1H5*        A   3  26.251  -4.638  26.474
    2   2H5*    A   3          2H5*        A   3  24.625  -5.183  27.004
    3    H4*    A   3           H4*        A   3  24.359  -3.356  25.439
    4    H3*    A   3           H3*        A   3  23.995  -5.785  23.537
    5    H2*    A   3           H2*        A   3  23.366  -4.177  21.950
    6   2HO*    A   3          2HO*        A   3  22.771  -2.149  22.408
    7    H1*    A   3           H1*        A   3  25.688  -2.636  22.460
    8    H8     A   3           H8         A   3  27.212  -5.529  22.720
    9   1H6     A   3          1H6         A   3  28.038  -6.419  18.046
   10   2H6     A   3          2H6         A   3  27.225  -5.901  16.559
   11    H2     A   3           H2         A   3  23.839  -3.252  17.851
   12   1H5*    G   4          1H5*        G   4  20.992  -4.717  23.199
   13   2H5*    G   4          2H5*        G   4  19.316  -5.196  23.558
   14    H4*    G   4           H4*        G   4  19.330  -4.860  21.249
   15    H3*    G   4           H3*        G   4  20.472  -7.811  21.128
   16    H2*    G   4           H2*        G   4  20.360  -7.598  18.751
   17   2HO*    G   4          2HO*        G   4  18.672  -5.402  19.410
   18    H1*    G   4           H1*        G   4  21.372  -5.062  18.769
   19    H8     G   4           H8         G   4  23.634  -6.608  21.127
   20    H1     G   4           H1         G   4  24.715  -7.540  14.831
   21   1H2     G   4          1H2         G   4  21.229  -6.562  14.839
   22   2H2     G   4          2H2         G   4  22.605  -7.037  13.882
   23   1H5*    U   5          1H5*        U   5  16.555  -8.303  19.169
   24   2H5*    U   5          2H5*        U   5  15.729  -9.795  19.642
   25    H4*    U   5           H4*        U   5  15.893  -9.548  17.171
   26    H3*    U   5           H3*        U   5  17.817 -11.808  18.023
   27    H2*    U   5           H2*        U   5  18.025 -12.171  15.660
   28   2HO*    U   5          2HO*        U   5  15.745 -10.560  15.623
   29    H1*    U   5           H1*        U   5  18.436  -9.625  15.082
   30    H3     U   5           H3         U   5  22.688 -10.561  14.737
   31    H5     U   5           H5         U   5  22.102  -9.933  18.866
   32    H6     U   5           H6         U   5  19.690  -9.975  18.470
   33   1H5*    G   6          1H5*        G   6  15.981 -13.106  15.215
   34   2H5*    G   6          2H5*        G   6  15.405 -14.777  15.072
   35    H4*    G   6           H4*        G   6  16.961 -14.287  13.315
   36    H3*    G   6           H3*        G   6  18.204 -15.972  15.457
   37    H2*    G   6           H2*        G   6  20.163 -16.127  14.094
   38   2HO*    G   6          2HO*        G   6  18.324 -15.613  12.094
   39    H1*    G   6           H1*        G   6  19.980 -13.632  13.090
   40    H8     G   6           H8         G   6  19.943 -13.148  16.849
   41    H1     G   6           H1         G   6  25.685 -13.243  14.054
   42   1H2     G   6          1H2         G   6  24.001 -14.845  11.404
   43   2H2     G   6          2H2         G   6  25.508 -14.231  12.049
   44   1H5*    G   7          1H5*        G   7  19.579 -19.648  15.905
   45   2H5*    G   7          2H5*        G   7  19.150 -17.920  15.847
   46    H4*    G   7           H4*        G   7  20.578 -18.467  13.470
   47    H3*    G   7           H3*        G   7  21.708 -20.149  15.657
   48    H2*    G   7           H2*        G   7  23.547 -18.817  16.122
   49   2HO*    G   7          2HO*        G   7  23.737 -19.097  13.347
   50    H1*    G   7           H1*        G   7  23.138 -16.759  14.416
   51    H8     G   7           H8         G   7  21.226 -15.926  17.479
   52    H1     G   7           H1         G   7  27.535 -14.668  17.579
   53   1H2     G   7          1H2         G   7  27.504 -17.027  14.859
   54   2H2     G   7          2H2         G   7  28.459 -15.961  15.861
   55   1H5*   CH   8          1H5*       CH   8  22.532 -24.006  15.274
   56   2H5*   CH   8          2H5*       CH   8  21.982 -22.334  15.584
   57    H4*   CH   8           H4*       CH   8  24.753 -22.689  14.276
   58    H3*   CH   8           H3*       CH   8  24.493 -23.411  17.390
   59    H2*   CH   8           H2*       CH   8  26.776 -22.594  17.401
   60   2HO*   CH   8          2HO*       CH   8  27.877 -22.170  15.274
   61    H1*   CH   8           H1*       CH   8  26.509 -21.041  15.323
   62    HN3   CH   8           HN3       CH   8  29.010 -18.612  18.051
   63   1H4    CH   8          1H4        CH   8  28.743 -17.266  19.339
   64   2H4    CH   8          2H4        CH   8  27.361 -16.694  20.204
   65    H5    CH   8           H5        CH   8  25.107 -18.277  19.712
   66    H6    CH   8           H6        CH   8  24.333 -19.974  18.053
   67   1H5*    G   9          1H5*        G   9  22.119 -26.588  18.073
   68   2H5*    G   9          2H5*        G   9  21.070 -25.895  16.810
   69    H4*    G   9           H4*        G   9  20.413 -24.138  18.255
   70    H3*    G   9           H3*        G   9  23.092 -24.008  18.980
   71    H2*    G   9           H2*        G   9  22.937 -25.788  20.389
   72   2HO*    G   9          2HO*        G   9  22.751 -24.854  22.625
   73    H1*    G   9           H1*        G   9  20.310 -24.583  21.291
   74    H8     G   9           H8         G   9  19.309 -25.997  23.277
   75    H1     G   9           H1         G   9  23.193 -30.938  22.180
   76   1H2     G   9          1H2         G   9  24.252 -29.075  19.425
   77   2H2     G   9          2H2         G   9  24.409 -30.549  20.355
   78   1H5*    C  10          1H5*        C  10  22.135 -23.042  22.566
   79   2H5*    C  10          2H5*        C  10  21.233 -21.863  23.481
   80    H4*    C  10           H4*        C  10  23.155 -22.015  24.909
   81    H3*    C  10           H3*        C  10  24.627 -20.303  22.853
   82    H2*    C  10           H2*        C  10  26.238 -20.204  24.366
   83   2HO*    C  10          2HO*        C  10  24.217 -21.065  26.079
   84    H1*    C  10           H1*        C  10  26.157 -22.939  24.690
   85   1H4     C  10          1H4         C  10  29.090 -23.947  19.093
   86   2H4     C  10          2H4         C  10  30.417 -23.557  20.181
   87    H5     C  10           H5         C  10  26.801 -23.567  19.630
   88    H6     C  10           H6         C  10  25.273 -23.081  21.250
   89   1H5*    C  11          1H5*        C  11  23.840 -17.907  25.896
   90   2H5*    C  11          2H5*        C  11  23.635 -16.166  26.095
   91    H4*    C  11           H4*        C  11  25.900 -16.840  26.802
   92    H3*    C  11           H3*        C  11  25.942 -15.410  24.118
   93    H2*    C  11           H2*        C  11  28.314 -15.500  24.244
   94   2HO*    C  11          2HO*        C  11  29.380 -16.015  26.184
   95    H1*    C  11           H1*        C  11  28.321 -18.034  25.492
   96   1H4     C  11          1H4         C  11  29.050 -20.551  19.836
   97   2H4     C  11          2H4         C  11  30.600 -20.109  20.375
   98    H5     C  11           H5         C  11  26.899 -19.723  20.922
   99    H6     C  11           H6         C  11  26.183 -18.327  22.618
  100   1H5*    G  12          1H5*        G  12  27.585 -12.257  26.416
  101   2H5*    G  12          2H5*        G  12  27.179 -10.597  25.860
  102    H4*    G  12           H4*        G  12  29.677 -11.266  25.657
  103    H3*    G  12           H3*        G  12  28.376 -10.839  22.886
  104    H2*    G  12           H2*        G  12  30.402 -11.055  22.029
  105   2HO*    G  12          2HO*        G  12  31.302 -10.495  24.575
  106    H1*    G  12           H1*        G  12  31.258 -13.088  23.465
  107    H8     G  12           H8         G  12  27.775 -14.034  22.693
  108    H1     G  12           H1         G  12  32.415 -16.425  18.914
  109   1H2     G  12          1H2         G  12  34.404 -14.004  20.499
  110   2H2     G  12          2H2         G  12  34.321 -15.335  19.361
  111   1H5*    A  13          1H5*        A  13  32.440  -7.146  21.852
  112   2H5*    A  13          2H5*        A  13  31.584  -8.047  20.594
  113    H4*    A  13           H4*        A  13  33.789  -8.424  20.067
  114    H3*    A  13           H3*        A  13  32.423 -10.616  21.275
  115    H2*    A  13           H2*        A  13  33.890 -11.412  22.772
  116   2HO*    A  13          2HO*        A  13  35.153 -11.745  20.388
  117    H1*    A  13           H1*        A  13  36.212  -9.786  22.241
  118    H8     A  13           H8         A  13  33.251 -10.391  24.694
  119   1H6     A  13          1H6         A  13  35.552  -9.184  28.729
  120   2H6     A  13          2H6         A  13  37.113  -8.467  29.056
  121    H2     A  13           H2         A  13  39.101  -7.819  25.075
  122   1H5*    C  14          1H5*        C  14  35.317 -13.087  18.865
  123   2H5*    C  14          2H5*        C  14  36.556 -12.803  17.661
  124    H4*    C  14           H4*        C  14  35.678 -14.677  16.755
  125    H3*    C  14           H3*        C  14  33.958 -12.420  15.748
  126    H2*    C  14           H2*        C  14  32.256 -13.984  14.971
  127   2HO*    C  14          2HO*        C  14  32.754 -16.107  14.648
  128    H1*    C  14           H1*        C  14  32.510 -15.795  16.816
  129   1H4     C  14          1H4         C  14  28.508 -12.157  20.251
  130   2H4     C  14          2H4         C  14  27.500 -13.206  19.288
  131    H5     C  14           H5         C  14  30.921 -11.958  19.863
  132    H6     C  14           H6         C  14  32.764 -12.687  18.442
  133   1H5*    C  15          1H5*        C  15  34.271 -14.751  11.451
  134   2H5*    C  15          2H5*        C  15  34.263 -13.248  10.525
  135    H4*    C  15           H4*        C  15  32.532 -15.112  10.000
  136    H3*    C  15           H3*        C  15  31.704 -12.218  10.207
  137    H2*    C  15           H2*        C  15  29.589 -12.852   9.590
  138   2HO*    C  15          2HO*        C  15  29.308 -14.911   8.853
  139    H1*    C  15           H1*        C  15  29.368 -15.149  11.044
  140   1H4     C  15          1H4         C  15  28.316 -11.599  16.344
  141   2H4     C  15          2H4         C  15  26.746 -12.167  15.843
  142    H5     C  15           H5         C  15  30.229 -11.801  15.141
  143    H6     C  15           H6         C  15  31.305 -12.574  13.068
  144   1H5*    A  16          1H5*        A  16  29.066 -13.709   6.554
  145   2H5*    A  16          2H5*        A  16  29.143 -12.153   5.797
  146    H4*    A  16           H4*        A  16  26.836 -13.005   6.470
  147    H3*    A  16           H3*        A  16  27.620 -10.224   7.421
  148    H2*    A  16           H2*        A  16  25.334 -10.274   8.574
  149   2HO*    A  16          2HO*        A  16  24.892 -12.160   6.446
  150    H1*    A  16           H1*        A  16  25.224 -12.750   9.018
  151    H8     A  16           H8         A  16  28.436 -11.206  10.482
  152   1H6     A  16          1H6         A  16  26.711 -10.535  14.859
  153   2H6     A  16          2H6         A  16  25.080 -10.434  15.541
  154    H2     A  16           H2         A  16  22.249 -11.147  12.135
  155   1H5*    C  17          1H5*        C  17  24.343  -9.739   6.072
  156   2H5*    C  17          2H5*        C  17  23.909  -8.210   5.304
  157    H4*    C  17           H4*        C  17  22.542  -8.546   7.274
  158    H3*    C  17           H3*        C  17  24.666  -6.455   7.755
  159    H2*    C  17           H2*        C  17  23.438  -5.942   9.764
  160   2HO*    C  17          2HO*        C  17  21.439  -7.074  10.152
  161    H1*    C  17           H1*        C  17  22.833  -8.507  10.260
  162   1H4     C  17          1H4         C  17  28.148  -8.599  13.901
  163   2H4     C  17          2H4         C  17  26.811  -8.116  14.883
  164    H5     C  17           H5         C  17  27.990  -8.672  11.223
  165    H6     C  17           H6         C  17  26.383  -8.556   9.465
  166   1H5*    U  18          1H5*        U  18  21.221  -1.939   8.422
  167   2H5*    U  18          2H5*        U  18  22.942  -2.160   8.617
  168    H4*    U  18           H4*        U  18  20.716  -3.285  10.383
  169    H3*    U  18           H3*        U  18  21.985  -0.792  10.592
  170    H2*    U  18           H2*        U  18  23.667  -1.491  12.288
  171   2HO*    U  18          2HO*        U  18  21.057  -1.459  13.277
  172    H1*    U  18           H1*        U  18  21.970  -3.639  12.962
  173    H3     U  18           H3         U  18  25.306  -4.494  15.870
  174    H5     U  18           H5         U  18  26.575  -5.594  12.039
  175    H6     U  18           H6         U  18  24.847  -4.322  11.143
  176   1H5*    U  19          1H5*        U  19  18.231  -2.592  12.217
  177   2H5*    U  19          2H5*        U  19  16.914  -1.720  11.511
  178    H4*    U  19           H4*        U  19  16.124  -2.540  13.751
  179    H3*    U  19           H3*        U  19  15.898   0.273  13.566
  180    H2*    U  19           H2*        U  19  18.357   0.560  14.442
  181   2HO*    U  19          2HO*        U  19  16.447   0.794  16.588
  182    H1*    U  19           H1*        U  19  17.224  -1.225  16.559
  183    H3     U  19           H3         U  19  20.747  -1.253  19.336
  184    H5     U  19           H5         U  19  22.518  -0.553  15.555
  185    H6     U  19           H6         U  19  20.410  -0.516  14.634
  186   1H5*    A  20          1H5*        A  20  14.319  -1.288  11.798
  187   2H5*    A  20          2H5*        A  20  12.662  -1.861  12.085
  188    H4*    A  20           H4*        A  20  13.891  -3.286  10.367
  189    H3*    A  20           H3*        A  20  13.155  -4.502  13.077
  190    H2*    A  20           H2*        A  20  13.989  -6.537  12.513
  191   2HO*    A  20          2HO*        A  20  13.949  -7.268  10.491
  192    H1*    A  20           H1*        A  20  16.068  -5.610  10.892
  193    H8     A  20           H8         A  20  14.774  -5.925  14.478
  194   1H6     A  20          1H6         A  20  18.973  -6.027  16.850
  195   2H6     A  20          2H6         A  20  20.634  -5.844  16.344
  196    H2     A  20           H2         A  20  20.574  -5.167  11.895
  197   1H5*    A  21          1H5*        A  21  12.389  -7.105   9.249
  198   2H5*    A  21          2H5*        A  21  10.889  -7.968   9.646
  199    H4*    A  21           H4*        A  21  12.579  -9.588   8.901
  200    H3*    A  21           H3*        A  21  11.646  -9.569  11.758
  201    H2*    A  21           H2*        A  21  13.454 -10.685  12.614
  202   2HO*    A  21          2HO*        A  21  13.780 -12.099  10.217
  203    H1*    A  21           H1*        A  21  15.186 -10.766  10.466
  204    H8     A  21           H8         A  21  15.008  -9.875  13.942
  205   1H6     A  21          1H6         A  21  20.562  -7.340  13.155
  206   2H6     A  21          2H6         A  21  19.434  -7.962  14.336
  207    H2     A  21           H2         A  21  18.725  -7.867   9.127
  208   1H5*    A  22          1H5*        A  22  12.271 -14.841   8.246
  209   2H5*    A  22          2H5*        A  22  13.698 -14.861   9.283
  210    H4*    A  22           H4*        A  22  13.228 -12.966   6.901
  211    H3*    A  22           H3*        A  22  15.021 -15.318   7.584
  212    H2*    A  22           H2*        A  22  16.944 -14.297   7.069
  213   2HO*    A  22          2HO*        A  22  16.943 -12.784   5.193
  214    H1*    A  22           H1*        A  22  15.929 -11.608   6.682
  215    H8     A  22           H8         A  22  16.322 -12.670  10.250
  216   1H6     A  22          1H6         A  22  22.071 -10.525   9.964
  217   2H6     A  22          2H6         A  22  20.854 -11.196  11.026
  218    H2     A  22           H2         A  22  20.443 -10.412   5.979
  219   1H5*    A  23          1H5*        A  23  16.706 -15.002   4.164
  220   2H5*    A  23          2H5*        A  23  16.391 -16.471   3.222
  221    H4*    A  23           H4*        A  23  18.673 -16.403   3.105
  222    H3*    A  23           H3*        A  23  18.272 -17.758   5.853
  223    H2*    A  23           H2*        A  23  20.841 -18.131   5.733
  224   2HO*    A  23          2HO*        A  23  20.704 -18.436   3.459
  225    H1*    A  23           H1*        A  23  21.215 -15.510   4.945
  226    H8     A  23           H8         A  23  18.410 -15.833   7.656
  227   1H6     A  23          1H6         A  23  21.174 -14.356  11.401
  228   2H6     A  23          2H6         A  23  22.835 -13.868  11.484
  229    H2     A  23           H2         A  23  24.621 -14.436   7.399
  230   1H5*    A  24          1H5*        A  24  21.257 -21.844   4.354
  231   2H5*    A  24          2H5*        A  24  20.198 -22.509   5.613
  232    H4*    A  24           H4*        A  24  22.755 -22.468   6.187
  233    H3*    A  24           H3*        A  24  20.630 -21.873   8.086
  234    H2*    A  24           H2*        A  24  21.966 -20.522   9.230
  235   2HO*    A  24          2HO*        A  24  23.683 -21.454  10.232
  236    H1*    A  24           H1*        A  24  24.385 -20.908   7.495
  237    H8     A  24           H8         A  24  21.982 -18.322   9.204
  238   1H6     A  24          1H6         A  24  26.935 -14.774   9.574
  239   2H6     A  24          2H6         A  24  25.298 -15.022  10.127
  240    H2     A  24           H2         A  24  27.828 -17.983   6.667
  241   1H5*    C  25          1H5*        C  25  19.470 -25.648   9.464
  242   2H5*    C  25          2H5*        C  25  20.554 -24.247   9.454
  243    H4*    C  25           H4*        C  25  21.125 -25.703  11.315
  244    H3*    C  25           H3*        C  25  23.016 -24.835   9.554
  245    H2*    C  25           H2*        C  25  22.973 -26.485   8.104
  246   2HO*    C  25          2HO*        C  25  25.070 -26.560   9.523
  247    H1*    C  25           H1*        C  25  22.796 -28.704  10.125
  248   1H4     C  25          1H4         C  25  19.865 -32.542   6.085
  249   2H4     C  25          2H4         C  25  20.031 -31.396   4.774
  250    H5     C  25           H5         C  25  21.180 -29.295   5.042
  251    H6     C  25           H6         C  25  21.712 -27.552   6.662
  252   1H5*    A  26          1H5*        A  26  27.696 -25.600  11.368
  253   2H5*    A  26          2H5*        A  26  27.230 -23.993  11.891
  254    H4*    A  26           H4*        A  26  28.331 -24.846   9.210
  255    H3*    A  26           H3*        A  26  29.338 -23.430  11.586
  256    H2*    A  26           H2*        A  26  29.916 -21.441  10.635
  257   2HO*    A  26          2HO*        A  26  31.245 -22.741   9.076
  258    H1*    A  26           H1*        A  26  28.257 -21.268   8.426
  259    H8     A  26           H8         A  26  25.884 -21.973  11.117
  260   1H6     A  26          1H6         A  26  26.934 -16.345  13.442
  261   2H6     A  26          2H6         A  26  25.938 -17.774  13.571
  262    H2     A  26           H2         A  26  30.011 -17.185  10.269
  263   1H5*    C  27          1H5*        C  27  34.811 -24.441  11.703
  264   2H5*    C  27          2H5*        C  27  33.440 -24.033  12.817
  265    H4*    C  27           H4*        C  27  34.288 -22.239  10.462
  266    H3*    C  27           H3*        C  27  35.575 -21.503  13.208
  267    H2*    C  27           H2*        C  27  34.836 -19.456  12.873
  268   2HO*    C  27          2HO*        C  27  36.463 -19.202  11.304
  269    H1*    C  27           H1*        C  27  33.342 -20.042  10.365
  270   1H4     C  27          1H4         C  27  30.434 -15.084  13.085
  271   2H4     C  27          2H4         C  27  29.333 -16.210  13.850
  272    H5     C  27           H5         C  27  29.787 -18.505  14.031
  273    H6     C  27           H6         C  27  30.898 -20.406  12.898
  274   1H5*    C  28          1H5*        C  28  38.845 -21.105  14.587
  275   2H5*    C  28          2H5*        C  28  37.133 -20.876  14.991
  276    H4*    C  28           H4*        C  28  39.285 -18.726  14.875
  277    H3*    C  28           H3*        C  28  38.002 -20.320  17.003
  278    H2*    C  28           H2*        C  28  37.147 -18.612  18.252
  279   2HO*    C  28          2HO*        C  28  38.852 -17.484  18.850
  280    H1*    C  28           H1*        C  28  36.904 -16.507  16.371
  281   1H4     C  28          1H4         C  28  31.191 -19.734  17.204
  282   2H4     C  28          2H4         C  28  31.158 -18.418  18.349
  283    H5     C  28           H5         C  28  32.994 -20.296  15.867
  284    H6     C  28           H6         C  28  35.234 -19.588  15.037
  285   1H5*    G  29          1H5*        G  29  41.137 -18.696  19.303
  286   2H5*    G  29          2H5*        G  29  41.999 -19.728  20.454
  287    H4*    G  29           H4*        G  29  40.498 -17.852  21.389
  288    H3*    G  29           H3*        G  29  39.646 -20.640  22.290
  289    H2*    G  29           H2*        G  29  37.892 -19.670  23.471
  290   2HO*    G  29          2HO*        G  29  39.639 -17.560  23.590
  291    H1*    G  29           H1*        G  29  37.384 -17.570  21.659
  292    H8     G  29           H8         G  29  37.426 -20.577  19.363
  293    H1     G  29           H1         G  29  31.644 -19.107  21.755
  294   1H2     G  29          1H2         G  29  33.652 -17.288  24.227
  295   2H2     G  29          2H2         G  29  32.051 -17.716  23.676
  296   1H5*    G  30          1H5*        G  30  40.362 -22.972  25.554
  297   2H5*    G  30          2H5*        G  30  40.299 -22.468  23.843
  298    H4*    G  30           H4*        G  30  38.819 -20.585  25.408
  299    H3*    G  30           H3*        G  30  38.317 -23.452  26.209
  300    H2*    G  30           H2*        G  30  36.064 -23.293  25.812
  301   2HO*    G  30          2HO*        G  30  36.449 -20.994  27.198
  302    H1*    G  30           H1*        G  30  36.210 -20.769  24.372
  303    H8     G  30           H8         G  30  37.111 -23.104  21.563
  304    H1     G  30           H1         G  30  30.815 -22.677  22.457
  305   1H2     G  30          1H2         G  30  31.507 -21.448  25.660
  306   2H2     G  30          2H2         G  30  30.298 -21.878  24.463
  Start of MODEL    5
    1   1H5*    A   3          1H5*        A   3  25.917  -3.719  25.861
    2   2H5*    A   3          2H5*        A   3  24.255  -3.821  26.527
    3    H4*    A   3           H4*        A   3  24.087  -2.239  24.825
    4    H3*    A   3           H3*        A   3  23.493  -4.768  23.131
    5    H2*    A   3           H2*        A   3  22.991  -3.273  21.397
    6   2HO*    A   3          2HO*        A   3  22.505  -1.187  21.672
    7    H1*    A   3           H1*        A   3  25.401  -1.807  21.794
    8    H8     A   3           H8         A   3  26.793  -4.752  22.156
    9   1H6     A   3          1H6         A   3  27.539  -5.850  17.533
   10   2H6     A   3          2H6         A   3  26.747  -5.361  16.025
   11    H2     A   3           H2         A   3  23.466  -2.530  17.234
   12   1H5*    G   4          1H5*        G   4  20.482  -3.620  22.797
   13   2H5*    G   4          2H5*        G   4  18.811  -4.106  23.131
   14    H4*    G   4           H4*        G   4  18.938  -4.009  20.812
   15    H3*    G   4           H3*        G   4  20.139  -6.936  21.010
   16    H2*    G   4           H2*        G   4  20.101  -6.895  18.587
   17   2HO*    G   4          2HO*        G   4  19.098  -5.229  17.485
   18    H1*    G   4           H1*        G   4  21.088  -4.388  18.469
   19    H8     G   4           H8         G   4  23.296  -5.795  21.009
   20    H1     G   4           H1         G   4  24.386  -7.296  14.844
   21   1H2     G   4          1H2         G   4  20.911  -6.281  14.725
   22   2H2     G   4          2H2         G   4  22.286  -6.863  13.827
   23   1H5*    U   5          1H5*        U   5  15.917  -8.385  19.436
   24   2H5*    U   5          2H5*        U   5  15.819 -10.073  19.832
   25    H4*    U   5           H4*        U   5  15.818  -9.269  17.291
   26    H3*    U   5           H3*        U   5  17.951 -11.453  17.874
   27    H2*    U   5           H2*        U   5  18.335 -11.444  15.583
   28   2HO*    U   5          2HO*        U   5  17.121 -10.370  14.121
   29    H1*    U   5           H1*        U   5  18.537  -8.850  15.333
   30    H3     U   5           H3         U   5  22.643 -10.308  15.011
   31    H5     U   5           H5         U   5  22.147  -9.100  19.008
   32    H6     U   5           H6         U   5  19.698  -9.057  18.622
   33   1H5*    G   6          1H5*        G   6  15.829 -12.908  15.289
   34   2H5*    G   6          2H5*        G   6  15.111 -14.514  15.076
   35    H4*    G   6           H4*        G   6  16.734 -14.123  13.342
   36    H3*    G   6           H3*        G   6  17.856 -15.916  15.504
   37    H2*    G   6           H2*        G   6  19.824 -16.130  14.192
   38   2HO*    G   6          2HO*        G   6  18.064 -15.498  12.150
   39    H1*    G   6           H1*        G   6  19.802 -13.641  13.231
   40    H8     G   6           H8         G   6  19.626 -13.232  16.994
   41    H1     G   6           H1         G   6  25.503 -13.655  14.507
   42   1H2     G   6          1H2         G   6  23.838 -15.086  11.726
   43   2H2     G   6          2H2         G   6  25.362 -14.593  12.437
   44   1H5*    G   7          1H5*        G   7  18.830 -19.684  16.104
   45   2H5*    G   7          2H5*        G   7  18.393 -17.963  16.109
   46    H4*    G   7           H4*        G   7  20.133 -18.308  13.916
   47    H3*    G   7           H3*        G   7  20.970 -20.195  16.082
   48    H2*    G   7           H2*        G   7  22.765 -18.975  16.763
   49   2HO*    G   7          2HO*        G   7  23.255 -19.183  14.035
   50    H1*    G   7           H1*        G   7  22.568 -16.863  15.010
   51    H8     G   7           H8         G   7  20.781 -15.808  18.082
   52    H1     G   7           H1         G   7  27.210 -15.040  18.156
   53   1H2     G   7          1H2         G   7  26.917 -17.445  15.469
   54   2H2     G   7          2H2         G   7  27.958 -16.447  16.457
   55   1H5*   CH   8          1H5*       CH   8  22.917 -24.258  15.197
   56   2H5*   CH   8          2H5*       CH   8  22.293 -22.784  15.986
   57    H4*   CH   8           H4*       CH   8  25.115 -22.977  14.594
   58    H3*   CH   8           H3*       CH   8  24.843 -23.506  17.755
   59    H2*   CH   8           H2*       CH   8  27.147 -22.751  17.675
   60   2HO*   CH   8          2HO*       CH   8  28.194 -22.394  15.548
   61    H1*   CH   8           H1*       CH   8  26.873 -21.212  15.651
   62    HN3   CH   8           HN3       CH   8  29.022 -18.746  18.624
   63   1H4    CH   8          1H4        CH   8  26.720 -17.115  20.649
   64   2H4    CH   8          2H4        CH   8  28.389 -17.104  20.277
   65    H5    CH   8           H5        CH   8  25.010 -18.622  19.944
   66    H6    CH   8           H6        CH   8  24.459 -20.317  18.212
   67   1H5*    G   9          1H5*        G   9  22.817 -26.929  18.648
   68   2H5*    G   9          2H5*        G   9  21.461 -26.061  17.890
   69    H4*    G   9           H4*        G   9  21.297 -24.612  19.716
   70    H3*    G   9           H3*        G   9  24.184 -24.604  19.545
   71    H2*    G   9           H2*        G   9  24.891 -25.454  21.582
   72   2HO*    G   9          2HO*        G   9  23.123 -23.701  22.464
   73    H1*    G   9           H1*        G   9  22.981 -27.057  22.413
   74    H8     G   9           H8         G   9  22.948 -29.414  20.915
   75    H1     G   9           H1         G   9  27.896 -27.055  17.660
   76   1H2     G   9          1H2         G   9  26.935 -23.992  19.017
   77   2H2     G   9          2H2         G   9  28.049 -24.867  17.991
   78   1H5*    C  10          1H5*        C  10  21.859 -23.149  23.875
   79   2H5*    C  10          2H5*        C  10  20.986 -21.663  24.180
   80    H4*    C  10           H4*        C  10  22.795 -21.748  25.846
   81    H3*    C  10           H3*        C  10  24.282 -20.136  23.685
   82    H2*    C  10           H2*        C  10  25.877 -19.874  25.181
   83   2HO*    C  10          2HO*        C  10  25.676 -20.593  27.282
   84    H1*    C  10           H1*        C  10  25.883 -22.587  25.732
   85   1H4     C  10          1H4         C  10  28.821 -23.985  20.211
   86   2H4     C  10          2H4         C  10  30.126 -23.532  21.304
   87    H5     C  10           H5         C  10  26.476 -23.548  20.680
   88    H6     C  10           H6         C  10  24.929 -22.970  22.284
   89   1H5*    C  11          1H5*        C  11  23.829 -17.687  26.583
   90   2H5*    C  11          2H5*        C  11  23.791 -15.925  26.678
   91    H4*    C  11           H4*        C  11  25.993 -16.808  27.404
   92    H3*    C  11           H3*        C  11  26.086 -15.380  24.725
   93    H2*    C  11           H2*        C  11  28.453 -15.675  24.779
   94   2HO*    C  11          2HO*        C  11  29.516 -16.314  26.687
   95    H1*    C  11           H1*        C  11  28.296 -18.191  26.026
   96   1H4     C  11          1H4         C  11  28.456 -20.800  20.334
   97   2H4     C  11          2H4         C  11  30.076 -20.551  20.788
   98    H5     C  11           H5         C  11  26.518 -19.768  21.492
   99    H6     C  11           H6         C  11  25.998 -18.275  23.215
  100   1H5*    G  12          1H5*        G  12  27.987 -12.354  26.948
  101   2H5*    G  12          2H5*        G  12  27.691 -10.676  26.394
  102    H4*    G  12           H4*        G  12  30.096 -11.506  26.059
  103    H3*    G  12           H3*        G  12  28.693 -11.170  23.328
  104    H2*    G  12           H2*        G  12  30.750 -11.455  22.443
  105   2HO*    G  12          2HO*        G  12  31.658 -10.948  25.031
  106    H1*    G  12           H1*        G  12  31.453 -13.466  23.951
  107    H8     G  12           H8         G  12  27.965 -14.288  23.141
  108    H1     G  12           H1         G  12  32.416 -16.828  19.453
  109   1H2     G  12          1H2         G  12  34.631 -14.585  20.946
  110   2H2     G  12          2H2         G  12  34.411 -15.903  19.802
  111   1H5*    A  13          1H5*        A  13  31.393  -7.648  20.829
  112   2H5*    A  13          2H5*        A  13  30.780  -9.138  20.104
  113    H4*    A  13           H4*        A  13  33.043  -8.886  19.254
  114    H3*    A  13           H3*        A  13  32.543 -11.010  21.246
  115    H2*    A  13           H2*        A  13  34.395 -10.583  22.433
  116   2HO*    A  13          2HO*        A  13  35.293 -11.787  20.042
  117    H1*    A  13           H1*        A  13  35.464  -9.012  20.046
  118    H8     A  13           H8         A  13  34.974  -7.526  23.444
  119   1H6     A  13          1H6         A  13  41.038  -7.923  24.408
  120   2H6     A  13          2H6         A  13  39.524  -7.300  25.022
  121    H2     A  13           H2         A  13  40.077 -10.175  20.634
  122   1H5*    C  14          1H5*        C  14  34.746 -13.483  18.973
  123   2H5*    C  14          2H5*        C  14  36.114 -13.584  17.954
  124    H4*    C  14           H4*        C  14  35.351 -15.483  17.142
  125    H3*    C  14           H3*        C  14  33.697 -13.406  15.856
  126    H2*    C  14           H2*        C  14  31.879 -14.899  15.334
  127   2HO*    C  14          2HO*        C  14  32.237 -17.055  15.112
  128    H1*    C  14           H1*        C  14  32.037 -16.637  17.303
  129   1H4     C  14          1H4         C  14  28.446 -12.590  20.727
  130   2H4     C  14          2H4         C  14  27.352 -13.592  19.799
  131    H5     C  14           H5         C  14  30.852 -12.600  20.275
  132    H6     C  14           H6         C  14  32.553 -13.490  18.810
  133   1H5*    C  15          1H5*        C  15  34.406 -14.274  11.122
  134   2H5*    C  15          2H5*        C  15  33.684 -12.677  10.955
  135    H4*    C  15           H4*        C  15  32.522 -15.190  10.388
  136    H3*    C  15           H3*        C  15  31.139 -12.512  10.720
  137    H2*    C  15           H2*        C  15  29.235 -13.661  10.069
  138   2HO*    C  15          2HO*        C  15  29.401 -15.430   9.064
  139    H1*    C  15           H1*        C  15  29.561 -15.833  11.741
  140   1H4     C  15          1H4         C  15  28.078 -12.191  16.900
  141   2H4     C  15          2H4         C  15  26.510 -12.683  16.333
  142    H5     C  15           H5         C  15  29.998 -12.494  15.891
  143    H6     C  15           H6         C  15  31.174 -13.239  13.861
  144   1H5*    A  16          1H5*        A  16  29.389 -13.528   7.294
  145   2H5*    A  16          2H5*        A  16  29.068 -12.153   6.368
  146    H4*    A  16           H4*        A  16  27.002 -13.332   6.858
  147    H3*    A  16           H3*        A  16  27.182 -10.627   8.217
  148    H2*    A  16           H2*        A  16  24.890 -11.175   9.140
  149   2HO*    A  16          2HO*        A  16  23.670 -12.763   8.238
  150    H1*    A  16           H1*        A  16  25.292 -13.580   9.602
  151    H8     A  16           H8         A  16  28.379 -11.869  11.009
  152   1H6     A  16          1H6         A  16  26.661 -10.549  15.164
  153   2H6     A  16          2H6         A  16  25.044 -10.242  15.812
  154    H2     A  16           H2         A  16  22.194 -11.242  12.505
  155   1H5*    C  17          1H5*        C  17  24.344 -10.234   6.370
  156   2H5*    C  17          2H5*        C  17  23.741  -8.854   5.447
  157    H4*    C  17           H4*        C  17  22.351  -9.199   7.406
  158    H3*    C  17           H3*        C  17  24.111  -6.744   7.524
  159    H2*    C  17           H2*        C  17  23.188  -6.173   9.594
  160   2HO*    C  17          2HO*        C  17  21.233  -7.210  10.316
  161    H1*    C  17           H1*        C  17  22.575  -8.719  10.367
  162   1H4     C  17          1H4         C  17  27.815  -8.479  14.054
  163   2H4     C  17          2H4         C  17  26.477  -7.894  14.975
  164    H5     C  17           H5         C  17  27.684  -8.778  11.414
  165    H6     C  17           H6         C  17  26.095  -8.802   9.646
  166   1H5*    U  18          1H5*        U  18  20.553  -3.144   7.645
  167   2H5*    U  18          2H5*        U  18  22.172  -2.451   7.703
  168    H4*    U  18           H4*        U  18  20.261  -3.278   9.897
  169    H3*    U  18           H3*        U  18  21.532  -0.768   9.407
  170    H2*    U  18           H2*        U  18  23.222  -1.048  11.261
  171   2HO*    U  18          2HO*        U  18  21.714  -1.461  13.263
  172    H1*    U  18           H1*        U  18  21.618  -3.038  12.450
  173    H3     U  18           H3         U  18  24.900  -3.905  15.272
  174    H5     U  18           H5         U  18  26.094  -5.244  11.464
  175    H6     U  18           H6         U  18  24.411  -3.964  10.508
  176   1H5*    U  19          1H5*        U  19  18.169  -2.124  12.059
  177   2H5*    U  19          2H5*        U  19  16.964  -1.062  11.373
  178    H4*    U  19           H4*        U  19  16.167  -1.798  13.667
  179    H3*    U  19           H3*        U  19  16.157   0.994  13.359
  180    H2*    U  19           H2*        U  19  18.672   1.139  14.143
  181   2HO*    U  19          2HO*        U  19  17.114   2.661  15.133
  182    H1*    U  19           H1*        U  19  17.508  -0.446  16.388
  183    H3     U  19           H3         U  19  21.172  -0.427  18.975
  184    H5     U  19           H5         U  19  22.789  -0.153  15.074
  185    H6     U  19           H6         U  19  20.629  -0.140  14.238
  186   1H5*    A  20          1H5*        A  20  13.391  -1.011  12.053
  187   2H5*    A  20          2H5*        A  20  12.087  -1.704  13.043
  188    H4*    A  20           H4*        A  20  13.064  -3.320  11.265
  189    H3*    A  20           H3*        A  20  13.079  -3.918  14.246
  190    H2*    A  20           H2*        A  20  14.203  -5.855  14.018
  191   2HO*    A  20          2HO*        A  20  14.252  -6.939  11.985
  192    H1*    A  20           H1*        A  20  15.667  -5.194  11.679
  193    H8     A  20           H8         A  20  15.232  -4.534  15.447
  194   1H6     A  20          1H6         A  20  21.329  -4.379  15.923
  195   2H6     A  20          2H6         A  20  19.818  -4.323  16.793
  196    H2     A  20           H2         A  20  20.391  -4.788  11.619
  197   1H5*    A  21          1H5*        A  21  10.202  -7.772  10.893
  198   2H5*    A  21          2H5*        A  21  11.045  -7.529  12.440
  199    H4*    A  21           H4*        A  21  12.173  -8.927   9.928
  200    H3*    A  21           H3*        A  21  11.508 -10.004  12.675
  201    H2*    A  21           H2*        A  21  13.642 -10.489  12.904
  202   2HO*    A  21          2HO*        A  21  12.972 -12.111  10.719
  203    H1*    A  21           H1*        A  21  14.264  -9.603   9.998
  204    H8     A  21           H8         A  21  15.392  -9.440  13.730
  205   1H6     A  21          1H6         A  21  19.869  -7.864  13.110
  206   2H6     A  21          2H6         A  21  20.895  -7.682  11.707
  207    H2     A  21           H2         A  21  18.444  -8.859   8.143
  208   1H5*    A  22          1H5*        A  22  12.631 -14.704   8.850
  209   2H5*    A  22          2H5*        A  22  13.395 -13.713  10.080
  210    H4*    A  22           H4*        A  22  13.232 -12.580   7.315
  211    H3*    A  22           H3*        A  22  14.700 -15.082   8.135
  212    H2*    A  22           H2*        A  22  16.744 -14.237   7.987
  213   2HO*    A  22          2HO*        A  22  17.357 -14.210   5.978
  214    H1*    A  22           H1*        A  22  15.946 -11.571   7.013
  215    H8     A  22           H8         A  22  16.292 -11.763  10.682
  216   1H6     A  22          1H6         A  22  22.360 -10.839   9.942
  217   2H6     A  22          2H6         A  22  21.091 -10.981  11.137
  218    H2     A  22           H2         A  22  20.627 -11.476   6.057
  219   1H5*    A  23          1H5*        A  23  16.656 -14.929   4.513
  220   2H5*    A  23          2H5*        A  23  16.230 -16.422   3.659
  221    H4*    A  23           H4*        A  23  18.524 -16.493   3.540
  222    H3*    A  23           H3*        A  23  18.030 -17.736   6.323
  223    H2*    A  23           H2*        A  23  20.585 -18.286   6.215
  224   2HO*    A  23          2HO*        A  23  21.555 -17.507   4.285
  225    H1*    A  23           H1*        A  23  21.124 -15.724   5.341
  226    H8     A  23           H8         A  23  18.298 -15.795   8.033
  227   1H6     A  23          1H6         A  23  21.095 -14.187  11.683
  228   2H6     A  23          2H6         A  23  22.804 -13.870  11.777
  229    H2     A  23           H2         A  23  24.586 -14.836   7.775
  230   1H5*    A  24          1H5*        A  24  19.377 -22.423   6.046
  231   2H5*    A  24          2H5*        A  24  19.847 -21.887   7.688
  232    H4*    A  24           H4*        A  24  21.188 -20.974   5.107
  233    H3*    A  24           H3*        A  24  21.645 -23.337   6.790
  234    H2*    A  24           H2*        A  24  23.226 -22.365   8.017
  235   2HO*    A  24          2HO*        A  24  24.859 -23.475   7.021
  236    H1*    A  24           H1*        A  24  23.544 -20.159   5.927
  237    H8     A  24           H8         A  24  22.335 -20.188   9.342
  238   1H6     A  24          1H6         A  24  26.571 -15.779  10.427
  239   2H6     A  24          2H6         A  24  25.090 -16.497  11.012
  240    H2     A  24           H2         A  24  27.596 -17.922   6.576
  241   1H5*    C  25          1H5*        C  25  21.770 -27.462   5.696
  242   2H5*    C  25          2H5*        C  25  21.346 -25.951   6.494
  243    H4*    C  25           H4*        C  25  22.680 -27.101   7.989
  244    H3*    C  25           H3*        C  25  23.409 -24.629   7.117
  245    H2*    C  25           H2*        C  25  25.176 -25.036   5.875
  246   2HO*    C  25          2HO*        C  25  27.157 -25.018   7.168
  247    H1*    C  25           H1*        C  25  26.109 -27.316   7.627
  248   1H4     C  25          1H4         C  25  29.980 -28.154   2.730
  249   2H4     C  25          2H4         C  25  28.637 -28.211   1.611
  250    H5     C  25           H5         C  25  26.372 -28.120   2.337
  251    H6     C  25           H6         C  25  24.885 -27.172   4.162
  252   1H5*    A  26          1H5*        A  26  26.314 -24.450  11.861
  253   2H5*    A  26          2H5*        A  26  24.933 -24.158  10.801
  254    H4*    A  26           H4*        A  26  26.998 -24.579   8.987
  255    H3*    A  26           H3*        A  26  28.121 -23.272  11.429
  256    H2*    A  26           H2*        A  26  28.919 -21.422  10.361
  257   2HO*    A  26          2HO*        A  26  30.151 -22.593   8.852
  258    H1*    A  26           H1*        A  26  27.124 -21.206   8.225
  259    H8     A  26           H8         A  26  24.622 -21.043  10.595
  260   1H6     A  26          1H6         A  26  27.146 -16.176  13.507
  261   2H6     A  26          2H6         A  26  25.779 -17.260  13.512
  262    H2     A  26           H2         A  26  30.094 -17.744  10.485
  263   1H5*    C  27          1H5*        C  27  31.789 -23.637   9.782
  264   2H5*    C  27          2H5*        C  27  32.964 -24.621  10.676
  265    H4*    C  27           H4*        C  27  33.851 -22.339  10.513
  266    H3*    C  27           H3*        C  27  32.630 -22.392  13.250
  267    H2*    C  27           H2*        C  27  33.856 -20.350  13.500
  268   2HO*    C  27          2HO*        C  27  35.774 -20.932  12.587
  269    H1*    C  27           H1*        C  27  33.317 -19.623  10.792
  270   1H4     C  27          1H4         C  27  28.737 -16.620  14.442
  271   2H4     C  27          2H4         C  27  30.012 -15.468  14.117
  272    H5     C  27           H5         C  27  28.991 -18.865  14.117
  273    H6     C  27           H6         C  27  30.138 -20.628  12.616
  274   1H5*    C  28          1H5*        C  28  37.512 -21.181  13.497
  275   2H5*    C  28          2H5*        C  28  37.744 -22.199  14.928
  276    H4*    C  28           H4*        C  28  38.656 -19.757  14.969
  277    H3*    C  28           H3*        C  28  37.055 -21.114  17.096
  278    H2*    C  28           H2*        C  28  36.951 -19.238  18.443
  279   2HO*    C  28          2HO*        C  28  39.049 -18.570  18.479
  280    H1*    C  28           H1*        C  28  36.613 -17.282  16.468
  281   1H4     C  28          1H4         C  28  30.925 -20.214  18.221
  282   2H4     C  28          2H4         C  28  31.045 -18.770  19.209
  283    H5     C  28           H5         C  28  32.562 -20.955  16.784
  284    H6     C  28           H6         C  28  34.682 -20.374  15.540
  285   1H5*    G  29          1H5*        G  29  40.559 -20.505  19.095
  286   2H5*    G  29          2H5*        G  29  41.352 -21.644  20.192
  287    H4*    G  29           H4*        G  29  40.214 -19.642  21.272
  288    H3*    G  29           H3*        G  29  38.844 -22.254  22.034
  289    H2*    G  29           H2*        G  29  37.486 -20.968  23.479
  290   2HO*    G  29          2HO*        G  29  37.938 -18.783  23.899
  291    H1*    G  29           H1*        G  29  37.143 -18.872  21.617
  292    H8     G  29           H8         G  29  36.715 -21.889  19.387
  293    H1     G  29           H1         G  29  31.300 -19.690  22.093
  294   1H2     G  29          1H2         G  29  33.654 -18.145  24.444
  295   2H2     G  29          2H2         G  29  31.979 -18.367  23.993
  296   1H5*    G  30          1H5*        G  30  40.161 -20.690  25.298
  297   2H5*    G  30          2H5*        G  30  40.404 -21.466  26.874
  298    H4*    G  30           H4*        G  30  38.272 -20.138  26.576
  299    H3*    G  30           H3*        G  30  38.068 -23.099  27.168
  300    H2*    G  30           H2*        G  30  35.736 -22.947  27.096
  301   2HO*    G  30          2HO*        G  30  34.682 -20.903  27.468
  302    H1*    G  30           H1*        G  30  35.729 -20.512  25.554
  303    H8     G  30           H8         G  30  36.812 -22.979  22.888
  304    H1     G  30           H1         G  30  30.479 -22.519  23.541
  305   1H2     G  30          1H2         G  30  31.098 -21.105  26.682
  306   2H2     G  30          2H2         G  30  29.922 -21.602  25.483
  Start of MODEL    6
    1   1H5*    A   3          1H5*        A   3  23.999  -5.571  26.503
    2   2H5*    A   3          2H5*        A   3  22.263  -5.969  26.786
    3    H4*    A   3           H4*        A   3  22.301  -4.006  25.495
    4    H3*    A   3           H3*        A   3  22.098  -6.123  23.211
    5    H2*    A   3           H2*        A   3  21.972  -4.329  21.731
    6   2HO*    A   3          2HO*        A   3  21.324  -2.351  22.261
    7    H1*    A   3           H1*        A   3  24.192  -3.010  22.845
    8    H8     A   3           H8         A   3  25.607  -6.035  22.931
    9   1H6     A   3          1H6         A   3  27.142  -6.295  18.375
   10   2H6     A   3          2H6         A   3  26.590  -5.531  16.871
   11    H2     A   3           H2         A   3  23.099  -2.939  17.997
   12   1H5*    G   4          1H5*        G   4  19.096  -4.841  22.542
   13   2H5*    G   4          2H5*        G   4  17.375  -5.193  22.443
   14    H4*    G   4           H4*        G   4  18.034  -4.763  20.256
   15    H3*    G   4           H3*        G   4  18.850  -7.851  20.150
   16    H2*    G   4           H2*        G   4  19.819  -7.428  18.052
   17   2HO*    G   4          2HO*        G   4  17.979  -5.316  18.001
   18    H1*    G   4           H1*        G   4  20.609  -4.896  18.536
   19    H8     G   4           H8         G   4  22.482  -6.749  21.135
   20    H1     G   4           H1         G   4  24.354  -7.362  15.037
   21   1H2     G   4          1H2         G   4  20.929  -6.288  14.632
   22   2H2     G   4          2H2         G   4  22.401  -6.766  13.846
   23   1H5*    U   5          1H5*        U   5  15.738  -8.233  15.189
   24   2H5*    U   5          2H5*        U   5  14.416  -9.328  15.813
   25    H4*    U   5           H4*        U   5  16.033 -10.839  15.792
   26    H3*    U   5           H3*        U   5  16.233  -9.515  18.477
   27    H2*    U   5           H2*        U   5  18.259  -8.919  17.642
   28   2HO*    U   5          2HO*        U   5  17.947 -10.081  19.752
   29    H1*    U   5           H1*        U   5  18.388 -11.489  16.497
   30    H3     U   5           H3         U   5  22.658 -10.459  14.802
   31    H5     U   5           H5         U   5  22.489 -10.647  19.066
   32    H6     U   5           H6         U   5  20.232 -10.397  18.927
   33   1H5*    G   6          1H5*        G   6  15.780 -12.861  14.961
   34   2H5*    G   6          2H5*        G   6  15.559 -14.605  15.041
   35    H4*    G   6           H4*        G   6  17.507 -13.534  13.688
   36    H3*    G   6           H3*        G   6  18.018 -15.826  15.616
   37    H2*    G   6           H2*        G   6  20.220 -15.827  14.763
   38   2HO*    G   6          2HO*        G   6  20.733 -14.634  12.847
   39    H1*    G   6           H1*        G   6  20.241 -13.232  14.095
   40    H8     G   6           H8         G   6  20.326 -13.261  17.937
   41    H1     G   6           H1         G   6  25.901 -13.522  14.767
   42   1H2     G   6          1H2         G   6  23.933 -14.539  12.021
   43   2H2     G   6          2H2         G   6  25.530 -14.171  12.618
   44   1H5*    G   7          1H5*        G   7  19.528 -19.490  15.483
   45   2H5*    G   7          2H5*        G   7  19.231 -17.755  15.758
   46    H4*    G   7           H4*        G   7  20.685 -17.935  13.336
   47    H3*    G   7           H3*        G   7  21.594 -20.141  15.093
   48    H2*    G   7           H2*        G   7  23.415 -19.080  15.973
   49   2HO*    G   7          2HO*        G   7  23.889 -18.893  13.245
   50    H1*    G   7           H1*        G   7  23.345 -16.725  14.583
   51    H8     G   7           H8         G   7  21.509 -16.082  17.728
   52    H1     G   7           H1         G   7  27.929 -15.382  18.025
   53   1H2     G   7          1H2         G   7  27.685 -17.354  14.991
   54   2H2     G   7          2H2         G   7  28.718 -16.512  16.122
   55   1H5*   CH   8          1H5*       CH   8  23.826 -23.894  13.385
   56   2H5*   CH   8          2H5*       CH   8  23.169 -22.712  14.540
   57    H4*   CH   8           H4*       CH   8  26.035 -22.630  13.172
   58    H3*   CH   8           H3*       CH   8  25.714 -23.417  16.274
   59    H2*   CH   8           H2*       CH   8  28.089 -22.781  16.172
   60   2HO*   CH   8          2HO*       CH   8  29.008 -22.193  14.088
   61    H1*   CH   8           H1*       CH   8  27.782 -20.973  14.487
   62    HN3   CH   8           HN3       CH   8  29.762 -19.036  17.906
   63   1H4    CH   8          1H4        CH   8  27.393 -17.781  20.124
   64   2H4    CH   8          2H4        CH   8  29.076 -17.709  19.793
   65    H5    CH   8           H5        CH   8  25.718 -19.159  19.105
   66    H6    CH   8           H6        CH   8  25.247 -20.493  17.051
   67   1H5*    G   9          1H5*        G   9  24.121 -23.921  17.791
   68   2H5*    G   9          2H5*        G   9  25.559 -24.876  18.221
   69    H4*    G   9           H4*        G   9  22.607 -25.519  18.616
   70    H3*    G   9           H3*        G   9  24.839 -24.605  20.304
   71    H2*    G   9           H2*        G   9  25.002 -26.373  21.765
   72   2HO*    G   9          2HO*        G   9  23.049 -26.503  22.654
   73    H1*    G   9           H1*        G   9  24.154 -28.502  20.314
   74    H8     G   9           H8         G   9  26.744 -25.638  19.913
   75    H1     G   9           H1         G   9  29.120 -31.529  19.485
   76   1H2     G   9          1H2         G   9  25.799 -32.565  19.707
   77   2H2     G   9          2H2         G   9  27.481 -33.021  19.555
   78   1H5*    C  10          1H5*        C  10  21.299 -23.532  24.478
   79   2H5*    C  10          2H5*        C  10  21.044 -21.827  23.914
   80    H4*    C  10           H4*        C  10  22.168 -22.026  26.230
   81    H3*    C  10           H3*        C  10  23.985 -20.720  24.141
   82    H2*    C  10           H2*        C  10  25.539 -20.411  25.774
   83   2HO*    C  10          2HO*        C  10  23.362 -20.939  27.489
   84    H1*    C  10           H1*        C  10  25.392 -23.103  26.565
   85   1H4     C  10          1H4         C  10  28.873 -24.773  21.762
   86   2H4     C  10          2H4         C  10  29.996 -23.807  22.713
   87    H5     C  10           H5         C  10  26.587 -24.936  22.285
   88    H6     C  10           H6         C  10  24.701 -24.026  23.512
   89   1H5*    C  11          1H5*        C  11  23.823 -18.729  27.127
   90   2H5*    C  11          2H5*        C  11  24.231 -17.117  27.732
   91    H4*    C  11           H4*        C  11  26.229 -18.639  27.587
   92    H3*    C  11           H3*        C  11  26.216 -16.180  25.810
   93    H2*    C  11           H2*        C  11  28.214 -16.859  24.843
   94   2HO*    C  11          2HO*        C  11  28.790 -17.448  27.431
   95    H1*    C  11           H1*        C  11  27.922 -19.607  25.747
   96   1H4     C  11          1H4         C  11  27.739 -21.104  19.667
   97   2H4     C  11          2H4         C  11  29.389 -20.964  20.048
   98    H5     C  11           H5         C  11  25.895 -20.250  21.123
   99    H6     C  11           H6         C  11  25.596 -19.048  23.090
  100   1H5*    G  12          1H5*        G  12  28.437 -12.205  26.654
  101   2H5*    G  12          2H5*        G  12  27.772 -13.511  25.584
  102    H4*    G  12           H4*        G  12  30.744 -13.294  26.485
  103    H3*    G  12           H3*        G  12  29.875 -11.805  23.872
  104    H2*    G  12           H2*        G  12  31.619 -12.658  22.833
  105   2HO*    G  12          2HO*        G  12  33.468 -13.537  23.898
  106    H1*    G  12           H1*        G  12  32.098 -14.861  24.078
  107    H8     G  12           H8         G  12  28.665 -15.428  23.056
  108    H1     G  12           H1         G  12  33.100 -17.390  19.041
  109   1H2     G  12          1H2         G  12  35.378 -15.464  20.881
  110   2H2     G  12          2H2         G  12  35.129 -16.572  19.538
  111   1H5*    A  13          1H5*        A  13  32.911  -8.848  22.533
  112   2H5*    A  13          2H5*        A  13  31.523  -9.567  21.712
  113    H4*    A  13           H4*        A  13  32.790 -10.295  19.910
  114    H3*    A  13           H3*        A  13  34.546 -11.368  21.935
  115    H2*    A  13           H2*        A  13  36.060  -9.662  21.977
  116   2HO*    A  13          2HO*        A  13  36.663 -11.119  19.602
  117    H1*    A  13           H1*        A  13  35.540  -8.803  19.133
  118    H8     A  13           H8         A  13  35.731  -7.589  22.835
  119   1H6     A  13          1H6         A  13  38.135  -3.490  22.043
  120   2H6     A  13          2H6         A  13  38.768  -2.730  20.600
  121    H2     A  13           H2         A  13  37.727  -5.418  17.152
  122   1H5*    C  14          1H5*        C  14  35.457 -13.966  19.076
  123   2H5*    C  14          2H5*        C  14  36.909 -14.124  18.164
  124    H4*    C  14           H4*        C  14  36.048 -15.683  16.870
  125    H3*    C  14           H3*        C  14  34.304 -13.386  16.101
  126    H2*    C  14           H2*        C  14  32.533 -14.839  15.304
  127   2HO*    C  14          2HO*        C  14  32.975 -16.925  14.764
  128    H1*    C  14           H1*        C  14  32.715 -16.807  16.964
  129   1H4     C  14          1H4         C  14  29.110 -13.335  20.933
  130   2H4     C  14          2H4         C  14  28.044 -14.198  19.843
  131    H5     C  14           H5         C  14  31.508 -13.267  20.526
  132    H6     C  14           H6         C  14  33.259 -13.968  19.049
  133   1H5*    C  15          1H5*        C  15  34.216 -15.288  11.579
  134   2H5*    C  15          2H5*        C  15  34.342 -13.685  10.860
  135    H4*    C  15           H4*        C  15  32.406 -15.218  10.127
  136    H3*    C  15           H3*        C  15  31.761 -12.360  10.936
  137    H2*    C  15           H2*        C  15  29.645 -12.837  10.159
  138   2HO*    C  15          2HO*        C  15  29.318 -14.605   9.028
  139    H1*    C  15           H1*        C  15  29.305 -15.264  11.304
  140   1H4     C  15          1H4         C  15  28.768 -12.472  17.085
  141   2H4     C  15          2H4         C  15  27.129 -12.826  16.614
  142    H5     C  15           H5         C  15  30.565 -12.658  15.803
  143    H6     C  15           H6         C  15  31.518 -13.223  13.635
  144   1H5*    A  16          1H5*        A  16  29.171 -12.942   6.949
  145   2H5*    A  16          2H5*        A  16  29.609 -11.364   6.401
  146    H4*    A  16           H4*        A  16  27.193 -11.819   6.247
  147    H3*    A  16           H3*        A  16  27.851  -9.440   8.014
  148    H2*    A  16           H2*        A  16  25.407  -9.451   8.680
  149   2HO*    A  16          2HO*        A  16  23.929 -10.620   7.384
  150    H1*    A  16           H1*        A  16  24.895 -11.854   8.688
  151    H8     A  16           H8         A  16  28.268 -11.135  10.346
  152   1H6     A  16          1H6         A  16  26.725 -11.161  14.734
  153   2H6     A  16          2H6         A  16  25.157 -10.968  15.519
  154    H2     A  16           H2         A  16  22.188 -10.500  12.230
  155   1H5*    C  17          1H5*        C  17  24.972  -7.694   5.747
  156   2H5*    C  17          2H5*        C  17  25.047  -5.951   5.958
  157    H4*    C  17           H4*        C  17  23.191  -7.332   7.203
  158    H3*    C  17           H3*        C  17  24.923  -5.280   8.592
  159    H2*    C  17           H2*        C  17  23.659  -5.556  10.526
  160   2HO*    C  17          2HO*        C  17  21.755  -6.607   8.722
  161    H1*    C  17           H1*        C  17  23.146  -8.145  10.226
  162   1H4     C  17          1H4         C  17  27.857  -8.503  14.554
  163   2H4     C  17          2H4         C  17  26.408  -8.023  15.361
  164    H5     C  17           H5         C  17  28.071  -8.408  11.878
  165    H6     C  17           H6         C  17  26.700  -8.183   9.932
  166   1H5*    U  18          1H5*        U  18  21.111  -0.805   8.785
  167   2H5*    U  18          2H5*        U  18  22.863  -0.872   8.952
  168    H4*    U  18           H4*        U  18  20.767  -2.155  10.748
  169    H3*    U  18           H3*        U  18  22.094   0.422  11.013
  170    H2*    U  18           H2*        U  18  23.655  -0.377  12.782
  171   2HO*    U  18          2HO*        U  18  22.153  -1.448  14.469
  172    H1*    U  18           H1*        U  18  21.950  -2.608  13.124
  173    H3     U  18           H3         U  18  24.841  -3.956  16.121
  174    H5     U  18           H5         U  18  26.582  -4.501  12.324
  175    H6     U  18           H6         U  18  24.978  -3.018  11.451
  176   1H5*    U  19          1H5*        U  19  17.742  -2.585  11.748
  177   2H5*    U  19          2H5*        U  19  16.628  -1.421  11.068
  178    H4*    U  19           H4*        U  19  15.478  -2.635  12.982
  179    H3*    U  19           H3*        U  19  15.313   0.178  13.286
  180    H2*    U  19           H2*        U  19  17.616   0.211  14.493
  181   2HO*    U  19          2HO*        U  19  15.583   1.305  15.452
  182    H1*    U  19           H1*        U  19  16.203  -1.850  16.133
  183    H3     U  19           H3         U  19  19.313  -2.203  19.334
  184    H5     U  19           H5         U  19  21.538  -0.836  16.018
  185    H6     U  19           H6         U  19  19.552  -0.800  14.759
  186   1H5*    A  20          1H5*        A  20  13.793  -1.402  10.894
  187   2H5*    A  20          2H5*        A  20  12.222  -2.180  11.169
  188    H4*    A  20           H4*        A  20  13.638  -3.236   9.302
  189    H3*    A  20           H3*        A  20  12.748  -4.857  11.731
  190    H2*    A  20           H2*        A  20  13.769  -6.719  11.087
  191   2HO*    A  20          2HO*        A  20  14.068  -7.263   9.025
  192    H1*    A  20           H1*        A  20  15.952  -5.544   9.784
  193    H8     A  20           H8         A  20  14.317  -6.261  13.169
  194   1H6     A  20          1H6         A  20  18.211  -6.278  15.976
  195   2H6     A  20          2H6         A  20  19.898  -5.915  15.699
  196    H2     A  20           H2         A  20  20.296  -4.916  11.331
  197   1H5*    A  21          1H5*        A  21  10.283  -8.675  10.828
  198   2H5*    A  21          2H5*        A  21  11.719  -8.029  11.651
  199    H4*    A  21           H4*        A  21  11.798 -10.127   9.396
  200    H3*    A  21           H3*        A  21  11.448 -10.428  12.316
  201    H2*    A  21           H2*        A  21  13.534 -11.149  12.845
  202   2HO*    A  21          2HO*        A  21  13.312 -12.691  10.503
  203    H1*    A  21           H1*        A  21  14.794 -11.178  10.341
  204    H8     A  21           H8         A  21  15.093  -9.933  13.808
  205   1H6     A  21          1H6         A  21  19.307  -7.750  13.526
  206   2H6     A  21          2H6         A  21  20.296  -7.196  12.194
  207    H2     A  21           H2         A  21  18.189  -8.334   8.444
  208   1H5*    A  22          1H5*        A  22  12.708 -13.754   7.432
  209   2H5*    A  22          2H5*        A  22  13.971 -14.190   8.574
  210    H4*    A  22           H4*        A  22  14.057 -11.819   6.616
  211    H3*    A  22           H3*        A  22  15.375 -14.532   6.817
  212    H2*    A  22           H2*        A  22  17.434 -13.759   6.948
  213   2HO*    A  22          2HO*        A  22  18.172 -12.137   5.436
  214    H1*    A  22           H1*        A  22  16.844 -10.902   6.944
  215    H8     A  22           H8         A  22  16.906 -12.994  10.142
  216   1H6     A  22          1H6         A  22  22.871 -11.759  10.513
  217   2H6     A  22          2H6         A  22  21.525 -12.597  11.251
  218    H2     A  22           H2         A  22  21.476  -9.955   6.867
  219   1H5*    A  23          1H5*        A  23  17.803 -13.170   3.622
  220   2H5*    A  23          2H5*        A  23  17.418 -14.343   2.347
  221    H4*    A  23           H4*        A  23  19.693 -14.515   2.330
  222    H3*    A  23           H3*        A  23  19.017 -16.348   4.708
  223    H2*    A  23           H2*        A  23  21.551 -16.963   4.604
  224   2HO*    A  23          2HO*        A  23  21.660 -16.917   2.384
  225    H1*    A  23           H1*        A  23  22.212 -14.268   4.247
  226    H8     A  23           H8         A  23  19.431 -14.678   6.928
  227   1H6     A  23          1H6         A  23  22.367 -13.971  10.796
  228   2H6     A  23          2H6         A  23  24.099 -13.798  10.905
  229    H2     A  23           H2         A  23  25.777 -14.150   6.775
  230   1H5*    A  24          1H5*        A  24  21.707 -20.503   2.791
  231   2H5*    A  24          2H5*        A  24  20.411 -21.159   3.802
  232    H4*    A  24           H4*        A  24  22.922 -21.332   4.671
  233    H3*    A  24           H3*        A  24  20.549 -21.041   6.365
  234    H2*    A  24           H2*        A  24  21.745 -20.000   7.894
  235   2HO*    A  24          2HO*        A  24  22.430 -22.193   8.339
  236    H1*    A  24           H1*        A  24  24.347 -20.159   6.410
  237    H8     A  24           H8         A  24  21.892 -17.875   8.442
  238   1H6     A  24          1H6         A  24  27.002 -14.916  10.089
  239   2H6     A  24          2H6         A  24  25.312 -15.180  10.456
  240    H2     A  24           H2         A  24  27.941 -17.382   6.492
  241   1H5*    C  25          1H5*        C  25  19.605 -24.278   9.063
  242   2H5*    C  25          2H5*        C  25  19.411 -22.709   9.819
  243    H4*    C  25           H4*        C  25  21.887 -23.111  10.647
  244    H3*    C  25           H3*        C  25  21.033 -25.927  10.245
  245    H2*    C  25           H2*        C  25  21.936 -26.423  12.276
  246   2HO*    C  25          2HO*        C  25  23.864 -25.019  11.493
  247    H1*    C  25           H1*        C  25  21.630 -23.925  13.538
  248   1H4     C  25          1H4         C  25  18.138 -27.965  16.970
  249   2H4     C  25          2H4         C  25  16.986 -28.131  15.663
  250    H5     C  25           H5         C  25  17.279 -27.076  13.497
  251    H6     C  25           H6         C  25  18.748 -25.697  12.159
  252   1H5*    A  26          1H5*        A  26  26.764 -25.166  10.587
  253   2H5*    A  26          2H5*        A  26  25.508 -23.940  10.521
  254    H4*    A  26           H4*        A  26  27.282 -24.256   8.121
  255    H3*    A  26           H3*        A  26  28.214 -23.334  10.816
  256    H2*    A  26           H2*        A  26  29.062 -21.344  10.071
  257   2HO*    A  26          2HO*        A  26  30.428 -21.873   8.499
  258    H1*    A  26           H1*        A  26  27.397 -20.791   7.937
  259    H8     A  26           H8         A  26  25.161 -21.440  10.841
  260   1H6     A  26          1H6         A  26  27.055 -16.135  13.382
  261   2H6     A  26          2H6         A  26  25.940 -17.473  13.542
  262    H2     A  26           H2         A  26  29.612 -16.959   9.788
  263   1H5*    C  27          1H5*        C  27  32.234 -23.237   8.894
  264   2H5*    C  27          2H5*        C  27  33.251 -24.392   9.778
  265    H4*    C  27           H4*        C  27  34.473 -22.274   9.747
  266    H3*    C  27           H3*        C  27  33.039 -22.178  12.366
  267    H2*    C  27           H2*        C  27  34.489 -20.303  12.791
  268   2HO*    C  27          2HO*        C  27  36.403 -20.880  11.991
  269    H1*    C  27           H1*        C  27  34.148 -19.354  10.170
  270   1H4     C  27          1H4         C  27  29.456 -16.704  13.994
  271   2H4     C  27          2H4         C  27  30.753 -15.537  13.869
  272    H5     C  27           H5         C  27  29.661 -18.878  13.290
  273    H6     C  27           H6         C  27  30.826 -20.426  11.649
  274   1H5*    C  28          1H5*        C  28  38.155 -21.399  12.833
  275   2H5*    C  28          2H5*        C  28  38.157 -22.572  14.160
  276    H4*    C  28           H4*        C  28  39.363 -20.243  14.442
  277    H3*    C  28           H3*        C  28  37.717 -21.778  16.389
  278    H2*    C  28           H2*        C  28  37.568 -20.104  17.953
  279   2HO*    C  28          2HO*        C  28  39.428 -19.242  18.417
  280    H1*    C  28           H1*        C  28  37.484 -17.827  16.315
  281   1H4     C  28          1H4         C  28  31.504 -20.471  17.271
  282   2H4     C  28          2H4         C  28  31.649 -19.183  18.445
  283    H5     C  28           H5         C  28  33.216 -21.245  16.005
  284    H6     C  28           H6         C  28  35.405 -20.606  14.868
  285   1H5*    G  29          1H5*        G  29  40.308 -20.790  18.427
  286   2H5*    G  29          2H5*        G  29  41.223 -21.470  19.785
  287    H4*    G  29           H4*        G  29  39.363 -19.882  20.410
  288    H3*    G  29           H3*        G  29  38.798 -22.718  21.355
  289    H2*    G  29           H2*        G  29  36.768 -22.032  22.132
  290   2HO*    G  29          2HO*        G  29  36.411 -19.871  22.842
  291    H1*    G  29           H1*        G  29  36.708 -19.583  20.579
  292    H8     G  29           H8         G  29  35.872 -22.141  17.969
  293    H1     G  29           H1         G  29  30.724 -20.370  21.405
  294   1H2     G  29          1H2         G  29  33.265 -19.305  23.823
  295   2H2     G  29          2H2         G  29  31.560 -19.421  23.455
  296   1H5*    G  30          1H5*        G  30  38.995 -18.617  24.705
  297   2H5*    G  30          2H5*        G  30  39.606 -19.684  25.987
  298    H4*    G  30           H4*        G  30  37.742 -17.960  26.544
  299    H3*    G  30           H3*        G  30  37.617 -20.893  27.219
  300    H2*    G  30           H2*        G  30  35.438 -20.647  28.156
  301   2HO*    G  30          2HO*        G  30  34.547 -18.487  28.360
  302    H1*    G  30           H1*        G  30  34.486 -18.848  26.332
  303    H8     G  30           H8         G  30  36.347 -21.480  24.222
  304    H1     G  30           H1         G  30  30.029 -22.257  24.601
  305   1H2     G  30          1H2         G  30  30.199 -20.024  27.302
  306   2H2     G  30          2H2         G  30  29.197 -21.020  26.267
  Start of MODEL    7
    1   1H5*    A   3          1H5*        A   3  23.785  -3.329  20.931
    2   2H5*    A   3          2H5*        A   3  23.291  -1.677  21.409
    3    H4*    A   3           H4*        A   3  22.037  -3.158  22.798
    4    H3*    A   3           H3*        A   3  23.804  -2.415  24.822
    5    H2*    A   3           H2*        A   3  25.689  -3.550  23.931
    6   2HO*    A   3          2HO*        A   3  24.469  -4.741  26.019
    7    H1*    A   3           H1*        A   3  24.188  -5.897  23.507
    8    H8     A   3           H8         A   3  27.135  -6.240  23.174
    9   1H6     A   3          1H6         A   3  28.467  -6.658  18.429
   10   2H6     A   3          2H6         A   3  27.743  -5.983  16.955
   11    H2     A   3           H2         A   3  24.129  -3.685  18.215
   12   1H5*    G   4          1H5*        G   4  20.582  -4.491  23.764
   13   2H5*    G   4          2H5*        G   4  19.265  -5.514  24.175
   14    H4*    G   4           H4*        G   4  19.327  -4.923  21.755
   15    H3*    G   4           H3*        G   4  20.515  -7.880  21.613
   16    H2*    G   4           H2*        G   4  20.394  -7.608  19.231
   17   2HO*    G   4          2HO*        G   4  19.384  -5.823  18.309
   18    H1*    G   4           H1*        G   4  21.362  -5.100  19.278
   19    H8     G   4           H8         G   4  23.580  -6.721  21.567
   20    H1     G   4           H1         G   4  24.735  -7.506  15.335
   21   1H2     G   4          1H2         G   4  21.249  -6.531  15.265
   22   2H2     G   4          2H2         G   4  22.653  -6.980  14.338
   23   1H5*    U   5          1H5*        U   5  16.227  -8.982  19.830
   24   2H5*    U   5          2H5*        U   5  16.089 -10.696  20.096
   25    H4*    U   5           H4*        U   5  15.926  -9.736  17.642
   26    H3*    U   5           H3*        U   5  18.098 -11.938  17.907
   27    H2*    U   5           H2*        U   5  18.309 -11.759  15.584
   28   2HO*    U   5          2HO*        U   5  15.995 -10.091  15.780
   29    H1*    U   5           H1*        U   5  18.568  -9.177  15.549
   30    H3     U   5           H3         U   5  22.696 -10.599  15.089
   31    H5     U   5           H5         U   5  22.209  -9.693  19.154
   32    H6     U   5           H6         U   5  19.753  -9.660  18.770
   33   1H5*    G   6          1H5*        G   6  16.110 -13.183  15.325
   34   2H5*    G   6          2H5*        G   6  15.327 -14.740  15.022
   35    H4*    G   6           H4*        G   6  16.861 -14.395  13.309
   36    H3*    G   6           H3*        G   6  18.139 -16.201  15.348
   37    H2*    G   6           H2*        G   6  19.970 -16.400  13.808
   38   2HO*    G   6          2HO*        G   6  18.017 -15.543  12.010
   39    H1*    G   6           H1*        G   6  19.937 -13.848  13.042
   40    H8     G   6           H8         G   6  19.813 -13.686  16.825
   41    H1     G   6           H1         G   6  25.689 -13.875  14.288
   42   1H2     G   6          1H2         G   6  24.020 -15.110  11.426
   43   2H2     G   6          2H2         G   6  25.540 -14.661  12.174
   44   1H5*    G   7          1H5*        G   7  19.092 -20.008  15.741
   45   2H5*    G   7          2H5*        G   7  18.688 -18.285  15.863
   46    H4*    G   7           H4*        G   7  20.155 -18.566  13.466
   47    H3*    G   7           H3*        G   7  21.170 -20.611  15.352
   48    H2*    G   7           H2*        G   7  22.977 -19.494  16.049
   49   2HO*    G   7          2HO*        G   7  23.346 -19.448  13.277
   50    H1*    G   7           H1*        G   7  22.808 -17.191  14.525
   51    H8     G   7           H8         G   7  21.006 -16.486  17.674
   52    H1     G   7           H1         G   7  27.372 -15.436  17.856
   53   1H2     G   7          1H2         G   7  27.264 -17.576  14.949
   54   2H2     G   7          2H2         G   7  28.247 -16.614  16.025
   55   1H5*   CH   8          1H5*       CH   8  23.749 -24.022  13.536
   56   2H5*   CH   8          2H5*       CH   8  23.740 -23.647  15.292
   57    H4*   CH   8           H4*       CH   8  26.084 -23.246  13.305
   58    H3*   CH   8           H3*       CH   8  25.724 -23.945  16.407
   59    H2*   CH   8           H2*       CH   8  28.077 -23.297  16.545
   60   2HO*   CH   8          2HO*       CH   8  29.226 -22.763  14.443
   61    H1*   CH   8           H1*       CH   8  28.013 -21.497  14.719
   62    HN3   CH   8           HN3       CH   8  29.558 -19.113  18.070
   63   1H4    CH   8          1H4        CH   8  26.927 -17.983  20.057
   64   2H4    CH   8          2H4        CH   8  28.611 -17.739  19.805
   65    H5    CH   8           H5        CH   8  25.489 -19.644  19.062
   66    H6    CH   8           H6        CH   8  25.299 -21.174  17.121
   67   1H5*    G   9          1H5*        G   9  23.113 -26.835  17.355
   68   2H5*    G   9          2H5*        G   9  22.466 -25.766  16.084
   69    H4*    G   9           H4*        G   9  22.507 -23.896  17.683
   70    H3*    G   9           H3*        G   9  24.547 -25.342  18.946
   71    H2*    G   9           H2*        G   9  23.064 -26.819  19.878
   72   2HO*    G   9          2HO*        G   9  23.275 -24.698  21.796
   73    H1*    G   9           H1*        G   9  21.193 -24.524  20.418
   74    H8     G   9           H8         G   9  18.801 -26.406  19.387
   75    H1     G   9           H1         G   9  21.023 -29.851  24.273
   76   1H2     G   9          1H2         G   9  23.081 -29.196  24.784
   77   2H2     G   9          2H2         G   9  23.900 -27.914  23.922
   78   1H5*    C  10          1H5*        C  10  21.355 -22.633  22.061
   79   2H5*    C  10          2H5*        C  10  21.322 -20.821  22.202
   80    H4*    C  10           H4*        C  10  22.062 -21.958  24.372
   81    H3*    C  10           H3*        C  10  24.258 -20.215  23.076
   82    H2*    C  10           H2*        C  10  25.620 -20.650  24.787
   83   2HO*    C  10          2HO*        C  10  23.297 -21.790  25.986
   84    H1*    C  10           H1*        C  10  25.327 -23.281  24.630
   85   1H4     C  10          1H4         C  10  28.713 -23.309  19.195
   86   2H4     C  10          2H4         C  10  29.915 -22.986  20.441
   87    H5     C  10           H5         C  10  26.314 -23.168  19.589
   88    H6     C  10           H6         C  10  24.628 -22.991  21.204
   89   1H5*    C  11          1H5*        C  11  23.496 -18.066  26.299
   90   2H5*    C  11          2H5*        C  11  23.395 -16.313  26.463
   91    H4*    C  11           H4*        C  11  25.571 -17.204  27.302
   92    H3*    C  11           H3*        C  11  25.777 -15.503  24.792
   93    H2*    C  11           H2*        C  11  28.146 -15.709  24.975
   94   2HO*    C  11          2HO*        C  11  29.103 -16.549  26.873
   95    H1*    C  11           H1*        C  11  28.045 -18.353  25.925
   96   1H4     C  11          1H4         C  11  28.633 -20.353  20.027
   97   2H4     C  11          2H4         C  11  30.206 -20.119  20.626
   98    H5     C  11           H5         C  11  26.577 -19.495  21.135
   99    H6     C  11           H6         C  11  25.888 -18.221  22.992
  100   1H5*    G  12          1H5*        G  12  27.876 -13.129  27.039
  101   2H5*    G  12          2H5*        G  12  27.832 -11.370  26.728
  102    H4*    G  12           H4*        G  12  30.031 -12.467  26.085
  103    H3*    G  12           H3*        G  12  28.513 -11.657  23.518
  104    H2*    G  12           H2*        G  12  30.383 -12.246  22.473
  105   2HO*    G  12          2HO*        G  12  32.338 -12.894  23.606
  106    H1*    G  12           H1*        G  12  31.129 -14.196  23.957
  107    H8     G  12           H8         G  12  27.774 -15.288  22.847
  108    H1     G  12           H1         G  12  32.669 -17.001  19.211
  109   1H2     G  12          1H2         G  12  34.553 -14.656  21.039
  110   2H2     G  12          2H2         G  12  34.541 -15.883  19.781
  111   1H5*    A  13          1H5*        A  13  33.269 -10.544  22.231
  112   2H5*    A  13          2H5*        A  13  32.786  -8.834  22.255
  113    H4*    A  13           H4*        A  13  32.582 -10.632  19.781
  114    H3*    A  13           H3*        A  13  34.954  -9.346  20.777
  115    H2*    A  13           H2*        A  13  34.698  -7.328  19.829
  116   2HO*    A  13          2HO*        A  13  34.912  -7.465  17.404
  117    H1*    A  13           H1*        A  13  32.778  -8.256  17.734
  118    H8     A  13           H8         A  13  31.689  -6.183  20.719
  119   1H6     A  13          1H6         A  13  32.138  -1.224  17.108
  120   2H6     A  13          2H6         A  13  31.619  -1.825  18.667
  121    H2     A  13           H2         A  13  33.851  -4.730  14.871
  122   1H5*    C  14          1H5*        C  14  34.825 -13.537  18.775
  123   2H5*    C  14          2H5*        C  14  36.316 -13.741  17.913
  124    H4*    C  14           H4*        C  14  35.507 -15.528  16.898
  125    H3*    C  14           H3*        C  14  33.944 -13.399  15.609
  126    H2*    C  14           H2*        C  14  31.965 -14.683  15.316
  127   2HO*    C  14          2HO*        C  14  33.719 -16.578  14.740
  128    H1*    C  14           H1*        C  14  32.265 -16.657  17.083
  129   1H4     C  14          1H4         C  14  28.428 -13.168  20.693
  130   2H4     C  14          2H4         C  14  27.410 -14.132  19.655
  131    H5     C  14           H5         C  14  30.850 -12.987  20.278
  132    H6     C  14           H6         C  14  32.630 -13.674  18.809
  133   1H5*    C  15          1H5*        C  15  34.554 -14.212  10.781
  134   2H5*    C  15          2H5*        C  15  33.823 -12.612  10.733
  135    H4*    C  15           H4*        C  15  32.670 -15.081   9.969
  136    H3*    C  15           H3*        C  15  31.280 -12.451  10.542
  137    H2*    C  15           H2*        C  15  29.353 -13.534   9.823
  138   2HO*    C  15          2HO*        C  15  29.498 -15.220   8.678
  139    H1*    C  15           H1*        C  15  29.720 -15.829  11.345
  140   1H4     C  15          1H4         C  15  28.282 -12.600  16.785
  141   2H4     C  15          2H4         C  15  26.707 -13.045  16.185
  142    H5     C  15           H5         C  15  30.186 -12.795  15.719
  143    H6     C  15           H6         C  15  31.368 -13.382  13.642
  144   1H5*    A  16          1H5*        A  16  29.306 -13.338   6.841
  145   2H5*    A  16          2H5*        A  16  28.920 -11.804   6.240
  146    H4*    A  16           H4*        A  16  26.955 -13.363   6.667
  147    H3*    A  16           H3*        A  16  27.119 -10.543   7.650
  148    H2*    A  16           H2*        A  16  24.984 -10.982   9.048
  149   2HO*    A  16          2HO*        A  16  24.626 -12.922   6.947
  150    H1*    A  16           H1*        A  16  25.245 -13.479   9.353
  151    H8     A  16           H8         A  16  28.346 -11.895  10.884
  152   1H6     A  16          1H6         A  16  26.697 -10.887  15.156
  153   2H6     A  16          2H6         A  16  25.091 -10.618  15.846
  154    H2     A  16           H2         A  16  22.196 -11.306  12.498
  155   1H5*    C  17          1H5*        C  17  23.442  -7.680   5.838
  156   2H5*    C  17          2H5*        C  17  25.113  -7.503   6.423
  157    H4*    C  17           H4*        C  17  22.589  -8.262   7.977
  158    H3*    C  17           H3*        C  17  24.423  -5.859   8.375
  159    H2*    C  17           H2*        C  17  23.582  -5.767  10.531
  160   2HO*    C  17          2HO*        C  17  21.372  -6.943   9.317
  161    H1*    C  17           H1*        C  17  23.051  -8.474  10.702
  162   1H4     C  17          1H4         C  17  28.201  -8.529  14.484
  163   2H4     C  17          2H4         C  17  26.837  -8.075  15.439
  164    H5     C  17           H5         C  17  28.126  -8.510  11.831
  165    H6     C  17           H6         C  17  26.575  -8.359  10.038
  166   1H5*    U  18          1H5*        U  18  21.569  -1.507   9.176
  167   2H5*    U  18          2H5*        U  18  23.256  -2.021   9.028
  168    H4*    U  18           H4*        U  18  21.372  -3.126  11.127
  169    H3*    U  18           H3*        U  18  22.577  -0.480  11.236
  170    H2*    U  18           H2*        U  18  24.200  -1.220  13.006
  171   2HO*    U  18          2HO*        U  18  22.807  -2.330  14.764
  172    H1*    U  18           H1*        U  18  22.622  -3.523  13.339
  173    H3     U  18           H3         U  18  25.814  -4.580  16.283
  174    H5     U  18           H5         U  18  27.356  -5.147  12.422
  175    H6     U  18           H6         U  18  25.625  -3.816  11.583
  176   1H5*    U  19          1H5*        U  19  18.858  -1.743  11.557
  177   2H5*    U  19          2H5*        U  19  17.392  -0.779  11.230
  178    H4*    U  19           H4*        U  19  16.875  -2.300  13.121
  179    H3*    U  19           H3*        U  19  16.360   0.470  13.485
  180    H2*    U  19           H2*        U  19  18.760   0.704  14.597
  181   2HO*    U  19          2HO*        U  19  16.664   0.463  16.576
  182    H1*    U  19           H1*        U  19  17.596  -1.523  16.187
  183    H3     U  19           H3         U  19  20.805  -1.445  19.377
  184    H5     U  19           H5         U  19  22.896  -0.404  15.842
  185    H6     U  19           H6         U  19  20.850  -0.470  14.707
  186   1H5*    A  20          1H5*        A  20  14.742  -0.840  11.958
  187   2H5*    A  20          2H5*        A  20  12.999  -0.961  11.683
  188    H4*    A  20           H4*        A  20  14.007  -2.573  10.215
  189    H3*    A  20           H3*        A  20  12.972  -3.952  12.740
  190    H2*    A  20           H2*        A  20  13.637  -6.011  11.996
  191   2HO*    A  20          2HO*        A  20  13.675  -6.533   9.934
  192    H1*    A  20           H1*        A  20  15.917  -5.136  10.601
  193    H8     A  20           H8         A  20  14.354  -5.721  14.056
  194   1H6     A  20          1H6         A  20  18.345  -6.202  16.710
  195   2H6     A  20          2H6         A  20  20.047  -6.003  16.367
  196    H2     A  20           H2         A  20  20.354  -4.868  12.009
  197   1H5*    A  21          1H5*        A  21  10.443  -7.663  11.691
  198   2H5*    A  21          2H5*        A  21  11.759  -6.959  12.648
  199    H4*    A  21           H4*        A  21  12.130  -9.146  10.494
  200    H3*    A  21           H3*        A  21  11.545  -9.317  13.423
  201    H2*    A  21           H2*        A  21  13.681  -9.891  14.093
  202   2HO*    A  21          2HO*        A  21  13.674 -11.715  11.945
  203    H1*    A  21           H1*        A  21  14.905 -10.229  11.561
  204    H8     A  21           H8         A  21  14.903  -8.210  14.819
  205   1H6     A  21          1H6         A  21  20.951  -7.680  13.640
  206   2H6     A  21          2H6         A  21  19.744  -7.629  14.906
  207    H2     A  21           H2         A  21  18.822  -8.837   9.849
  208   1H5*    A  22          1H5*        A  22  12.868 -13.636   9.402
  209   2H5*    A  22          2H5*        A  22  14.363 -13.675  10.325
  210    H4*    A  22           H4*        A  22  13.810 -11.846   7.912
  211    H3*    A  22           H3*        A  22  15.358 -14.396   8.431
  212    H2*    A  22           H2*        A  22  17.349 -13.578   7.884
  213   2HO*    A  22          2HO*        A  22  17.335 -13.529   5.769
  214    H1*    A  22           H1*        A  22  16.560 -10.817   7.380
  215    H8     A  22           H8         A  22  17.360 -11.868  10.915
  216   1H6     A  22          1H6         A  22  22.139 -10.750  10.813
  217   2H6     A  22          2H6         A  22  23.173 -10.212   9.519
  218    H2     A  22           H2         A  22  20.877 -10.055   5.911
  219   1H5*    A  23          1H5*        A  23  16.542 -14.564   4.396
  220   2H5*    A  23          2H5*        A  23  15.956 -16.114   3.767
  221    H4*    A  23           H4*        A  23  18.304 -16.098   3.352
  222    H3*    A  23           H3*        A  23  18.011 -17.513   6.086
  223    H2*    A  23           H2*        A  23  20.554 -17.998   5.814
  224   2HO*    A  23          2HO*        A  23  20.728 -18.306   3.736
  225    H1*    A  23           H1*        A  23  21.043 -15.376   5.070
  226    H8     A  23           H8         A  23  18.292 -15.566   7.822
  227   1H6     A  23          1H6         A  23  21.198 -14.249  11.492
  228   2H6     A  23          2H6         A  23  22.920 -13.982  11.578
  229    H2     A  23           H2         A  23  24.600 -14.675   7.493
  230   1H5*    A  24          1H5*        A  24  21.134 -21.443   3.885
  231   2H5*    A  24          2H5*        A  24  20.095 -22.267   5.065
  232    H4*    A  24           H4*        A  24  22.642 -22.341   5.639
  233    H3*    A  24           H3*        A  24  20.554 -21.865   7.582
  234    H2*    A  24           H2*        A  24  21.918 -20.628   8.835
  235   2HO*    A  24          2HO*        A  24  22.974 -22.111   9.889
  236    H1*    A  24           H1*        A  24  24.320 -20.964   7.055
  237    H8     A  24           H8         A  24  22.083 -18.447   9.053
  238   1H6     A  24          1H6         A  24  27.352 -15.459   9.933
  239   2H6     A  24          2H6         A  24  25.703 -15.657  10.477
  240    H2     A  24           H2         A  24  27.944 -18.222   6.522
  241   1H5*    C  25          1H5*        C  25  20.069 -25.784   9.441
  242   2H5*    C  25          2H5*        C  25  20.630 -24.190   9.011
  243    H4*    C  25           H4*        C  25  21.934 -25.478  10.748
  244    H3*    C  25           H3*        C  25  23.001 -23.668   8.935
  245    H2*    C  25           H2*        C  25  23.715 -25.026   7.357
  246   2HO*    C  25          2HO*        C  25  26.021 -25.531   7.750
  247    H1*    C  25           H1*        C  25  24.788 -27.094   9.261
  248   1H4     C  25          1H4         C  25  24.951 -30.541   3.987
  249   2H4     C  25          2H4         C  25  23.257 -30.229   3.680
  250    H5     C  25           H5         C  25  21.882 -28.966   5.231
  251    H6     C  25           H6         C  25  22.002 -27.109   6.876
  252   1H5*    A  26          1H5*        A  26  28.229 -25.790  11.242
  253   2H5*    A  26          2H5*        A  26  27.524 -24.247  11.634
  254    H4*    A  26           H4*        A  26  28.849 -25.075   9.045
  255    H3*    A  26           H3*        A  26  29.608 -23.408  11.379
  256    H2*    A  26           H2*        A  26  30.152 -21.505  10.233
  257   2HO*    A  26          2HO*        A  26  31.638 -22.304   8.815
  258    H1*    A  26           H1*        A  26  28.450 -21.583   8.090
  259    H8     A  26           H8         A  26  26.164 -22.269  10.869
  260   1H6     A  26          1H6         A  26  27.203 -16.560  13.063
  261   2H6     A  26          2H6         A  26  26.259 -18.009  13.306
  262    H2     A  26           H2         A  26  30.088 -17.375   9.702
  263   1H5*    C  27          1H5*        C  27  33.635 -23.422   9.631
  264   2H5*    C  27          2H5*        C  27  34.707 -24.365  10.687
  265    H4*    C  27           H4*        C  27  35.814 -22.244  10.391
  266    H3*    C  27           H3*        C  27  34.219 -21.753  12.847
  267    H2*    C  27           H2*        C  27  35.531 -19.772  13.020
  268   2HO*    C  27          2HO*        C  27  37.493 -19.948  12.313
  269    H1*    C  27           H1*        C  27  35.229 -19.238  10.304
  270   1H4     C  27          1H4         C  27  31.267 -15.494  13.484
  271   2H4     C  27          2H4         C  27  30.144 -16.805  13.764
  272    H5     C  27           H5         C  27  30.617 -18.978  13.291
  273    H6     C  27           H6         C  27  31.972 -20.535  11.783
  274   1H5*    C  28          1H5*        C  28  38.529 -20.628  13.808
  275   2H5*    C  28          2H5*        C  28  38.839 -21.735  15.158
  276    H4*    C  28           H4*        C  28  39.658 -19.321  15.446
  277    H3*    C  28           H3*        C  28  38.002 -20.891  17.345
  278    H2*    C  28           H2*        C  28  37.444 -19.146  18.732
  279   2HO*    C  28          2HO*        C  28  39.439 -18.340  19.197
  280    H1*    C  28           H1*        C  28  37.283 -17.024  16.930
  281   1H4     C  28          1H4         C  28  31.593 -20.336  17.534
  282   2H4     C  28          2H4         C  28  31.491 -18.979  18.636
  283    H5     C  28           H5         C  28  33.505 -20.989  16.465
  284    H6     C  28           H6         C  28  35.688 -20.118  15.445
  285   1H5*    G  29          1H5*        G  29  40.865 -19.701  19.839
  286   2H5*    G  29          2H5*        G  29  41.687 -20.740  21.015
  287    H4*    G  29           H4*        G  29  40.231 -18.973  22.034
  288    H3*    G  29           H3*        G  29  39.019 -21.733  22.456
  289    H2*    G  29           H2*        G  29  37.387 -20.675  23.784
  290   2HO*    G  29          2HO*        G  29  39.382 -18.819  24.117
  291    H1*    G  29           H1*        G  29  37.174 -18.399  22.130
  292    H8     G  29           H8         G  29  36.941 -21.130  19.542
  293    H1     G  29           H1         G  29  31.309 -19.374  22.106
  294   1H2     G  29          1H2         G  29  33.441 -18.032  24.769
  295   2H2     G  29          2H2         G  29  31.811 -18.246  24.169
  296   1H5*    G  30          1H5*        G  30  39.379 -20.289  25.898
  297   2H5*    G  30          2H5*        G  30  39.446 -21.203  27.417
  298    H4*    G  30           H4*        G  30  37.268 -20.028  26.881
  299    H3*    G  30           H3*        G  30  37.280 -23.032  27.222
  300    H2*    G  30           H2*        G  30  35.037 -23.133  26.640
  301   2HO*    G  30          2HO*        G  30  34.947 -21.042  28.342
  302    H1*    G  30           H1*        G  30  35.012 -20.424  25.555
  303    H8     G  30           H8         G  30  36.446 -22.269  22.590
  304    H1     G  30           H1         G  30  30.066 -22.411  22.846
  305   1H2     G  30          1H2         G  30  30.400 -21.604  26.235
  306   2H2     G  30          2H2         G  30  29.331 -21.939  24.891
  Start of MODEL    8
    1   1H5*    A   3          1H5*        A   3  25.705  -5.022  26.729
    2   2H5*    A   3          2H5*        A   3  24.145  -4.774  27.475
    3    H4*    A   3           H4*        A   3  23.855  -3.407  25.774
    4    H3*    A   3           H3*        A   3  23.162  -6.009  24.245
    5    H2*    A   3           H2*        A   3  22.615  -4.681  22.386
    6   2HO*    A   3          2HO*        A   3  22.290  -2.509  22.467
    7    H1*    A   3           H1*        A   3  25.038  -3.118  22.670
    8    H8     A   3           H8         A   3  26.360  -6.225  23.088
    9   1H6     A   3          1H6         A   3  27.550  -6.861  18.408
   10   2H6     A   3          2H6         A   3  26.909  -6.163  16.909
   11    H2     A   3           H2         A   3  23.614  -3.365  18.128
   12   1H5*    G   4          1H5*        G   4  20.260  -4.705  23.439
   13   2H5*    G   4          2H5*        G   4  18.633  -5.361  23.674
   14    H4*    G   4           H4*        G   4  18.915  -4.934  21.375
   15    H3*    G   4           H3*        G   4  19.964  -7.928  21.272
   16    H2*    G   4           H2*        G   4  19.930  -7.600  18.857
   17   2HO*    G   4          2HO*        G   4  19.128  -5.665  18.006
   18    H1*    G   4           H1*        G   4  21.078  -5.165  19.051
   19    H8     G   4           H8         G   4  23.097  -7.016  21.446
   20    H1     G   4           H1         G   4  24.470  -7.713  15.187
   21   1H2     G   4          1H2         G   4  21.075  -6.478  15.036
   22   2H2     G   4          2H2         G   4  22.472  -7.011  14.144
   23   1H5*    U   5          1H5*        U   5  15.759  -9.089  19.485
   24   2H5*    U   5          2H5*        U   5  15.692 -10.814  19.611
   25    H4*    U   5           H4*        U   5  15.754  -9.568  17.232
   26    H3*    U   5           H3*        U   5  17.825 -11.868  17.474
   27    H2*    U   5           H2*        U   5  18.141 -11.527  15.184
   28   2HO*    U   5          2HO*        U   5  16.920 -10.157  13.963
   29    H1*    U   5           H1*        U   5  18.538  -8.940  15.403
   30    H3     U   5           H3         U   5  22.601 -10.477  14.938
   31    H5     U   5           H5         U   5  21.967  -9.891  19.090
   32    H6     U   5           H6         U   5  19.562  -9.757  18.622
   33   1H5*    G   6          1H5*        G   6  15.804 -12.953  14.770
   34   2H5*    G   6          2H5*        G   6  15.175 -14.575  14.400
   35    H4*    G   6           H4*        G   6  16.824 -13.890  12.766
   36    H3*    G   6           H3*        G   6  17.683 -16.025  14.689
   37    H2*    G   6           H2*        G   6  19.815 -16.108  13.743
   38   2HO*    G   6          2HO*        G   6  20.201 -15.215  11.629
   39    H1*    G   6           H1*        G   6  19.886 -13.537  12.779
   40    H8     G   6           H8         G   6  19.640 -13.207  16.536
   41    H1     G   6           H1         G   6  25.591 -13.465  14.182
   42   1H2     G   6          1H2         G   6  24.007 -14.894  11.340
   43   2H2     G   6          2H2         G   6  25.495 -14.370  12.086
   44   1H5*    G   7          1H5*        G   7  19.722 -19.730  13.236
   45   2H5*    G   7          2H5*        G   7  19.219 -18.547  14.475
   46    H4*    G   7           H4*        G   7  21.415 -17.784  12.596
   47    H3*    G   7           H3*        G   7  21.624 -20.088  14.504
   48    H2*    G   7           H2*        G   7  23.292 -19.095  15.702
   49   2HO*    G   7          2HO*        G   7  24.294 -18.913  13.162
   50    H1*    G   7           H1*        G   7  23.276 -16.726  14.217
   51    H8     G   7           H8         G   7  21.271 -16.011  17.241
   52    H1     G   7           H1         G   7  27.651 -15.014  17.626
   53   1H2     G   7          1H2         G   7  27.524 -17.240  14.767
   54   2H2     G   7          2H2         G   7  28.508 -16.278  15.847
   55   1H5*   CH   8          1H5*       CH   8  24.178 -23.957  13.304
   56   2H5*   CH   8          2H5*       CH   8  23.334 -22.716  14.246
   57    H4*   CH   8           H4*       CH   8  26.299 -22.511  13.162
   58    H3*   CH   8           H3*       CH   8  25.761 -23.277  16.244
   59    H2*   CH   8           H2*       CH   8  28.036 -22.449  16.361
   60   2HO*   CH   8          2HO*       CH   8  28.037 -22.901  13.496
   61    H1*   CH   8           H1*       CH   8  27.799 -20.767  14.474
   62    HN3   CH   8           HN3       CH   8  29.601 -18.537  17.811
   63   1H4    CH   8          1H4        CH   8  27.121 -17.159  19.841
   64   2H4    CH   8          2H4        CH   8  28.818 -17.076  19.570
   65    H5    CH   8           H5        CH   8  25.518 -18.648  18.862
   66    H6    CH   8           H6        CH   8  25.150 -20.199  16.928
   67   1H5*    G   9          1H5*        G   9  22.822 -25.333  15.627
   68   2H5*    G   9          2H5*        G   9  23.259 -23.769  16.361
   69    H4*    G   9           H4*        G   9  21.536 -25.100  17.624
   70    H3*    G   9           H3*        G   9  24.004 -24.002  18.715
   71    H2*    G   9           H2*        G   9  24.516 -25.536  20.378
   72   2HO*    G   9          2HO*        G   9  22.503 -25.045  21.419
   73    H1*    G   9           H1*        G   9  23.305 -27.837  19.632
   74    H8     G   9           H8         G   9  25.141 -29.321  18.476
   75    H1     G   9           H1         G   9  28.901 -24.240  17.652
   76   1H2     G   9          1H2         G   9  27.757 -22.380  18.113
   77   2H2     G   9          2H2         G   9  26.081 -22.417  18.609
   78   1H5*    C  10          1H5*        C  10  20.833 -22.684  22.516
   79   2H5*    C  10          2H5*        C  10  21.174 -20.923  22.216
   80    H4*    C  10           H4*        C  10  21.517 -21.804  24.706
   81    H3*    C  10           H3*        C  10  23.716 -20.125  23.344
   82    H2*    C  10           H2*        C  10  25.049 -20.294  25.101
   83   2HO*    C  10          2HO*        C  10  22.749 -21.372  26.408
   84    H1*    C  10           H1*        C  10  24.880 -22.966  25.278
   85   1H4     C  10          1H4         C  10  28.104 -23.602  19.793
   86   2H4     C  10          2H4         C  10  29.347 -23.159  20.947
   87    H5     C  10           H5         C  10  25.734 -23.374  20.244
   88    H6     C  10           H6         C  10  24.126 -23.059  21.856
   89   1H5*    C  11          1H5*        C  11  23.850 -16.393  27.786
   90   2H5*    C  11          2H5*        C  11  23.657 -15.767  26.162
   91    H4*    C  11           H4*        C  11  26.144 -16.872  27.398
   92    H3*    C  11           H3*        C  11  25.685 -15.114  24.956
   93    H2*    C  11           H2*        C  11  28.014 -15.390  24.636
   94   2HO*    C  11          2HO*        C  11  29.320 -16.305  26.313
   95    H1*    C  11           H1*        C  11  27.900 -17.998  25.794
   96   1H4     C  11          1H4         C  11  28.218 -20.393  20.027
   97   2H4     C  11          2H4         C  11  29.820 -20.167  20.556
   98    H5     C  11           H5         C  11  26.229 -19.372  21.137
   99    H6     C  11           H6         C  11  25.645 -17.951  22.923
  100   1H5*    G  12          1H5*        G  12  28.480 -12.645  26.877
  101   2H5*    G  12          2H5*        G  12  28.292 -10.928  26.398
  102    H4*    G  12           H4*        G  12  30.560 -11.978  25.817
  103    H3*    G  12           H3*        G  12  29.014 -11.391  23.220
  104    H2*    G  12           H2*        G  12  31.102 -11.665  22.270
  105   2HO*    G  12          2HO*        G  12  32.019 -11.393  24.901
  106    H1*    G  12           H1*        G  12  31.711 -13.765  23.673
  107    H8     G  12           H8         G  12  28.272 -14.539  22.624
  108    H1     G  12           H1         G  12  32.887 -16.736  18.951
  109   1H2     G  12          1H2         G  12  35.047 -14.612  20.707
  110   2H2     G  12          2H2         G  12  34.876 -15.829  19.448
  111   1H5*    A  13          1H5*        A  13  31.447  -7.709  20.832
  112   2H5*    A  13          2H5*        A  13  30.909  -9.185  20.027
  113    H4*    A  13           H4*        A  13  33.106  -8.883  19.124
  114    H3*    A  13           H3*        A  13  32.901 -10.942  21.223
  115    H2*    A  13           H2*        A  13  34.722 -10.191  22.363
  116   2HO*    A  13          2HO*        A  13  36.782 -10.655  21.024
  117    H1*    A  13           H1*        A  13  35.569  -8.691  19.846
  118    H8     A  13           H8         A  13  34.989  -6.902  23.042
  119   1H6     A  13          1H6         A  13  39.499  -6.196  24.561
  120   2H6     A  13          2H6         A  13  41.054  -6.814  24.049
  121    H2     A  13           H2         A  13  40.253  -9.637  20.639
  122   1H5*    C  14          1H5*        C  14  35.098 -13.274  18.768
  123   2H5*    C  14          2H5*        C  14  36.492 -13.267  17.776
  124    H4*    C  14           H4*        C  14  35.795 -15.081  16.741
  125    H3*    C  14           H3*        C  14  33.938 -12.980  15.719
  126    H2*    C  14           H2*        C  14  32.313 -14.584  14.966
  127   2HO*    C  14          2HO*        C  14  32.880 -16.663  14.588
  128    H1*    C  14           H1*        C  14  32.539 -16.391  16.815
  129   1H4     C  14          1H4         C  14  28.723 -12.719  20.387
  130   2H4     C  14          2H4         C  14  27.698 -13.693  19.354
  131    H5     C  14           H5         C  14  31.122 -12.623  20.022
  132    H6     C  14           H6         C  14  32.908 -13.348  18.587
  133   1H5*    C  15          1H5*        C  15  34.209 -15.360  11.822
  134   2H5*    C  15          2H5*        C  15  34.210 -14.019  10.662
  135    H4*    C  15           H4*        C  15  32.376 -15.873  10.517
  136    H3*    C  15           H3*        C  15  32.032 -12.902  10.265
  137    H2*    C  15           H2*        C  15  29.766 -13.122  10.015
  138   2HO*    C  15          2HO*        C  15  30.180 -15.130   8.678
  139    H1*    C  15           H1*        C  15  29.340 -15.473  11.463
  140   1H4     C  15          1H4         C  15  28.103 -11.961  16.639
  141   2H4     C  15          2H4         C  15  26.558 -12.483  16.028
  142    H5     C  15           H5         C  15  30.139 -12.242  15.572
  143    H6     C  15           H6         C  15  31.307 -13.004  13.491
  144   1H5*    A  16          1H5*        A  16  29.168 -12.514   6.036
  145   2H5*    A  16          2H5*        A  16  29.551 -11.321   7.270
  146    H4*    A  16           H4*        A  16  27.034 -12.703   6.628
  147    H3*    A  16           H3*        A  16  27.512 -10.051   8.046
  148    H2*    A  16           H2*        A  16  25.170 -10.353   8.927
  149   2HO*    A  16          2HO*        A  16  25.021 -12.088   6.624
  150    H1*    A  16           H1*        A  16  25.159 -12.853   9.168
  151    H8     A  16           H8         A  16  28.354 -11.614  10.753
  152   1H6     A  16          1H6         A  16  26.612 -10.880  15.169
  153   2H6     A  16          2H6         A  16  24.982 -10.629  15.815
  154    H2     A  16           H2         A  16  22.202 -10.965  12.374
  155   1H5*    C  17          1H5*        C  17  24.716  -9.388   6.366
  156   2H5*    C  17          2H5*        C  17  24.225  -7.870   5.613
  157    H4*    C  17           H4*        C  17  22.748  -8.340   7.470
  158    H3*    C  17           H3*        C  17  24.722  -6.155   8.065
  159    H2*    C  17           H2*        C  17  23.641  -5.780  10.130
  160   2HO*    C  17          2HO*        C  17  21.587  -6.787  10.541
  161    H1*    C  17           H1*        C  17  22.862  -8.378  10.460
  162   1H4     C  17          1H4         C  17  27.876  -8.980  14.411
  163   2H4     C  17          2H4         C  17  26.518  -8.448  15.336
  164    H5     C  17           H5         C  17  27.877  -8.887  11.720
  165    H6     C  17           H6         C  17  26.401  -8.582   9.907
  166   1H5*    U  18          1H5*        U  18  21.132  -1.900   8.803
  167   2H5*    U  18          2H5*        U  18  22.891  -1.957   8.912
  168    H4*    U  18           H4*        U  18  20.822  -2.957  10.915
  169    H3*    U  18           H3*        U  18  22.228  -0.461  10.874
  170    H2*    U  18           H2*        U  18  23.909  -1.169  12.630
  171   2HO*    U  18          2HO*        U  18  22.411  -1.971  14.506
  172    H1*    U  18           H1*        U  18  22.132  -3.271  13.281
  173    H3     U  18           H3         U  18  25.166  -4.556  16.191
  174    H5     U  18           H5         U  18  26.612  -5.447  12.352
  175    H6     U  18           H6         U  18  25.055  -3.968  11.455
  176   1H5*    U  19          1H5*        U  19  18.067  -2.656  12.459
  177   2H5*    U  19          2H5*        U  19  16.818  -1.711  11.734
  178    H4*    U  19           H4*        U  19  16.024  -2.463  14.013
  179    H3*    U  19           H3*        U  19  15.860   0.370  13.720
  180    H2*    U  19           H2*        U  19  18.311   0.608  14.600
  181   2HO*    U  19          2HO*        U  19  16.430   1.914  15.576
  182    H1*    U  19           H1*        U  19  17.121  -1.094  16.751
  183    H3     U  19           H3         U  19  20.580  -0.775  19.580
  184    H5     U  19           H5         U  19  22.420  -0.206  15.823
  185    H6     U  19           H6         U  19  20.283  -0.426  14.810
  186   1H5*    A  20          1H5*        A  20  13.441  -1.175  12.237
  187   2H5*    A  20          2H5*        A  20  11.915  -1.875  12.802
  188    H4*    A  20           H4*        A  20  13.229  -3.204  10.992
  189    H3*    A  20           H3*        A  20  12.444  -4.408  13.699
  190    H2*    A  20           H2*        A  20  13.308  -6.433  13.136
  191   2HO*    A  20          2HO*        A  20  13.904  -6.750  10.811
  192    H1*    A  20           H1*        A  20  15.385  -5.457  11.497
  193    H8     A  20           H8         A  20  14.088  -5.815  15.099
  194   1H6     A  20          1H6         A  20  19.893  -6.949  16.723
  195   2H6     A  20          2H6         A  20  18.221  -7.011  17.230
  196    H2     A  20           H2         A  20  19.940  -5.573  12.482
  197   1H5*    A  21          1H5*        A  21  10.653  -7.114   9.877
  198   2H5*    A  21          2H5*        A  21   9.917  -8.442  10.792
  199    H4*    A  21           H4*        A  21  12.119  -8.965   9.185
  200    H3*    A  21           H3*        A  21  11.355 -10.288  11.793
  201    H2*    A  21           H2*        A  21  13.491 -10.693  12.124
  202   2HO*    A  21          2HO*        A  21  14.069 -11.793   9.584
  203    H1*    A  21           H1*        A  21  14.247  -9.494   9.371
  204    H8     A  21           H8         A  21  15.163  -9.730  13.181
  205   1H6     A  21          1H6         A  21  19.636  -8.013  12.984
  206   2H6     A  21          2H6         A  21  20.675  -7.536  11.660
  207    H2     A  21           H2         A  21  18.419  -8.196   7.891
  208   1H5*    A  22          1H5*        A  22  12.637 -14.541   7.498
  209   2H5*    A  22          2H5*        A  22  13.977 -14.472   8.652
  210    H4*    A  22           H4*        A  22  13.544 -12.506   6.320
  211    H3*    A  22           H3*        A  22  15.310 -14.883   6.949
  212    H2*    A  22           H2*        A  22  17.240 -13.797   6.965
  213   2HO*    A  22          2HO*        A  22  17.822 -12.477   5.171
  214    H1*    A  22           H1*        A  22  16.238 -11.118   6.367
  215    H8     A  22           H8         A  22  16.102 -11.851   9.934
  216   1H6     A  22          1H6         A  22  22.153 -10.628  10.267
  217   2H6     A  22          2H6         A  22  20.743 -11.041  11.214
  218    H2     A  22           H2         A  22  21.028 -10.613   6.119
  219   1H5*    A  23          1H5*        A  23  17.327 -14.563   3.555
  220   2H5*    A  23          2H5*        A  23  17.034 -16.046   2.631
  221    H4*    A  23           H4*        A  23  19.330 -15.973   2.698
  222    H3*    A  23           H3*        A  23  18.696 -17.420   5.359
  223    H2*    A  23           H2*        A  23  21.264 -17.833   5.401
  224   2HO*    A  23          2HO*        A  23  21.230 -16.370   2.978
  225    H1*    A  23           H1*        A  23  21.727 -15.180   4.718
  226    H8     A  23           H8         A  23  18.725 -15.405   7.204
  227   1H6     A  23          1H6         A  23  22.963 -13.700  11.377
  228   2H6     A  23          2H6         A  23  21.266 -13.978  11.139
  229    H2     A  23           H2         A  23  25.035 -14.445   7.460
  230   1H5*    A  24          1H5*        A  24  21.870 -21.405   3.745
  231   2H5*    A  24          2H5*        A  24  20.773 -22.179   4.903
  232    H4*    A  24           H4*        A  24  23.279 -22.153   5.628
  233    H3*    A  24           H3*        A  24  21.056 -21.636   7.416
  234    H2*    A  24           H2*        A  24  22.286 -20.281   8.683
  235   2HO*    A  24          2HO*        A  24  23.628 -21.378   9.893
  236    H1*    A  24           H1*        A  24  24.820 -20.593   7.099
  237    H8     A  24           H8         A  24  22.322 -18.085   8.782
  238   1H6     A  24          1H6         A  24  27.358 -14.720   9.695
  239   2H6     A  24          2H6         A  24  25.698 -14.973  10.181
  240    H2     A  24           H2         A  24  28.271 -17.683   6.526
  241   1H5*    C  25          1H5*        C  25  20.302 -25.251   9.675
  242   2H5*    C  25          2H5*        C  25  21.280 -23.815   9.421
  243    H4*    C  25           H4*        C  25  23.151 -24.679  10.463
  244    H3*    C  25           H3*        C  25  22.244 -27.432   9.791
  245    H2*    C  25           H2*        C  25  23.604 -28.189  11.639
  246   2HO*    C  25          2HO*        C  25  24.911 -26.233  12.549
  247    H1*    C  25           H1*        C  25  23.218 -25.937  13.230
  248   1H4     C  25          1H4         C  25  20.083 -30.410  16.463
  249   2H4     C  25          2H4         C  25  19.135 -30.861  15.063
  250    H5     C  25           H5         C  25  19.394 -29.818  12.904
  251    H6     C  25           H6         C  25  20.603 -28.153  11.635
  252   1H5*    A  26          1H5*        A  26  26.077 -24.330  10.999
  253   2H5*    A  26          2H5*        A  26  25.144 -24.636   9.528
  254    H4*    A  26           H4*        A  26  27.426 -24.534   8.306
  255    H3*    A  26           H3*        A  26  28.163 -23.560  11.039
  256    H2*    A  26           H2*        A  26  29.053 -21.569  10.348
  257   2HO*    A  26          2HO*        A  26  30.549 -22.193   8.898
  258    H1*    A  26           H1*        A  26  27.552 -21.019   8.085
  259    H8     A  26           H8         A  26  25.104 -21.725  10.837
  260   1H6     A  26          1H6         A  26  26.648 -16.213  13.246
  261   2H6     A  26          2H6         A  26  25.573 -17.577  13.429
  262    H2     A  26           H2         A  26  29.438 -17.147   9.896
  263   1H5*    C  27          1H5*        C  27  32.491 -23.719   9.471
  264   2H5*    C  27          2H5*        C  27  33.321 -24.770  10.627
  265    H4*    C  27           H4*        C  27  34.595 -22.681  10.405
  266    H3*    C  27           H3*        C  27  32.959 -22.225  12.880
  267    H2*    C  27           H2*        C  27  34.459 -20.354  13.144
  268   2HO*    C  27          2HO*        C  27  36.389 -20.959  12.502
  269    H1*    C  27           H1*        C  27  34.231 -19.705  10.439
  270   1H4     C  27          1H4         C  27  29.326 -16.858  13.850
  271   2H4     C  27          2H4         C  27  30.554 -15.646  13.560
  272    H5     C  27           H5         C  27  29.627 -19.065  13.398
  273    H6     C  27           H6         C  27  30.870 -20.760  11.950
  274   1H5*    C  28          1H5*        C  28  38.072 -21.577  13.601
  275   2H5*    C  28          2H5*        C  28  37.935 -22.433  15.145
  276    H4*    C  28           H4*        C  28  39.232 -20.117  14.957
  277    H3*    C  28           H3*        C  28  37.520 -21.190  17.150
  278    H2*    C  28           H2*        C  28  37.486 -19.226  18.367
  279   2HO*    C  28          2HO*        C  28  39.788 -18.895  18.186
  280    H1*    C  28           H1*        C  28  37.280 -17.359  16.331
  281   1H4     C  28          1H4         C  28  31.439 -20.161  17.761
  282   2H4     C  28          2H4         C  28  31.525 -18.699  18.731
  283    H5     C  28           H5         C  28  33.173 -20.965  16.453
  284    H6     C  28           H6         C  28  35.330 -20.371  15.282
  285   1H5*    G  29          1H5*        G  29  40.392 -20.192  19.382
  286   2H5*    G  29          2H5*        G  29  41.216 -21.219  20.565
  287    H4*    G  29           H4*        G  29  39.944 -19.308  21.567
  288    H3*    G  29           H3*        G  29  38.590 -21.952  22.219
  289    H2*    G  29           H2*        G  29  37.108 -20.713  23.579
  290   2HO*    G  29          2HO*        G  29  37.482 -18.533  24.057
  291    H1*    G  29           H1*        G  29  36.878 -18.569  21.769
  292    H8     G  29           H8         G  29  36.514 -21.478  19.384
  293    H1     G  29           H1         G  29  30.995 -19.355  21.940
  294   1H2     G  29          1H2         G  29  33.256 -17.905  24.437
  295   2H2     G  29          2H2         G  29  31.602 -18.101  23.906
  296   1H5*    G  30          1H5*        G  30  39.136 -20.192  25.383
  297   2H5*    G  30          2H5*        G  30  39.323 -20.836  27.026
  298    H4*    G  30           H4*        G  30  37.144 -19.696  26.574
  299    H3*    G  30           H3*        G  30  37.088 -22.651  27.207
  300    H2*    G  30           H2*        G  30  34.802 -22.725  26.825
  301   2HO*    G  30          2HO*        G  30  34.940 -20.448  28.282
  302    H1*    G  30           H1*        G  30  34.745 -20.144  25.472
  303    H8     G  30           H8         G  30  35.955 -22.345  22.655
  304    H1     G  30           H1         G  30  29.601 -22.339  23.243
  305   1H2     G  30          1H2         G  30  30.088 -21.179  26.512
  306   2H2     G  30          2H2         G  30  28.957 -21.640  25.255
  Start of MODEL    9
    1   1H5*    A   3          1H5*        A   3  25.826  -5.255  26.539
    2   2H5*    A   3          2H5*        A   3  24.595  -4.343  27.397
    3    H4*    A   3           H4*        A   3  24.113  -3.186  25.590
    4    H3*    A   3           H3*        A   3  23.275  -5.769  24.045
    5    H2*    A   3           H2*        A   3  22.930  -4.438  22.185
    6   2HO*    A   3          2HO*        A   3  22.570  -2.302  22.230
    7    H1*    A   3           H1*        A   3  25.352  -2.924  22.548
    8    H8     A   3           H8         A   3  26.699  -5.977  22.850
    9   1H6     A   3          1H6         A   3  27.653  -6.739  18.179
   10   2H6     A   3          2H6         A   3  26.946  -6.089  16.688
   11    H2     A   3           H2         A   3  23.683  -3.273  17.980
   12   1H5*    G   4          1H5*        G   4  20.358  -4.313  23.017
   13   2H5*    G   4          2H5*        G   4  18.765  -5.022  23.347
   14    H4*    G   4           H4*        G   4  18.962  -4.675  21.013
   15    H3*    G   4           H3*        G   4  20.012  -7.667  21.034
   16    H2*    G   4           H2*        G   4  19.886  -7.521  18.630
   17   2HO*    G   4          2HO*        G   4  18.989  -5.665  17.652
   18    H1*    G   4           H1*        G   4  20.988  -4.998  18.588
   19    H8     G   4           H8         G   4  23.188  -6.641  20.938
   20    H1     G   4           H1         G   4  24.262  -7.586  14.661
   21   1H2     G   4          1H2         G   4  20.815  -6.515  14.616
   22   2H2     G   4          2H2         G   4  22.194  -7.032  13.683
   23   1H5*    U   5          1H5*        U   5  16.328  -7.851  18.933
   24   2H5*    U   5          2H5*        U   5  15.268  -9.224  19.293
   25    H4*    U   5           H4*        U   5  15.604  -9.028  16.872
   26    H3*    U   5           H3*        U   5  17.355 -11.378  17.815
   27    H2*    U   5           H2*        U   5  17.674 -11.779  15.477
   28   2HO*    U   5          2HO*        U   5  15.463 -10.069  15.273
   29    H1*    U   5           H1*        U   5  18.176  -9.223  14.904
   30    H3     U   5           H3         U   5  22.370 -10.414  14.605
   31    H5     U   5           H5         U   5  21.770  -9.699  18.721
   32    H6     U   5           H6         U   5  19.351  -9.630  18.286
   33   1H5*    G   6          1H5*        G   6  15.656 -12.703  14.953
   34   2H5*    G   6          2H5*        G   6  15.103 -14.386  14.834
   35    H4*    G   6           H4*        G   6  16.783 -13.897  13.233
   36    H3*    G   6           H3*        G   6  17.867 -15.629  15.430
   37    H2*    G   6           H2*        G   6  19.812 -15.852  14.057
   38   2HO*    G   6          2HO*        G   6  17.993 -15.269  12.061
   39    H1*    G   6           H1*        G   6  19.712 -13.389  13.060
   40    H8     G   6           H8         G   6  19.714 -12.900  16.808
   41    H1     G   6           H1         G   6  25.521 -13.225  14.130
   42   1H2     G   6          1H2         G   6  23.858 -14.746  11.421
   43   2H2     G   6          2H2         G   6  25.369 -14.195  12.109
   44   1H5*    G   7          1H5*        G   7  19.035 -19.379  15.921
   45   2H5*    G   7          2H5*        G   7  18.636 -17.640  15.889
   46    H4*    G   7           H4*        G   7  20.063 -18.092  13.537
   47    H3*    G   7           H3*        G   7  21.082 -20.059  15.486
   48    H2*    G   7           H2*        G   7  22.987 -18.824  16.120
   49   2HO*    G   7          2HO*        G   7  24.326 -17.946  14.413
   50    H1*    G   7           H1*        G   7  22.721 -16.674  14.464
   51    H8     G   7           H8         G   7  20.970 -15.778  17.603
   52    H1     G   7           H1         G   7  27.353 -14.910  17.586
   53   1H2     G   7          1H2         G   7  27.110 -17.200  14.820
   54   2H2     G   7          2H2         G   7  28.139 -16.220  15.838
   55   1H5*   CH   8          1H5*       CH   8  22.073 -23.926  14.913
   56   2H5*   CH   8          2H5*       CH   8  21.496 -22.311  15.410
   57    H4*   CH   8           H4*       CH   8  24.311 -22.612  14.183
   58    H3*   CH   8           H3*       CH   8  23.949 -23.435  17.255
   59    H2*   CH   8           H2*       CH   8  26.247 -22.668  17.320
   60   2HO*   CH   8          2HO*       CH   8  26.214 -23.242  14.472
   61    H1*   CH   8           H1*       CH   8  26.052 -21.079  15.244
   62    HN3   CH   8           HN3       CH   8  28.635 -18.828  18.017
   63   1H4    CH   8          1H4        CH   8  28.464 -17.498  19.334
   64   2H4    CH   8          2H4        CH   8  27.135 -16.851  20.229
   65    H5    CH   8           H5        CH   8  24.751 -18.332  19.679
   66    H6    CH   8           H6        CH   8  23.910 -19.979  17.989
   67   1H5*    G   9          1H5*        G   9  22.676 -27.214  18.767
   68   2H5*    G   9          2H5*        G   9  21.700 -25.729  18.588
   69    H4*    G   9           H4*        G   9  22.335 -26.277  20.967
   70    H3*    G   9           H3*        G   9  22.441 -23.813  19.704
   71    H2*    G   9           H2*        G   9  24.625 -23.433  19.422
   72   2HO*    G   9          2HO*        G   9  23.934 -22.681  21.860
   73    H1*    G   9           H1*        G   9  25.665 -25.118  21.686
   74    H8     G   9           H8         G   9  25.547 -25.090  17.818
   75    H1     G   9           H1         G   9  31.283 -26.213  20.341
   76   1H2     G   9          1H2         G   9  31.136 -26.273  22.553
   77   2H2     G   9          2H2         G   9  29.625 -26.031  23.402
   78   1H5*    C  10          1H5*        C  10  22.375 -23.368  24.404
   79   2H5*    C  10          2H5*        C  10  21.405 -21.994  24.875
   80    H4*    C  10           H4*        C  10  23.250 -22.079  26.480
   81    H3*    C  10           H3*        C  10  24.559 -20.280  24.389
   82    H2*    C  10           H2*        C  10  26.145 -19.922  25.874
   83   2HO*    C  10          2HO*        C  10  24.230 -20.893  27.657
   84    H1*    C  10           H1*        C  10  26.337 -22.688  26.344
   85   1H4     C  10          1H4         C  10  29.339 -23.743  20.787
   86   2H4     C  10          2H4         C  10  30.634 -23.255  21.874
   87    H5     C  10           H5         C  10  27.011 -23.423  21.285
   88    H6     C  10           H6         C  10  25.454 -23.004  22.898
   89   1H5*    C  11          1H5*        C  11  24.469 -15.778  28.174
   90   2H5*    C  11          2H5*        C  11  24.131 -15.539  26.471
   91    H4*    C  11           H4*        C  11  26.715 -16.469  27.709
   92    H3*    C  11           H3*        C  11  26.088 -14.817  25.234
   93    H2*    C  11           H2*        C  11  28.364 -15.161  24.693
   94   2HO*    C  11          2HO*        C  11  29.830 -15.967  26.304
   95    H1*    C  11           H1*        C  11  28.337 -17.688  26.071
   96   1H4     C  11          1H4         C  11  28.434 -20.490  20.505
   97   2H4     C  11          2H4         C  11  30.048 -20.173  20.934
   98    H5     C  11           H5         C  11  26.440 -19.413  21.642
   99    H6     C  11           H6         C  11  25.912 -17.897  23.360
  100   1H5*    G  12          1H5*        G  12  28.626 -12.028  26.885
  101   2H5*    G  12          2H5*        G  12  28.411 -10.372  26.217
  102    H4*    G  12           H4*        G  12  30.588 -11.654  25.544
  103    H3*    G  12           H3*        G  12  28.841 -11.039  23.078
  104    H2*    G  12           H2*        G  12  30.767 -11.548  21.975
  105   2HO*    G  12          2HO*        G  12  31.968 -11.131  24.430
  106    H1*    G  12           H1*        G  12  31.431 -13.618  23.394
  107    H8     G  12           H8         G  12  27.847 -14.255  22.754
  108    H1     G  12           H1         G  12  32.166 -16.967  18.813
  109   1H2     G  12          1H2         G  12  34.418 -14.743  20.349
  110   2H2     G  12          2H2         G  12  34.184 -16.049  19.197
  111   1H5*    A  13          1H5*        A  13  32.834  -7.544  21.209
  112   2H5*    A  13          2H5*        A  13  31.823  -8.619  20.228
  113    H4*    A  13           H4*        A  13  33.998  -9.057  19.480
  114    H3*    A  13           H3*        A  13  32.672 -11.072  20.984
  115    H2*    A  13           H2*        A  13  34.233 -11.703  22.519
  116   2HO*    A  13          2HO*        A  13  35.341 -12.326  20.081
  117    H1*    A  13           H1*        A  13  36.566 -10.300  21.599
  118    H8     A  13           H8         A  13  33.704 -10.205  24.248
  119   1H6     A  13          1H6         A  13  38.128  -8.519  28.164
  120   2H6     A  13          2H6         A  13  36.436  -8.931  27.999
  121    H2     A  13           H2         A  13  39.937  -8.765  24.059
  122   1H5*    C  14          1H5*        C  14  35.253 -13.762  18.632
  123   2H5*    C  14          2H5*        C  14  36.509 -13.681  17.410
  124    H4*    C  14           H4*        C  14  35.442 -15.454  16.547
  125    H3*    C  14           H3*        C  14  33.867 -13.074  15.580
  126    H2*    C  14           H2*        C  14  32.028 -14.481  14.889
  127   2HO*    C  14          2HO*        C  14  32.330 -16.605  14.490
  128    H1*    C  14           H1*        C  14  32.252 -16.350  16.710
  129   1H4     C  14          1H4         C  14  28.551 -12.535  20.282
  130   2H4     C  14          2H4         C  14  27.452 -13.495  19.324
  131    H5     C  14           H5         C  14  30.981 -12.490  19.821
  132    H6     C  14           H6         C  14  32.721 -13.312  18.327
  133   1H5*    C  15          1H5*        C  15  34.065 -15.248  11.350
  134   2H5*    C  15          2H5*        C  15  33.948 -13.778  10.372
  135    H4*    C  15           H4*        C  15  32.120 -15.748  10.303
  136    H3*    C  15           H3*        C  15  31.821 -12.776   9.932
  137    H2*    C  15           H2*        C  15  29.552 -12.970   9.785
  138   2HO*    C  15          2HO*        C  15  29.896 -15.045   8.505
  139    H1*    C  15           H1*        C  15  29.155 -15.278  11.326
  140   1H4     C  15          1H4         C  15  28.149 -11.672  16.503
  141   2H4     C  15          2H4         C  15  26.584 -12.191  15.947
  142    H5     C  15           H5         C  15  30.156 -11.952  15.314
  143    H6     C  15           H6         C  15  31.217 -12.779  13.194
  144   1H5*    A  16          1H5*        A  16  28.805 -12.536   5.706
  145   2H5*    A  16          2H5*        A  16  29.160 -11.342   6.943
  146    H4*    A  16           H4*        A  16  26.678 -12.855   6.365
  147    H3*    A  16           H3*        A  16  27.075 -10.099   7.599
  148    H2*    A  16           H2*        A  16  24.799 -10.434   8.623
  149   2HO*    A  16          2HO*        A  16  24.603 -12.275   6.414
  150    H1*    A  16           H1*        A  16  24.906 -12.908   9.003
  151    H8     A  16           H8         A  16  28.099 -11.450  10.407
  152   1H6     A  16          1H6         A  16  26.399 -10.597  14.808
  153   2H6     A  16          2H6         A  16  24.766 -10.399  15.462
  154    H2     A  16           H2         A  16  21.961 -11.017  12.073
  155   1H5*    C  17          1H5*        C  17  23.905  -8.425   5.314
  156   2H5*    C  17          2H5*        C  17  24.256  -6.718   5.508
  157    H4*    C  17           H4*        C  17  22.332  -7.911   6.922
  158    H3*    C  17           H3*        C  17  24.327  -5.986   8.112
  159    H2*    C  17           H2*        C  17  23.006  -5.971  10.056
  160   2HO*    C  17          2HO*        C  17  21.010  -7.009  10.158
  161    H1*    C  17           H1*        C  17  22.494  -8.522  10.022
  162   1H4     C  17          1H4         C  17  27.690  -8.741  13.788
  163   2H4     C  17          2H4         C  17  26.354  -8.225  14.748
  164    H5     C  17           H5         C  17  27.571  -8.804  11.104
  165    H6     C  17           H6         C  17  25.988  -8.646   9.341
  166   1H5*    U  18          1H5*        U  18  21.370  -1.168   8.768
  167   2H5*    U  18          2H5*        U  18  23.059  -1.602   8.917
  168    H4*    U  18           H4*        U  18  20.766  -2.685  10.618
  169    H3*    U  18           H3*        U  18  22.194  -0.296  10.999
  170    H2*    U  18           H2*        U  18  23.851  -1.229  12.590
  171   2HO*    U  18          2HO*        U  18  22.444  -2.106  14.485
  172    H1*    U  18           H1*        U  18  21.999  -3.299  13.106
  173    H3     U  18           H3         U  18  25.162  -4.517  16.001
  174    H5     U  18           H5         U  18  26.450  -5.536  12.132
  175    H6     U  18           H6         U  18  24.861  -4.050  11.280
  176   1H5*    U  19          1H5*        U  19  18.185  -2.271  12.393
  177   2H5*    U  19          2H5*        U  19  16.871  -1.356  11.739
  178    H4*    U  19           H4*        U  19  16.183  -2.092  14.043
  179    H3*    U  19           H3*        U  19  16.046   0.721  13.759
  180    H2*    U  19           H2*        U  19  18.547   0.938  14.530
  181   2HO*    U  19          2HO*        U  19  16.916   2.377  15.554
  182    H1*    U  19           H1*        U  19  17.438  -0.744  16.736
  183    H3     U  19           H3         U  19  21.041  -0.616  19.397
  184    H5     U  19           H5         U  19  22.719  -0.158  15.541
  185    H6     U  19           H6         U  19  20.558  -0.208  14.656
  186   1H5*    A  20          1H5*        A  20  14.435  -0.791  12.150
  187   2H5*    A  20          2H5*        A  20  12.773  -1.359  12.385
  188    H4*    A  20           H4*        A  20  14.173  -2.635  10.645
  189    H3*    A  20           H3*        A  20  12.296  -3.576  12.448
  190    H2*    A  20           H2*        A  20  13.584  -4.969  13.804
  191   2HO*    A  20          2HO*        A  20  14.339  -6.921  12.523
  192    H1*    A  20           H1*        A  20  15.772  -5.306  11.749
  193    H8     A  20           H8         A  20  14.938  -4.450  15.455
  194   1H6     A  20          1H6         A  20  19.400  -4.436  17.275
  195   2H6     A  20          2H6         A  20  20.982  -4.632  16.560
  196    H2     A  20           H2         A  20  20.386  -5.123  12.172
  197   1H5*    A  21          1H5*        A  21  12.297  -7.303   8.423
  198   2H5*    A  21          2H5*        A  21  10.915  -8.038   9.258
  199    H4*    A  21           H4*        A  21  12.608  -9.680   8.353
  200    H3*    A  21           H3*        A  21  11.659  -9.625  11.204
  201    H2*    A  21           H2*        A  21  13.526 -10.680  12.126
  202   2HO*    A  21          2HO*        A  21  14.295 -12.499  11.163
  203    H1*    A  21           H1*        A  21  15.243 -10.796   9.977
  204    H8     A  21           H8         A  21  14.260  -8.724  13.044
  205   1H6     A  21          1H6         A  21  18.957  -7.325  14.087
  206   2H6     A  21          2H6         A  21  20.422  -7.558  13.169
  207    H2     A  21           H2         A  21  19.418  -9.924   9.554
  208   1H5*    A  22          1H5*        A  22  12.411 -14.791   7.593
  209   2H5*    A  22          2H5*        A  22  13.786 -15.002   8.666
  210    H4*    A  22           H4*        A  22  13.581 -12.968   6.371
  211    H3*    A  22           H3*        A  22  15.107 -15.513   6.933
  212    H2*    A  22           H2*        A  22  17.137 -14.629   6.596
  213   2HO*    A  22          2HO*        A  22  17.468 -13.117   4.817
  214    H1*    A  22           H1*        A  22  16.373 -11.831   6.334
  215    H8     A  22           H8         A  22  16.729 -13.401   9.792
  216   1H6     A  22          1H6         A  22  21.363 -12.460  10.675
  217   2H6     A  22          2H6         A  22  22.609 -11.673   9.732
  218    H2     A  22           H2         A  22  20.963 -10.569   5.933
  219   1H5*    A  23          1H5*        A  23  17.052 -14.943   3.910
  220   2H5*    A  23          2H5*        A  23  16.823 -16.260   2.748
  221    H4*    A  23           H4*        A  23  19.070 -16.304   2.855
  222    H3*    A  23           H3*        A  23  18.435 -17.872   5.438
  223    H2*    A  23           H2*        A  23  21.019 -18.261   5.487
  224   2HO*    A  23          2HO*        A  23  22.052 -17.906   3.734
  225    H1*    A  23           H1*        A  23  21.475 -15.622   4.861
  226    H8     A  23           H8         A  23  18.559 -16.089   7.425
  227   1H6     A  23          1H6         A  23  21.094 -14.390  11.292
  228   2H6     A  23          2H6         A  23  22.719 -13.849  11.415
  229    H2     A  23           H2         A  23  24.719 -14.529   7.426
  230   1H5*    A  24          1H5*        A  24  21.861 -21.668   3.613
  231   2H5*    A  24          2H5*        A  24  20.772 -22.443   4.779
  232    H4*    A  24           H4*        A  24  23.284 -22.324   5.511
  233    H3*    A  24           H3*        A  24  21.033 -21.906   7.304
  234    H2*    A  24           H2*        A  24  22.216 -20.527   8.549
  235   2HO*    A  24          2HO*        A  24  23.347 -21.782   9.784
  236    H1*    A  24           H1*        A  24  24.754 -20.784   6.962
  237    H8     A  24           H8         A  24  22.266 -18.337   8.740
  238   1H6     A  24          1H6         A  24  25.585 -15.010   9.865
  239   2H6     A  24          2H6         A  24  27.209 -14.721   9.292
  240    H2     A  24           H2         A  24  28.083 -17.771   6.203
  241   1H5*    C  25          1H5*        C  25  20.067 -25.539   8.407
  242   2H5*    C  25          2H5*        C  25  21.386 -24.366   8.585
  243    H4*    C  25           H4*        C  25  21.643 -25.923  10.331
  244    H3*    C  25           H3*        C  25  23.657 -25.580   8.494
  245    H2*    C  25           H2*        C  25  23.104 -27.205   7.119
  246   2HO*    C  25          2HO*        C  25  24.636 -28.824   8.884
  247    H1*    C  25           H1*        C  25  22.559 -29.200   9.301
  248   1H4     C  25          1H4         C  25  19.318 -32.818   5.293
  249   2H4     C  25          2H4         C  25  19.521 -31.681   3.980
  250    H5     C  25           H5         C  25  20.813 -29.658   4.223
  251    H6     C  25           H6         C  25  21.478 -27.945   5.845
  252   1H5*    A  26          1H5*        A  26  26.001 -23.801  11.410
  253   2H5*    A  26          2H5*        A  26  24.958 -24.414  10.118
  254    H4*    A  26           H4*        A  26  27.104 -24.545   8.696
  255    H3*    A  26           H3*        A  26  28.118 -23.256  11.151
  256    H2*    A  26           H2*        A  26  28.850 -21.294  10.233
  257   2HO*    A  26          2HO*        A  26  30.257 -22.218   8.757
  258    H1*    A  26           H1*        A  26  27.216 -20.947   8.047
  259    H8     A  26           H8         A  26  24.850 -21.575  10.833
  260   1H6     A  26          1H6         A  26  26.339 -16.057  13.188
  261   2H6     A  26          2H6         A  26  25.285 -17.438  13.376
  262    H2     A  26           H2         A  26  29.149 -17.000   9.826
  263   1H5*    C  27          2H5*        C  27  31.607 -23.640   9.302
  264   2H5*    C  27          1H5*        C  27  33.004 -24.568   9.871
  265    H4*    C  27           H4*        C  27  33.565 -22.153   9.681
  266    H3*    C  27           H3*        C  27  33.346 -22.621  12.627
  267    H2*    C  27           H2*        C  27  33.949 -20.390  12.773
  268   2HO*    C  27          2HO*        C  27  35.864 -20.645  11.603
  269    H1*    C  27           H1*        C  27  33.028 -19.730  10.106
  270   1H4     C  27          1H4         C  27  30.084 -15.301  13.306
  271   2H4     C  27          2H4         C  27  28.793 -16.408  13.719
  272    H5     C  27           H5         C  27  29.076 -18.722  13.651
  273    H6     C  27           H6         C  27  30.146 -20.562  12.310
  274   1H5*    C  28          1H5*        C  28  37.603 -22.630  14.969
  275   2H5*    C  28          2H5*        C  28  36.021 -21.981  15.418
  276    H4*    C  28           H4*        C  28  38.526 -20.398  14.709
  277    H3*    C  28           H3*        C  28  37.210 -21.261  17.198
  278    H2*    C  28           H2*        C  28  36.685 -19.250  18.119
  279   2HO*    C  28          2HO*        C  28  38.867 -18.169  16.630
  280    H1*    C  28           H1*        C  28  36.525 -17.509  15.952
  281   1H4     C  28          1H4         C  28  30.649 -20.281  17.395
  282   2H4     C  28          2H4         C  28  30.767 -18.898  18.463
  283    H5     C  28           H5         C  28  32.308 -20.992  15.965
  284    H6     C  28           H6         C  28  34.507 -20.470  14.898
  285   1H5*    G  29          1H5*        G  29  40.552 -19.862  19.181
  286   2H5*    G  29          2H5*        G  29  41.363 -20.977  20.297
  287    H4*    G  29           H4*        G  29  40.203 -18.966  21.352
  288    H3*    G  29           H3*        G  29  38.867 -21.581  22.125
  289    H2*    G  29           H2*        G  29  37.544 -20.280  23.634
  290   2HO*    G  29          2HO*        G  29  39.652 -18.526  23.356
  291    H1*    G  29           H1*        G  29  37.101 -18.251  21.761
  292    H8     G  29           H8         G  29  36.746 -21.330  19.581
  293    H1     G  29           H1         G  29  31.257 -19.220  22.198
  294   1H2     G  29          1H2         G  29  33.577 -17.506  24.467
  295   2H2     G  29          2H2         G  29  31.910 -17.796  24.031
  296   1H5*    G  30          1H5*        G  30  40.578 -20.144  25.423
  297   2H5*    G  30          2H5*        G  30  40.993 -21.005  26.918
  298    H4*    G  30           H4*        G  30  38.856 -19.671  26.971
  299    H3*    G  30           H3*        G  30  38.697 -22.671  27.335
  300    H2*    G  30           H2*        G  30  36.375 -22.535  27.567
  301   2HO*    G  30          2HO*        G  30  37.044 -20.218  28.826
  302    H1*    G  30           H1*        G  30  36.118 -20.084  26.094
  303    H8     G  30           H8         G  30  37.270 -22.448  23.368
  304    H1     G  30           H1         G  30  30.964 -22.289  24.136
  305   1H2     G  30          1H2         G  30  31.563 -20.939  27.308
  306   2H2     G  30          2H2         G  30  30.387 -21.455  26.114
  Start of MODEL   10
    1   1H5*    A   3          1H5*        A   3  23.785  -3.563  21.180
    2   2H5*    A   3          2H5*        A   3  23.329  -1.916  21.697
    3    H4*    A   3           H4*        A   3  22.039  -3.419  23.041
    4    H3*    A   3           H3*        A   3  23.768  -2.697  25.101
    5    H2*    A   3           H2*        A   3  25.663  -3.870  24.255
    6   2HO*    A   3          2HO*        A   3  24.348  -5.064  26.289
    7    H1*    A   3           H1*        A   3  24.141  -6.189  23.779
    8    H8     A   3           H8         A   3  27.064  -6.550  23.537
    9   1H6     A   3          1H6         A   3  28.546  -6.952  18.805
   10   2H6     A   3          2H6         A   3  27.868  -6.243  17.324
   11    H2     A   3           H2         A   3  24.260  -3.916  18.518
   12   1H5*    G   4          1H5*        G   4  20.552  -4.714  24.009
   13   2H5*    G   4          2H5*        G   4  19.197  -5.710  24.348
   14    H4*    G   4           H4*        G   4  19.382  -5.064  21.940
   15    H3*    G   4           H3*        G   4  20.437  -8.068  21.793
   16    H2*    G   4           H2*        G   4  20.403  -7.780  19.400
   17   2HO*    G   4          2HO*        G   4  18.715  -5.587  20.104
   18    H1*    G   4           H1*        G   4  21.459  -5.276  19.526
   19    H8     G   4           H8         G   4  23.552  -7.000  21.828
   20    H1     G   4           H1         G   4  24.815  -7.647  15.594
   21   1H2     G   4          1H2         G   4  21.362  -6.552  15.544
   22   2H2     G   4          2H2         G   4  22.752  -7.018  14.606
   23   1H5*    U   5          1H5*        U   5  16.917  -8.087  19.481
   24   2H5*    U   5          2H5*        U   5  15.769  -9.393  19.785
   25    H4*    U   5           H4*        U   5  16.160  -9.216  17.388
   26    H3*    U   5           H3*        U   5  17.810 -11.636  18.342
   27    H2*    U   5           H2*        U   5  18.272 -11.978  16.022
   28   2HO*    U   5          2HO*        U   5  16.087 -10.264  15.740
   29    H1*    U   5           H1*        U   5  18.779  -9.414  15.486
   30    H3     U   5           H3         U   5  22.944 -10.648  15.245
   31    H5     U   5           H5         U   5  22.344  -9.888  19.320
   32    H6     U   5           H6         U   5  19.917  -9.858  18.867
   33   1H5*    G   6          1H5*        G   6  15.784 -13.263  15.023
   34   2H5*    G   6          2H5*        G   6  15.321 -14.954  15.303
   35    H4*    G   6           H4*        G   6  16.809 -14.597  13.381
   36    H3*    G   6           H3*        G   6  18.003 -16.195  15.652
   37    H2*    G   6           H2*        G   6  19.788 -16.691  14.104
   38   2HO*    G   6          2HO*        G   6  17.827 -15.967  12.270
   39    H1*    G   6           H1*        G   6  19.833 -14.204  13.076
   40    H8     G   6           H8         G   6  19.803 -13.730  16.839
   41    H1     G   6           H1         G   6  25.569 -13.933  14.119
   42   1H2     G   6          1H2         G   6  23.874 -15.431  11.402
   43   2H2     G   6          2H2         G   6  25.400 -14.879  12.065
   44   1H5*    G   7          1H5*        G   7  19.463 -19.663  16.616
   45   2H5*    G   7          2H5*        G   7  19.381 -17.911  16.259
   46    H4*    G   7           H4*        G   7  19.955 -19.485  13.876
   47    H3*    G   7           H3*        G   7  21.705 -20.009  16.307
   48    H2*    G   7           H2*        G   7  23.665 -19.797  14.777
   49   2HO*    G   7          2HO*        G   7  23.392 -19.686  12.651
   50    H1*    G   7           H1*        G   7  23.026 -17.617  13.839
   51    H8     G   7           H8         G   7  21.255 -16.965  16.995
   52    H1     G   7           H1         G   7  27.585 -15.777  17.316
   53   1H2     G   7          1H2         G   7  27.586 -17.799  14.321
   54   2H2     G   7          2H2         G   7  28.504 -16.849  15.469
   55   1H5*   CH   8          1H5*       CH   8  22.650 -23.131  13.768
   56   2H5*   CH   8          2H5*       CH   8  23.160 -24.731  14.287
   57    H4*   CH   8           H4*       CH   8  25.098 -23.491  13.144
   58    H3*   CH   8           H3*       CH   8  25.439 -23.318  16.317
   59    H2*   CH   8           H2*       CH   8  27.866 -22.671  15.337
   60   2HO*   CH   8          2HO*       CH   8  28.097 -22.524  13.166
   61    H1*   CH   8           H1*       CH   8  27.004 -21.104  13.898
   62    HN3   CH   8           HN3       CH   8  29.261 -19.169  17.165
   63   1H4    CH   8          1H4        CH   8  28.928 -18.071  18.663
   64   2H4    CH   8          2H4        CH   8  27.497 -17.662  19.562
   65    H5    CH   8           H5        CH   8  25.254 -19.044  18.575
   66    H6    CH   8           H6        CH   8  24.623 -20.473  16.639
   67   1H5*    G   9          1H5*        G   9  24.727 -24.105  18.585
   68   2H5*    G   9          2H5*        G   9  24.391 -25.814  18.968
   69    H4*    G   9           H4*        G   9  22.394 -23.690  18.032
   70    H3*    G   9           H3*        G   9  23.215 -24.747  20.701
   71    H2*    G   9           H2*        G   9  21.069 -25.034  21.493
   72   2HO*    G   9          2HO*        G   9  20.347 -22.975  20.857
   73    H1*    G   9           H1*        G   9  19.846 -25.854  19.160
   74    H8     G   9           H8         G   9  19.307 -27.777  20.931
   75    H1     G   9           H1         G   9  25.325 -29.871  20.708
   76   1H2     G   9          1H2         G   9  25.937 -26.966  18.880
   77   2H2     G   9          2H2         G   9  26.584 -28.434  19.576
   78   1H5*    C  10          1H5*        C  10  21.029 -23.107  24.093
   79   2H5*    C  10          2H5*        C  10  20.202 -21.502  24.067
   80    H4*    C  10           H4*        C  10  21.859 -21.463  25.896
   81    H3*    C  10           H3*        C  10  23.384 -20.154  23.597
   82    H2*    C  10           H2*        C  10  24.875 -19.535  25.191
   83   2HO*    C  10          2HO*        C  10  22.730 -20.048  26.923
   84    H1*    C  10           H1*        C  10  24.916 -22.184  26.226
   85   1H4     C  10          1H4         C  10  29.055 -23.774  21.971
   86   2H4     C  10          2H4         C  10  29.967 -22.604  22.920
   87    H5     C  10           H5         C  10  26.766 -24.175  22.336
   88    H6     C  10           H6         C  10  24.692 -23.401  23.282
   89   1H5*    C  11          1H5*        C  11  22.958 -17.966  26.318
   90   2H5*    C  11          2H5*        C  11  22.917 -16.281  26.842
   91    H4*    C  11           H4*        C  11  25.179 -17.150  27.189
   92    H3*    C  11           H3*        C  11  25.111 -15.475  24.651
   93    H2*    C  11           H2*        C  11  27.454 -15.732  24.602
   94   2HO*    C  11          2HO*        C  11  28.629 -16.448  26.388
   95    H1*    C  11           H1*        C  11  27.337 -18.338  25.699
   96   1H4     C  11          1H4         C  11  27.661 -20.505  19.802
   97   2H4     C  11          2H4         C  11  29.266 -20.169  20.248
   98    H5     C  11           H5         C  11  25.685 -19.713  21.041
   99    H6     C  11           H6         C  11  25.105 -18.373  22.853
  100   1H5*    G  12          1H5*        G  12  28.158 -13.914  26.638
  101   2H5*    G  12          2H5*        G  12  28.258 -12.132  26.550
  102    H4*    G  12           H4*        G  12  30.379 -13.198  25.819
  103    H3*    G  12           H3*        G  12  28.920 -12.249  23.281
  104    H2*    G  12           H2*        G  12  30.938 -12.720  22.242
  105   2HO*    G  12          2HO*        G  12  31.938 -12.646  24.834
  106    H1*    G  12           H1*        G  12  31.449 -14.884  23.484
  107    H8     G  12           H8         G  12  27.955 -15.465  22.477
  108    H1     G  12           H1         G  12  32.672 -17.340  18.570
  109   1H2     G  12          1H2         G  12  34.661 -15.318  20.604
  110   2H2     G  12          2H2         G  12  34.589 -16.414  19.233
  111   1H5*    A  13          1H5*        A  13  31.580  -8.803  21.613
  112   2H5*    A  13          2H5*        A  13  30.401  -9.831  20.800
  113    H4*    A  13           H4*        A  13  31.848 -10.422  19.111
  114    H3*    A  13           H3*        A  13  33.703 -11.018  21.222
  115    H2*    A  13           H2*        A  13  34.828  -9.017  21.241
  116   2HO*    A  13          2HO*        A  13  36.541  -9.013  19.643
  117    H1*    A  13           H1*        A  13  34.355  -8.348  18.355
  118    H8     A  13           H8         A  13  32.607  -6.188  20.543
  119   1H6     A  13          1H6         A  13  35.962  -3.075  22.060
  120   2H6     A  13          2H6         A  13  37.704  -3.025  21.904
  121    H2     A  13           H2         A  13  38.913  -6.773  19.729
  122   1H5*    C  14          1H5*        C  14  34.897 -13.601  18.629
  123   2H5*    C  14          2H5*        C  14  36.461 -13.910  17.996
  124    H4*    C  14           H4*        C  14  35.785 -15.363  16.486
  125    H3*    C  14           H3*        C  14  33.889 -13.187  15.598
  126    H2*    C  14           H2*        C  14  32.314 -14.839  14.741
  127   2HO*    C  14          2HO*        C  14  33.029 -16.888  14.265
  128    H1*    C  14           H1*        C  14  32.705 -16.742  16.461
  129   1H4     C  14          1H4         C  14  28.503 -13.577  20.231
  130   2H4     C  14          2H4         C  14  27.512 -14.499  19.125
  131    H5     C  14           H5         C  14  30.875 -13.310  19.905
  132    H6     C  14           H6         C  14  32.723 -13.871  18.465
  133   1H5*    C  15          1H5*        C  15  34.414 -14.196  10.654
  134   2H5*    C  15          2H5*        C  15  33.643 -12.644  10.428
  135    H4*    C  15           H4*        C  15  32.595 -15.202   9.856
  136    H3*    C  15           H3*        C  15  31.138 -12.596  10.177
  137    H2*    C  15           H2*        C  15  29.195 -13.642   9.647
  138   2HO*    C  15          2HO*        C  15  29.149 -15.563   8.830
  139    H1*    C  15           H1*        C  15  29.557 -15.918  11.174
  140   1H4     C  15          1H4         C  15  28.179 -12.417  16.501
  141   2H4     C  15          2H4         C  15  26.612 -12.943  15.954
  142    H5     C  15           H5         C  15  30.085 -12.635  15.374
  143    H6     C  15           H6         C  15  31.206 -13.348  13.341
  144   1H5*    A  16          1H5*        A  16  28.514 -13.080   5.734
  145   2H5*    A  16          2H5*        A  16  29.088 -11.912   6.912
  146    H4*    A  16           H4*        A  16  26.490 -13.443   6.786
  147    H3*    A  16           H3*        A  16  27.102 -10.563   7.482
  148    H2*    A  16           H2*        A  16  25.154 -10.709   9.128
  149   2HO*    A  16          2HO*        A  16  24.319 -12.564   7.118
  150    H1*    A  16           H1*        A  16  25.193 -13.252   9.516
  151    H8     A  16           H8         A  16  28.527 -11.871  10.772
  152   1H6     A  16          1H6         A  16  26.961 -10.918  15.305
  153   2H6     A  16          2H6         A  16  25.345 -10.685  16.003
  154    H2     A  16           H2         A  16  22.427 -11.238  12.654
  155   1H5*    C  17          1H5*        C  17  23.543  -7.455   6.079
  156   2H5*    C  17          2H5*        C  17  25.214  -7.481   6.681
  157    H4*    C  17           H4*        C  17  22.622  -8.054   8.207
  158    H3*    C  17           H3*        C  17  24.634  -5.818   8.677
  159    H2*    C  17           H2*        C  17  23.728  -5.693  10.826
  160   2HO*    C  17          2HO*        C  17  21.761  -6.792  11.337
  161    H1*    C  17           H1*        C  17  23.087  -8.365  10.932
  162   1H4     C  17          1H4         C  17  28.245  -8.767  14.721
  163   2H4     C  17          2H4         C  17  26.892  -8.298  15.686
  164    H5     C  17           H5         C  17  28.173  -8.683  12.046
  165    H6     C  17           H6         C  17  26.653  -8.391  10.277
  166   1H5*    U  18          1H5*        U  18  22.226  -1.178   9.517
  167   2H5*    U  18          2H5*        U  18  23.808  -1.948   9.405
  168    H4*    U  18           H4*        U  18  21.713  -3.010  11.322
  169    H3*    U  18           H3*        U  18  22.977  -0.464  11.747
  170    H2*    U  18           H2*        U  18  24.572  -1.378  13.416
  171   2HO*    U  18          2HO*        U  18  21.930  -1.650  14.296
  172    H1*    U  18           H1*        U  18  22.883  -3.614  13.609
  173    H3     U  18           H3         U  18  25.969  -4.807  16.625
  174    H5     U  18           H5         U  18  27.609  -5.357  12.820
  175    H6     U  18           H6         U  18  25.945  -3.975  11.944
  176   1H5*    U  19          1H5*        U  19  18.619  -2.081  12.430
  177   2H5*    U  19          2H5*        U  19  17.414  -0.856  11.990
  178    H4*    U  19           H4*        U  19  16.648  -2.106  14.069
  179    H3*    U  19           H3*        U  19  16.489   0.680  14.111
  180    H2*    U  19           H2*        U  19  18.949   0.844  15.110
  181   2HO*    U  19          2HO*        U  19  18.375   1.750  17.098
  182    H1*    U  19           H1*        U  19  17.694  -1.105  16.997
  183    H3     U  19           H3         U  19  21.131  -1.115  19.903
  184    H5     U  19           H5         U  19  23.023  -0.465  16.172
  185    H6     U  19           H6         U  19  20.914  -0.488  15.171
  186   1H5*    A  20          1H5*        A  20  14.440  -0.860  12.301
  187   2H5*    A  20          2H5*        A  20  12.842  -1.517  12.715
  188    H4*    A  20           H4*        A  20  14.162  -2.866  10.930
  189    H3*    A  20           H3*        A  20  13.298  -4.107  13.590
  190    H2*    A  20           H2*        A  20  14.150  -6.157  13.004
  191   2HO*    A  20          2HO*        A  20  14.302  -6.807  10.943
  192    H1*    A  20           H1*        A  20  16.317  -5.171  11.520
  193    H8     A  20           H8         A  20  14.835  -5.603  15.022
  194   1H6     A  20          1H6         A  20  20.601  -5.860  17.139
  195   2H6     A  20          2H6         A  20  18.914  -6.059  17.546
  196    H2     A  20           H2         A  20  20.779  -4.809  12.777
  197   1H5*    A  21          1H5*        A  21  12.713  -6.595   9.625
  198   2H5*    A  21          2H5*        A  21  11.190  -7.452   9.935
  199    H4*    A  21           H4*        A  21  12.915  -9.041   9.212
  200    H3*    A  21           H3*        A  21  11.827  -9.174  12.007
  201    H2*    A  21           H2*        A  21  13.586 -10.289  12.908
  202   2HO*    A  21          2HO*        A  21  13.974 -11.667  10.488
  203    H1*    A  21           H1*        A  21  15.411 -10.343  10.818
  204    H8     A  21           H8         A  21  15.114  -9.563  14.312
  205   1H6     A  21          1H6         A  21  20.737  -7.112  13.784
  206   2H6     A  21          2H6         A  21  19.553  -7.741  14.907
  207    H2     A  21           H2         A  21  19.041  -7.533   9.683
  208   1H5*    A  22          1H5*        A  22  12.186 -14.097   7.771
  209   2H5*    A  22          2H5*        A  22  13.595 -14.399   8.783
  210    H4*    A  22           H4*        A  22  13.263 -12.075   6.801
  211    H3*    A  22           H3*        A  22  14.613 -14.635   6.696
  212    H2*    A  22           H2*        A  22  16.677 -13.936   7.295
  213   2HO*    A  22          2HO*        A  22  17.623 -12.323   5.768
  214    H1*    A  22           H1*        A  22  16.097 -11.023   6.978
  215    H8     A  22           H8         A  22  16.245 -12.712  10.429
  216   1H6     A  22          1H6         A  22  22.110 -10.782  10.679
  217   2H6     A  22          2H6         A  22  20.813 -11.516  11.595
  218    H2     A  22           H2         A  22  20.683  -9.942   6.724
  219   1H5*    A  23          1H5*        A  23  16.015 -17.021   3.965
  220   2H5*    A  23          2H5*        A  23  15.417 -16.306   5.510
  221    H4*    A  23           H4*        A  23  18.327 -16.080   4.386
  222    H3*    A  23           H3*        A  23  17.740 -18.100   6.735
  223    H2*    A  23           H2*        A  23  20.144 -17.807   7.242
  224   2HO*    A  23          2HO*        A  23  20.938 -17.945   5.316
  225    H1*    A  23           H1*        A  23  20.121 -15.126   6.227
  226    H8     A  23           H8         A  23  17.551 -14.903   9.070
  227   1H6     A  23          1H6         A  23  20.723 -12.995  12.130
  228   2H6     A  23          2H6         A  23  22.449 -13.016  12.215
  229    H2     A  23           H2         A  23  23.907 -14.711   8.334
  230   1H5*    A  24          1H5*        A  24  23.221 -19.086   5.361
  231   2H5*    A  24          2H5*        A  24  22.194 -18.725   3.983
  232    H4*    A  24           H4*        A  24  22.258 -20.792   3.234
  233    H3*    A  24           H3*        A  24  21.539 -21.588   5.758
  234    H2*    A  24           H2*        A  24  23.431 -22.428   6.889
  235   2HO*    A  24          2HO*        A  24  24.766 -23.952   5.849
  236    H1*    A  24           H1*        A  24  25.567 -21.898   5.261
  237    H8     A  24           H8         A  24  22.896 -20.409   7.582
  238   1H6     A  24          1H6         A  24  27.113 -16.602   9.783
  239   2H6     A  24          2H6         A  24  25.549 -17.332  10.035
  240    H2     A  24           H2         A  24  28.714 -18.351   5.935
  241   1H5*    C  25          1H5*        C  25  21.956 -23.989   7.370
  242   2H5*    C  25          2H5*        C  25  23.546 -24.632   6.955
  243    H4*    C  25           H4*        C  25  21.624 -25.602   8.830
  244    H3*    C  25           H3*        C  25  24.316 -26.750   7.963
  245    H2*    C  25           H2*        C  25  23.853 -28.605   9.237
  246   2HO*    C  25          2HO*        C  25  23.243 -27.374  11.101
  247    H1*    C  25           H1*        C  25  21.093 -28.654   8.854
  248   1H4     C  25          1H4         C  25  24.044 -32.211   4.117
  249   2H4     C  25          2H4         C  25  23.459 -33.379   5.279
  250    H5     C  25           H5         C  25  23.714 -29.806   4.384
  251    H6     C  25           H6         C  25  23.225 -28.073   6.025
  252   1H5*    A  26          1H5*        A  26  28.262 -26.046  10.424
  253   2H5*    A  26          2H5*        A  26  27.753 -24.433  10.895
  254    H4*    A  26           H4*        A  26  29.007 -25.320   8.294
  255    H3*    A  26           H3*        A  26  29.847 -23.791  10.666
  256    H2*    A  26           H2*        A  26  30.390 -21.813   9.668
  257   2HO*    A  26          2HO*        A  26  31.916 -22.359   8.264
  258    H1*    A  26           H1*        A  26  28.812 -21.751   7.431
  259    H8     A  26           H8         A  26  26.343 -22.501   9.987
  260   1H6     A  26          1H6         A  26  27.438 -17.034  12.743
  261   2H6     A  26          2H6         A  26  26.447 -18.468  12.829
  262    H2     A  26           H2         A  26  30.477 -17.662   9.524
  263   1H5*    C  27          1H5*        C  27  33.109 -23.513   8.944
  264   2H5*    C  27          2H5*        C  27  34.671 -24.254   9.343
  265    H4*    C  27           H4*        C  27  34.992 -21.844   9.356
  266    H3*    C  27           H3*        C  27  34.630 -22.470  12.247
  267    H2*    C  27           H2*        C  27  34.965 -20.192  12.582
  268   2HO*    C  27          2HO*        C  27  36.344 -20.240  10.097
  269    H1*    C  27           H1*        C  27  34.174 -19.481   9.877
  270   1H4     C  27          1H4         C  27  29.483 -16.798  13.568
  271   2H4     C  27          2H4         C  27  30.678 -15.551  13.293
  272    H5     C  27           H5         C  27  29.917 -19.034  13.225
  273    H6     C  27           H6         C  27  31.222 -20.680  11.808
  274   1H5*    C  28          1H5*        C  28  38.684 -22.486  14.971
  275   2H5*    C  28          2H5*        C  28  37.053 -21.935  15.374
  276    H4*    C  28           H4*        C  28  39.547 -20.244  14.979
  277    H3*    C  28           H3*        C  28  37.991 -21.243  17.266
  278    H2*    C  28           H2*        C  28  37.298 -19.276  18.191
  279   2HO*    C  28          2HO*        C  28  39.572 -18.066  16.965
  280    H1*    C  28           H1*        C  28  37.278 -17.475  16.085
  281   1H4     C  28          1H4         C  28  31.464 -20.615  16.791
  282   2H4     C  28          2H4         C  28  31.392 -19.255  17.882
  283    H5     C  28           H5         C  28  33.302 -21.221  15.583
  284    H6     C  28           H6         C  28  35.546 -20.486  14.683
  285   1H5*    G  29          1H5*        G  29  40.172 -19.255  19.152
  286   2H5*    G  29          2H5*        G  29  41.082 -19.548  20.648
  287    H4*    G  29           H4*        G  29  39.057 -18.111  20.940
  288    H3*    G  29           H3*        G  29  38.711 -20.815  22.290
  289    H2*    G  29           H2*        G  29  36.551 -20.315  22.770
  290   2HO*    G  29          2HO*        G  29  37.687 -17.945  23.449
  291    H1*    G  29           H1*        G  29  36.376 -18.059  20.934
  292    H8     G  29           H8         G  29  35.923 -20.947  18.601
  293    H1     G  29           H1         G  29  30.452 -19.310  21.590
  294   1H2     G  29          1H2         G  29  32.739 -17.765  24.001
  295   2H2     G  29          2H2         G  29  31.074 -18.083  23.566
  296   1H5*    G  30          1H5*        G  30  38.178 -16.308  25.054
  297   2H5*    G  30          2H5*        G  30  38.769 -17.128  26.515
  298    H4*    G  30           H4*        G  30  36.698 -15.574  26.680
  299    H3*    G  30           H3*        G  30  36.876 -18.370  27.756
  300    H2*    G  30           H2*        G  30  34.603 -18.371  28.440
  301   2HO*    G  30          2HO*        G  30  35.087 -15.694  28.638
  302    H1*    G  30           H1*        G  30  33.575 -16.861  26.404
  303    H8     G  30           H8         G  30  35.841 -19.436  24.659
  304    H1     G  30           H1         G  30  29.647 -20.902  24.647
  305   1H2     G  30          1H2         G  30  29.306 -18.451  27.129
  306   2H2     G  30          2H2         G  30  28.532 -19.647  26.107
  Start of MODEL   11
    1   1H5*    A   3          1H5*        A   3  21.773  -6.629  26.369
    2   2H5*    A   3          2H5*        A   3  20.137  -6.256  26.899
    3    H4*    A   3           H4*        A   3  19.741  -5.198  25.015
    4    H3*    A   3           H3*        A   3  20.316  -7.656  23.210
    5    H2*    A   3           H2*        A   3  20.194  -6.136  21.434
    6   2HO*    A   3          2HO*        A   3  18.777  -4.662  21.396
    7    H1*    A   3           H1*        A   3  21.598  -3.949  22.953
    8    H8     A   3           H8         A   3  24.017  -6.017  23.210
    9   1H6     A   3          1H6         A   3  26.700  -5.576  19.264
   10   2H6     A   3          2H6         A   3  26.326  -5.167  17.574
   11    H2     A   3           H2         A   3  21.906  -4.347  17.422
   12   1H5*    G   4          1H5*        G   4  17.699  -6.144  21.947
   13   2H5*    G   4          2H5*        G   4  16.049  -6.139  21.306
   14    H4*    G   4           H4*        G   4  17.318  -5.597  19.456
   15    H3*    G   4           H3*        G   4  17.857  -8.687  19.218
   16    H2*    G   4           H2*        G   4  19.549  -8.296  17.656
   17   2HO*    G   4          2HO*        G   4  17.917  -6.133  16.999
   18    H1*    G   4           H1*        G   4  20.173  -5.738  18.452
   19    H8     G   4           H8         G   4  21.836  -7.784  21.152
   20    H1     G   4           H1         G   4  24.159  -7.677  15.180
   21   1H2     G   4          1H2         G   4  20.758  -6.749  14.837
   22   2H2     G   4          2H2         G   4  22.234  -7.092  14.000
   23   1H5*    U   5          1H5*        U   5  15.328  -9.694  13.913
   24   2H5*    U   5          2H5*        U   5  14.087 -10.067  15.052
   25    H4*    U   5           H4*        U   5  15.899 -11.518  15.161
   26    H3*    U   5           H3*        U   5  15.759  -9.985  17.713
   27    H2*    U   5           H2*        U   5  17.794  -9.471  17.052
   28   2HO*    U   5          2HO*        U   5  17.389 -10.499  19.180
   29    H1*    U   5           H1*        U   5  18.135 -11.993  16.066
   30    H3     U   5           H3         U   5  22.414 -10.781  14.620
   31    H5     U   5           H5         U   5  21.938 -10.981  18.839
   32    H6     U   5           H6         U   5  19.731 -10.792  18.525
   33   1H5*    G   6          1H5*        G   6  15.615 -13.684  14.930
   34   2H5*    G   6          2H5*        G   6  15.463 -15.392  14.882
   35    H4*    G   6           H4*        G   6  17.246 -14.453  13.468
   36    H3*    G   6           H3*        G   6  18.073 -16.305  15.698
   37    H2*    G   6           H2*        G   6  20.141 -16.476  14.499
   38   2HO*    G   6          2HO*        G   6  20.303 -15.375  12.437
   39    H1*    G   6           H1*        G   6  20.140 -13.958  13.689
   40    H8     G   6           H8         G   6  20.065 -13.704  17.562
   41    H1     G   6           H1         G   6  25.754 -13.690  14.522
   42   1H2     G   6          1H2         G   6  23.935 -14.950  11.767
   43   2H2     G   6          2H2         G   6  25.487 -14.450  12.409
   44   1H5*    G   7          1H5*        G   7  19.561 -19.396  16.904
   45   2H5*    G   7          2H5*        G   7  19.563 -17.641  16.617
   46    H4*    G   7           H4*        G   7  20.175 -19.212  14.205
   47    H3*    G   7           H3*        G   7  21.820 -19.683  16.699
   48    H2*    G   7           H2*        G   7  23.770 -19.650  15.170
   49   2HO*    G   7          2HO*        G   7  23.516 -19.486  13.047
   50    H1*    G   7           H1*        G   7  23.322 -17.438  14.247
   51    H8     G   7           H8         G   7  21.412 -16.691  17.342
   52    H1     G   7           H1         G   7  27.733 -15.425  17.821
   53   1H2     G   7          1H2         G   7  27.752 -17.492  14.836
   54   2H2     G   7          2H2         G   7  28.671 -16.532  15.967
   55   1H5*   CH   8          1H5*       CH   8  22.777 -22.734  14.255
   56   2H5*   CH   8          2H5*       CH   8  23.212 -24.369  14.713
   57    H4*   CH   8           H4*       CH   8  25.223 -23.225  13.648
   58    H3*   CH   8           H3*       CH   8  25.450 -23.015  16.826
   59    H2*   CH   8           H2*       CH   8  27.844 -22.439  16.202
   60   2HO*   CH   8          2HO*       CH   8  26.963 -22.917  13.484
   61    H1*   CH   8           H1*       CH   8  27.248 -20.970  14.461
   62    HN3   CH   8           HN3       CH   8  29.340 -18.857  17.831
   63   1H4    CH   8          1H4        CH   8  27.037 -17.338  19.936
   64   2H4    CH   8          2H4        CH   8  28.718 -17.380  19.656
   65    H5    CH   8           H5        CH   8  25.258 -18.624  18.906
   66    H6    CH   8           H6        CH   8  24.772 -20.147  17.060
   67   1H5*    G   9          1H5*        G   9  22.989 -27.343  17.383
   68   2H5*    G   9          2H5*        G   9  22.095 -25.868  17.830
   69    H4*    G   9           H4*        G   9  23.013 -27.191  19.765
   70    H3*    G   9           H3*        G   9  23.580 -24.350  19.208
   71    H2*    G   9           H2*        G   9  25.589 -24.279  20.120
   72   2HO*    G   9          2HO*        G   9  24.214 -24.239  22.118
   73    H1*    G   9           H1*        G   9  25.382 -27.102  21.187
   74    H8     G   9           H8         G   9  27.600 -25.392  18.448
   75    H1     G   9           H1         G   9  30.759 -28.597  22.954
   76   1H2     G   9          1H2         G   9  27.609 -29.163  24.333
   77   2H2     G   9          2H2         G   9  29.337 -29.405  24.452
   78   1H5*    C  10          1H5*        C  10  22.693 -24.433  23.951
   79   2H5*    C  10          2H5*        C  10  21.721 -22.992  24.147
   80    H4*    C  10           H4*        C  10  23.406 -22.988  25.956
   81    H3*    C  10           H3*        C  10  24.858 -21.252  23.916
   82    H2*    C  10           H2*        C  10  26.315 -20.793  25.504
   83   2HO*    C  10          2HO*        C  10  26.049 -21.539  27.610
   84    H1*    C  10           H1*        C  10  26.494 -23.555  26.117
   85   1H4     C  10          1H4         C  10  29.847 -24.833  20.807
   86   2H4     C  10          2H4         C  10  31.091 -24.305  21.932
   87    H5     C  10           H5         C  10  27.516 -24.440  21.172
   88    H6     C  10           H6         C  10  25.885 -24.006  22.671
   89   1H5*    C  11          1H5*        C  11  24.261 -16.216  26.832
   90   2H5*    C  11          2H5*        C  11  24.181 -16.373  25.043
   91    H4*    C  11           H4*        C  11  26.245 -17.659  26.989
   92    H3*    C  11           H3*        C  11  26.950 -15.293  25.129
   93    H2*    C  11           H2*        C  11  28.714 -16.413  24.344
   94   2HO*    C  11          2HO*        C  11  29.154 -16.498  26.987
   95    H1*    C  11           H1*        C  11  28.172 -18.942  25.702
   96   1H4     C  11          1H4         C  11  29.013 -21.563  20.099
   97   2H4     C  11          2H4         C  11  30.581 -21.235  20.668
   98    H5     C  11           H5         C  11  26.925 -20.538  21.092
   99    H6     C  11           H6         C  11  26.258 -19.070  22.764
  100   1H5*    G  12          1H5*        G  12  28.030 -11.407  26.026
  101   2H5*    G  12          2H5*        G  12  27.303 -12.882  25.288
  102    H4*    G  12           H4*        G  12  30.304 -12.530  26.045
  103    H3*    G  12           H3*        G  12  29.386 -11.759  23.167
  104    H2*    G  12           H2*        G  12  31.449 -12.300  22.627
  105   2HO*    G  12          2HO*        G  12  32.075 -12.073  25.300
  106    H1*    G  12           H1*        G  12  31.740 -14.492  23.900
  107    H8     G  12           H8         G  12  28.298 -14.858  22.843
  108    H1     G  12           H1         G  12  32.636 -17.339  19.011
  109   1H2     G  12          1H2         G  12  35.008 -15.468  20.821
  110   2H2     G  12          2H2         G  12  34.719 -16.625  19.530
  111   1H5*    A  13          1H5*        A  13  33.698 -10.087  21.735
  112   2H5*    A  13          2H5*        A  13  33.135  -8.406  21.817
  113    H4*    A  13           H4*        A  13  32.452 -10.344  19.506
  114    H3*    A  13           H3*        A  13  34.907  -8.871  19.922
  115    H2*    A  13           H2*        A  13  34.212  -6.870  19.114
  116   2HO*    A  13          2HO*        A  13  34.145  -6.952  16.712
  117    H1*    A  13           H1*        A  13  32.119  -8.157  17.394
  118    H8     A  13           H8         A  13  30.826  -5.938  20.038
  119   1H6     A  13          1H6         A  13  31.625  -1.090  16.342
  120   2H6     A  13          2H6         A  13  30.945  -1.646  17.855
  121    H2     A  13           H2         A  13  33.630  -4.634  14.437
  122   1H5*    C  14          1H5*        C  14  35.510 -13.903  19.016
  123   2H5*    C  14          2H5*        C  14  36.806 -13.780  17.842
  124    H4*    C  14           H4*        C  14  35.822 -15.482  16.797
  125    H3*    C  14           H3*        C  14  34.078 -13.128  16.118
  126    H2*    C  14           H2*        C  14  32.337 -14.615  15.247
  127   2HO*    C  14          2HO*        C  14  32.849 -16.688  14.710
  128    H1*    C  14           H1*        C  14  32.572 -16.531  16.975
  129   1H4     C  14          1H4         C  14  28.647 -13.187  20.713
  130   2H4     C  14          2H4         C  14  27.665 -14.139  19.617
  131    H5     C  14           H5         C  14  31.143 -12.928  20.343
  132    H6     C  14           H6         C  14  32.970 -13.589  18.868
  133   1H5*    C  15          1H5*        C  15  34.330 -14.934  11.641
  134   2H5*    C  15          2H5*        C  15  34.285 -13.377  10.814
  135    H4*    C  15           H4*        C  15  32.584 -15.265  10.238
  136    H3*    C  15           H3*        C  15  31.803 -12.349  10.410
  137    H2*    C  15           H2*        C  15  29.666 -12.974   9.805
  138   2HO*    C  15          2HO*        C  15  29.401 -14.698   8.742
  139    H1*    C  15           H1*        C  15  29.425 -15.314  11.228
  140   1H4     C  15          1H4         C  15  28.491 -12.356  16.859
  141   2H4     C  15          2H4         C  15  26.894 -12.852  16.369
  142    H5     C  15           H5         C  15  30.330 -12.432  15.616
  143    H6     C  15           H6         C  15  31.377 -13.014  13.496
  144   1H5*    A  16          1H5*        A  16  29.638 -11.575   6.106
  145   2H5*    A  16          2H5*        A  16  29.782 -10.713   7.576
  146    H4*    A  16           H4*        A  16  27.390 -11.860   6.272
  147    H3*    A  16           H3*        A  16  27.718  -9.321   7.932
  148    H2*    A  16           H2*        A  16  25.379  -9.563   8.656
  149   2HO*    A  16          2HO*        A  16  23.951 -10.815   7.440
  150    H1*    A  16           H1*        A  16  25.163 -12.164   8.642
  151    H8     A  16           H8         A  16  28.321 -11.428  10.599
  152   1H6     A  16          1H6         A  16  26.481 -11.500  14.780
  153   2H6     A  16          2H6         A  16  24.872 -11.326  15.479
  154    H2     A  16           H2         A  16  22.109 -10.826  11.988
  155   1H5*    C  17          1H5*        C  17  24.594  -8.457   6.102
  156   2H5*    C  17          2H5*        C  17  24.213  -6.762   5.815
  157    H4*    C  17           H4*        C  17  22.870  -7.947   7.625
  158    H3*    C  17           H3*        C  17  24.344  -5.369   8.252
  159    H2*    C  17           H2*        C  17  23.927  -5.577  10.464
  160   2HO*    C  17          2HO*        C  17  21.491  -6.394   9.467
  161    H1*    C  17           H1*        C  17  23.065  -8.116  10.404
  162   1H4     C  17          1H4         C  17  27.700  -8.806  14.780
  163   2H4     C  17          2H4         C  17  26.209  -8.428  15.560
  164    H5     C  17           H5         C  17  28.021  -8.495  12.081
  165    H6     C  17           H6         C  17  26.718  -8.031  10.147
  166   1H5*    U  18          1H5*        U  18  19.245  -2.748  10.276
  167   2H5*    U  18          2H5*        U  18  20.150  -1.919   9.120
  168    H4*    U  18           H4*        U  18  20.493  -1.624  11.699
  169    H3*    U  18           H3*        U  18  22.349  -1.301   9.573
  170    H2*    U  18           H2*        U  18  22.898  -3.656  10.174
  171   2HO*    U  18          2HO*        U  18  24.717  -3.248   9.661
  172    H1*    U  18           H1*        U  18  22.589  -2.378  12.971
  173    H3     U  18           H3         U  18  24.358  -4.561  16.215
  174    H5     U  18           H5         U  18  27.088  -4.428  12.999
  175    H6     U  18           H6         U  18  25.364  -3.835  11.558
  176   1H5*    U  19          1H5*        U  19  18.001   0.122  10.888
  177   2H5*    U  19          2H5*        U  19  18.738   1.667  11.139
  178    H4*    U  19           H4*        U  19  17.387  -0.053  13.199
  179    H3*    U  19           H3*        U  19  17.852   2.671  13.300
  180    H2*    U  19           H2*        U  19  20.337   2.198  14.390
  181   2HO*    U  19          2HO*        U  19  18.334   2.345  16.471
  182    H1*    U  19           H1*        U  19  18.616   0.267  15.861
  183    H3     U  19           H3         U  19  22.023  -0.392  18.830
  184    H5     U  19           H5         U  19  23.827  -0.708  15.017
  185    H6     U  19           H6         U  19  21.753  -0.206  14.049
  186   1H5*    A  20          1H5*        A  20  14.318   0.463  11.932
  187   2H5*    A  20          2H5*        A  20  13.073  -0.145  13.020
  188    H4*    A  20           H4*        A  20  14.457  -1.598  11.092
  189    H3*    A  20           H3*        A  20  12.565  -2.313  12.952
  190    H2*    A  20           H2*        A  20  13.820  -3.704  14.463
  191   2HO*    A  20          2HO*        A  20  14.863  -5.575  13.165
  192    H1*    A  20           H1*        A  20  16.222  -3.942  12.665
  193    H8     A  20           H8         A  20  14.873  -2.765  16.151
  194   1H6     A  20          1H6         A  20  18.871  -3.284  18.688
  195   2H6     A  20          2H6         A  20  20.534  -3.616  18.281
  196    H2     A  20           H2         A  20  20.670  -3.975  13.768
  197   1H5*    A  21          1H5*        A  21  13.267  -6.201   8.566
  198   2H5*    A  21          2H5*        A  21  11.749  -6.641   9.357
  199    H4*    A  21           H4*        A  21  13.082  -8.635   8.475
  200    H3*    A  21           H3*        A  21  12.163  -8.355  11.294
  201    H2*    A  21           H2*        A  21  13.851  -9.587  12.284
  202   2HO*    A  21          2HO*        A  21  14.133 -11.266  10.082
  203    H1*    A  21           H1*        A  21  15.618 -10.036  10.222
  204    H8     A  21           H8         A  21  14.651  -7.514  12.921
  205   1H6     A  21          1H6         A  21  20.815  -6.643  13.134
  206   2H6     A  21          2H6         A  21  19.352  -6.373  14.033
  207    H2     A  21           H2         A  21  19.890  -9.457   9.934
  208   1H5*    A  22          1H5*        A  22  12.365 -13.858   8.075
  209   2H5*    A  22          2H5*        A  22  13.675 -14.027   9.220
  210    H4*    A  22           H4*        A  22  13.666 -12.167   6.771
  211    H3*    A  22           H3*        A  22  14.828 -14.846   7.443
  212    H2*    A  22           H2*        A  22  16.916 -14.173   7.628
  213   2HO*    A  22          2HO*        A  22  17.817 -13.014   5.702
  214    H1*    A  22           H1*        A  22  16.507 -11.406   6.664
  215    H8     A  22           H8         A  22  16.838 -12.855  10.270
  216   1H6     A  22          1H6         A  22  21.609 -12.255  10.748
  217   2H6     A  22          2H6         A  22  22.821 -11.494   9.741
  218    H2     A  22           H2         A  22  20.950 -10.048   6.178
  219   1H5*    A  23          1H5*        A  23  17.363 -14.068   3.797
  220   2H5*    A  23          2H5*        A  23  16.942 -15.500   2.839
  221    H4*    A  23           H4*        A  23  19.245 -15.637   2.800
  222    H3*    A  23           H3*        A  23  18.605 -16.972   5.500
  223    H2*    A  23           H2*        A  23  21.115 -17.524   5.565
  224   2HO*    A  23          2HO*        A  23  21.331 -17.933   3.423
  225    H1*    A  23           H1*        A  23  21.784 -14.974   4.747
  226    H8     A  23           H8         A  23  18.856 -15.167   7.326
  227   1H6     A  23          1H6         A  23  21.554 -14.133  11.278
  228   2H6     A  23          2H6         A  23  23.234 -13.706  11.447
  229    H2     A  23           H2         A  23  25.114 -14.064   7.360
  230   1H5*    A  24          1H5*        A  24  22.151 -20.931   3.782
  231   2H5*    A  24          2H5*        A  24  20.952 -21.663   4.865
  232    H4*    A  24           H4*        A  24  23.387 -21.639   5.811
  233    H3*    A  24           H3*        A  24  21.026 -21.058   7.389
  234    H2*    A  24           H2*        A  24  22.190 -19.736   8.709
  235   2HO*    A  24          2HO*        A  24  22.847 -21.713   9.684
  236    H1*    A  24           H1*        A  24  24.833 -20.140   7.361
  237    H8     A  24           H8         A  24  22.331 -17.557   8.945
  238   1H6     A  24          1H6         A  24  25.589 -14.350  10.290
  239   2H6     A  24          2H6         A  24  27.263 -14.077   9.863
  240    H2     A  24           H2         A  24  28.351 -17.175   6.852
  241   1H5*    C  25          1H5*        C  25  19.293 -22.943   8.694
  242   2H5*    C  25          2H5*        C  25  21.028 -22.698   8.981
  243    H4*    C  25           H4*        C  25  19.908 -23.594  10.995
  244    H3*    C  25           H3*        C  25  21.796 -25.508   9.594
  245    H2*    C  25           H2*        C  25  21.504 -26.921  11.499
  246   2HO*    C  25          2HO*        C  25  21.827 -25.055  12.929
  247    H1*    C  25           H1*        C  25  18.848 -26.201  11.950
  248   1H4     C  25          1H4         C  25  18.556 -32.090   9.572
  249   2H4     C  25          2H4         C  25  18.993 -31.494   7.986
  250    H5     C  25           H5         C  25  19.491 -29.158   7.542
  251    H6     C  25           H6         C  25  19.953 -26.996   8.591
  252   1H5*    A  26          1H5*        A  26  26.602 -24.855  11.099
  253   2H5*    A  26          2H5*        A  26  26.403 -23.156  11.488
  254    H4*    A  26           H4*        A  26  27.254 -24.383   8.859
  255    H3*    A  26           H3*        A  26  28.586 -23.061  11.096
  256    H2*    A  26           H2*        A  26  29.203 -21.084  10.170
  257   2HO*    A  26          2HO*        A  26  30.672 -21.805   8.758
  258    H1*    A  26           H1*        A  26  27.677 -20.798   7.889
  259    H8     A  26           H8         A  26  25.167 -21.104  10.593
  260   1H6     A  26          1H6         A  26  25.933 -16.955  13.048
  261   2H6     A  26          2H6         A  26  27.114 -15.682  12.853
  262    H2     A  26           H2         A  26  29.909 -16.995   9.572
  263   1H5*    C  27          1H5*        C  27  31.934 -23.351   9.176
  264   2H5*    C  27          2H5*        C  27  33.271 -24.394   9.688
  265    H4*    C  27           H4*        C  27  34.012 -22.043   9.695
  266    H3*    C  27           H3*        C  27  33.570 -22.654  12.590
  267    H2*    C  27           H2*        C  27  34.289 -20.458  12.939
  268   2HO*    C  27          2HO*        C  27  36.276 -20.781  11.898
  269    H1*    C  27           H1*        C  27  33.624 -19.598  10.250
  270   1H4     C  27          1H4         C  27  30.765 -15.159  13.591
  271   2H4     C  27          2H4         C  27  29.399 -16.207  13.883
  272    H5     C  27           H5         C  27  29.511 -18.442  13.622
  273    H6     C  27           H6         C  27  30.533 -20.324  12.233
  274   1H5*    C  28          1H5*        C  28  37.860 -23.221  15.121
  275   2H5*    C  28          2H5*        C  28  36.304 -22.505  15.576
  276    H4*    C  28           H4*        C  28  38.927 -21.052  15.055
  277    H3*    C  28           H3*        C  28  37.436 -21.936  17.427
  278    H2*    C  28           H2*        C  28  36.907 -19.943  18.380
  279   2HO*    C  28          2HO*        C  28  38.941 -19.238  18.787
  280    H1*    C  28           H1*        C  28  37.040 -18.103  16.269
  281   1H4     C  28          1H4         C  28  30.893 -20.387  17.338
  282   2H4     C  28          2H4         C  28  31.096 -19.071  18.477
  283    H5     C  28           H5         C  28  32.517 -21.163  15.952
  284    H6     C  28           H6         C  28  34.843 -20.882  15.027
  285   1H5*    G  29          1H5*        G  29  41.043 -20.862  19.557
  286   2H5*    G  29          2H5*        G  29  41.753 -22.076  20.630
  287    H4*    G  29           H4*        G  29  40.683 -20.014  21.733
  288    H3*    G  29           H3*        G  29  39.270 -22.605  22.492
  289    H2*    G  29           H2*        G  29  37.896 -21.307  23.917
  290   2HO*    G  29          2HO*        G  29  38.328 -19.114  24.300
  291    H1*    G  29           H1*        G  29  37.541 -19.240  22.031
  292    H8     G  29           H8         G  29  37.358 -22.314  19.827
  293    H1     G  29           H1         G  29  31.670 -20.300  22.051
  294   1H2     G  29          1H2         G  29  33.771 -18.621  24.546
  295   2H2     G  29          2H2         G  29  32.147 -18.921  23.971
  296   1H5*    G  30          1H5*        G  30  40.892 -21.078  25.832
  297   2H5*    G  30          2H5*        G  30  41.197 -21.901  27.375
  298    H4*    G  30           H4*        G  30  39.074 -20.503  27.183
  299    H3*    G  30           H3*        G  30  38.926 -23.443  27.864
  300    H2*    G  30           H2*        G  30  36.600 -23.387  27.843
  301   2HO*    G  30          2HO*        G  30  35.474 -21.377  28.220
  302    H1*    G  30           H1*        G  30  36.413 -20.982  26.246
  303    H8     G  30           H8         G  30  37.662 -23.491  23.708
  304    H1     G  30           H1         G  30  31.311 -23.244  24.162
  305   1H2     G  30          1H2         G  30  31.756 -21.764  27.303
  306   2H2     G  30          2H2         G  30  30.642 -22.327  26.070
  Start of MODEL   12
    1   1H5*    A   3          1H5*        A   3  25.677  -3.473  26.649
    2   2H5*    A   3          2H5*        A   3  23.995  -3.782  27.205
    3    H4*    A   3           H4*        A   3  23.836  -2.188  25.476
    4    H3*    A   3           H3*        A   3  23.498  -4.787  23.798
    5    H2*    A   3           H2*        A   3  23.054  -3.387  21.993
    6   2HO*    A   3          2HO*        A   3  22.444  -1.316  22.145
    7    H1*    A   3           H1*        A   3  25.336  -1.788  22.490
    8    H8     A   3           H8         A   3  26.853  -4.679  23.059
    9   1H6     A   3          1H6         A   3  27.812  -5.892  18.447
   10   2H6     A   3          2H6         A   3  27.040  -5.454  16.913
   11    H2     A   3           H2         A   3  23.650  -2.712  17.936
   12   1H5*    G   4          1H5*        G   4  20.485  -3.709  23.113
   13   2H5*    G   4          2H5*        G   4  18.814  -4.244  23.378
   14    H4*    G   4           H4*        G   4  19.055  -4.066  21.058
   15    H3*    G   4           H3*        G   4  20.146  -7.031  21.254
   16    H2*    G   4           H2*        G   4  20.272  -6.974  18.839
   17   2HO*    G   4          2HO*        G   4  18.523  -4.746  19.222
   18    H1*    G   4           H1*        G   4  21.234  -4.441  18.778
   19    H8     G   4           H8         G   4  23.386  -5.876  21.332
   20    H1     G   4           H1         G   4  24.634  -7.205  15.147
   21   1H2     G   4          1H2         G   4  21.178  -6.178  14.984
   22   2H2     G   4          2H2         G   4  22.574  -6.723  14.101
   23   1H5*    U   5          1H5*        U   5  16.580  -7.371  19.053
   24   2H5*    U   5          2H5*        U   5  15.420  -8.640  19.471
   25    H4*    U   5           H4*        U   5  15.874  -8.776  17.096
   26    H3*    U   5           H3*        U   5  17.587 -10.976  18.394
   27    H2*    U   5           H2*        U   5  18.069 -11.639  16.154
   28   2HO*    U   5          2HO*        U   5  17.082 -10.536  14.396
   29    H1*    U   5           H1*        U   5  18.440  -9.143  15.247
   30    H3     U   5           H3         U   5  22.631 -10.346  15.005
   31    H5     U   5           H5         U   5  22.171  -9.047  18.942
   32    H6     U   5           H6         U   5  19.714  -9.089  18.595
   33   1H5*    G   6          1H5*        G   6  15.722 -12.669  15.421
   34   2H5*    G   6          2H5*        G   6  15.161 -14.348  15.580
   35    H4*    G   6           H4*        G   6  16.707 -14.051  13.745
   36    H3*    G   6           H3*        G   6  17.899 -15.592  16.036
   37    H2*    G   6           H2*        G   6  19.648 -16.158  14.457
   38   2HO*    G   6          2HO*        G   6  19.451 -15.349  12.277
   39    H1*    G   6           H1*        G   6  19.733 -13.681  13.415
   40    H8     G   6           H8         G   6  19.769 -13.143  17.177
   41    H1     G   6           H1         G   6  25.486 -13.625  14.347
   42   1H2     G   6          1H2         G   6  23.662 -15.083  11.704
   43   2H2     G   6          2H2         G   6  25.225 -14.591  12.324
   44   1H5*    G   7          1H5*        G   7  19.125 -18.998  17.321
   45   2H5*    G   7          2H5*        G   7  19.063 -17.263  16.872
   46    H4*    G   7           H4*        G   7  19.711 -18.941  14.594
   47    H3*    G   7           H3*        G   7  21.391 -19.385  17.096
   48    H2*    G   7           H2*        G   7  23.398 -19.196  15.597
   49   2HO*    G   7          2HO*        G   7  23.171 -19.222  13.470
   50    H1*    G   7           H1*        G   7  22.744 -17.109  14.514
   51    H8     G   7           H8         G   7  21.073 -16.197  17.680
   52    H1     G   7           H1         G   7  27.464 -15.319  17.671
   53   1H2     G   7          1H2         G   7  27.191 -17.538  14.828
   54   2H2     G   7          2H2         G   7  28.220 -16.578  15.869
   55   1H5*   CH   8          1H5*       CH   8  22.094 -22.863  14.725
   56   2H5*   CH   8          2H5*       CH   8  22.535 -24.432  15.350
   57    H4*   CH   8           H4*       CH   8  24.517 -23.313  14.124
   58    H3*   CH   8           H3*       CH   8  24.862 -23.076  17.296
   59    H2*   CH   8           H2*       CH   8  27.206 -22.426  16.536
   60   2HO*   CH   8          2HO*       CH   8  26.246 -23.002  13.870
   61    H1*   CH   8           H1*       CH   8  26.497 -21.024  14.733
   62    HN3   CH   8           HN3       CH   8  28.951 -18.854  17.767
   63   1H4    CH   8          1H4        CH   8  28.732 -17.599  19.157
   64   2H4    CH   8          2H4        CH   8  27.362 -17.018  20.058
   65    H5    CH   8           H5        CH   8  24.999 -18.380  19.244
   66    H6    CH   8           H6        CH   8  24.234 -19.974  17.477
   67   1H5*    G   9          1H5*        G   9  21.759 -25.596  17.428
   68   2H5*    G   9          2H5*        G   9  22.234 -23.924  17.820
   69    H4*    G   9           H4*        G   9  20.710 -24.956  19.487
   70    H3*    G   9           H3*        G   9  23.335 -23.809  20.059
   71    H2*    G   9           H2*        G   9  23.907 -25.004  21.994
   72   2HO*    G   9          2HO*        G   9  22.047 -24.355  23.095
   73    H1*    G   9           H1*        G   9  22.672 -27.375  21.698
   74    H8     G   9           H8         G   9  25.795 -26.013  21.488
   75    H1     G   9           H1         G   9  25.430 -30.254  16.750
   76   1H2     G   9          1H2         G   9  21.979 -29.945  17.129
   77   2H2     G   9          2H2         G   9  23.308 -30.702  16.280
   78   1H5*    C  10          1H5*        C  10  20.884 -22.055  23.987
   79   2H5*    C  10          2H5*        C  10  21.070 -20.308  23.510
   80    H4*    C  10           H4*        C  10  21.810 -20.866  25.946
   81    H3*    C  10           H3*        C  10  23.923 -19.527  24.135
   82    H2*    C  10           H2*        C  10  25.406 -19.556  25.799
   83   2HO*    C  10          2HO*        C  10  24.930 -20.046  27.869
   84    H1*    C  10           H1*        C  10  25.124 -22.153  26.296
   85   1H4     C  10          1H4         C  10  27.849 -23.572  20.655
   86   2H4     C  10          2H4         C  10  29.201 -23.008  21.633
   87    H5     C  10           H5         C  10  25.531 -23.247  21.279
   88    H6     C  10           H6         C  10  24.067 -22.656  23.002
   89   1H5*    C  11          1H5*        C  11  23.319 -17.006  26.914
   90   2H5*    C  11          2H5*        C  11  23.328 -15.245  27.050
   91    H4*    C  11           H4*        C  11  25.563 -16.191  27.570
   92    H3*    C  11           H3*        C  11  25.494 -14.730  24.905
   93    H2*    C  11           H2*        C  11  27.853 -14.994  24.883
   94   2HO*    C  11          2HO*        C  11  28.989 -15.674  26.723
   95    H1*    C  11           H1*        C  11  27.726 -17.522  26.097
   96   1H4     C  11          1H4         C  11  27.823 -19.996  20.317
   97   2H4     C  11          2H4         C  11  29.447 -19.733  20.744
   98    H5     C  11           H5         C  11  25.902 -19.058  21.528
   99    H6     C  11           H6         C  11  25.386 -17.583  23.277
  100   1H5*    G  12          1H5*        G  12  28.455 -12.776  26.729
  101   2H5*    G  12          2H5*        G  12  28.484 -11.020  26.379
  102    H4*    G  12           H4*        G  12  30.632 -12.155  25.775
  103    H3*    G  12           H3*        G  12  29.136 -11.474  23.171
  104    H2*    G  12           H2*        G  12  31.155 -11.987  22.162
  105   2HO*    G  12          2HO*        G  12  32.965 -12.745  23.493
  106    H1*    G  12           H1*        G  12  31.660 -14.098  23.540
  107    H8     G  12           H8         G  12  28.089 -14.579  22.736
  108    H1     G  12           H1         G  12  32.517 -17.127  18.831
  109   1H2     G  12          1H2         G  12  34.731 -15.086  20.590
  110   2H2     G  12          2H2         G  12  34.515 -16.302  19.340
  111   1H5*    A  13          1H5*        A  13  32.120  -8.054  20.827
  112   2H5*    A  13          2H5*        A  13  31.479  -9.465  19.973
  113    H4*    A  13           H4*        A  13  33.799  -9.234  19.234
  114    H3*    A  13           H3*        A  13  33.065 -11.492  20.978
  115    H2*    A  13           H2*        A  13  34.860 -11.288  22.303
  116   2HO*    A  13          2HO*        A  13  35.869 -12.287  19.848
  117    H1*    A  13           H1*        A  13  36.148  -9.600  20.111
  118    H8     A  13           H8         A  13  35.628  -8.402  23.632
  119   1H6     A  13          1H6         A  13  40.149  -8.586  25.322
  120   2H6     A  13          2H6         A  13  41.642  -9.229  24.675
  121    H2     A  13           H2         A  13  40.660 -11.024  20.672
  122   1H5*    C  14          1H5*        C  14  34.953 -13.584  18.515
  123   2H5*    C  14          2H5*        C  14  36.440 -13.928  17.761
  124    H4*    C  14           H4*        C  14  35.602 -15.486  16.453
  125    H3*    C  14           H3*        C  14  33.806 -13.273  15.499
  126    H2*    C  14           H2*        C  14  32.072 -14.853  14.854
  127   2HO*    C  14          2HO*        C  14  32.567 -16.963  14.448
  128    H1*    C  14           H1*        C  14  32.464 -16.687  16.682
  129   1H4     C  14          1H4         C  14  28.677 -13.006  20.385
  130   2H4     C  14          2H4         C  14  27.568 -13.929  19.398
  131    H5     C  14           H5         C  14  31.066 -12.914  19.903
  132    H6     C  14           H6         C  14  32.763 -13.706  18.369
  133   1H5*    C  15          1H5*        C  15  34.213 -14.259  10.629
  134   2H5*    C  15          2H5*        C  15  33.478 -12.681  10.382
  135    H4*    C  15           H4*        C  15  32.343 -15.188   9.877
  136    H3*    C  15           H3*        C  15  30.927 -12.533  10.220
  137    H2*    C  15           H2*        C  15  29.002 -13.664   9.669
  138   2HO*    C  15          2HO*        C  15  29.090 -15.470   8.705
  139    H1*    C  15           H1*        C  15  29.348 -15.837  11.323
  140   1H4     C  15          1H4         C  15  28.204 -12.158  16.605
  141   2H4     C  15          2H4         C  15  26.608 -12.650  16.115
  142    H5     C  15           H5         C  15  30.065 -12.454  15.439
  143    H6     C  15           H6         C  15  31.118 -13.267  13.380
  144   1H5*    A  16          1H5*        A  16  28.846 -13.720   6.655
  145   2H5*    A  16          2H5*        A  16  28.409 -12.247   5.976
  146    H4*    A  16           H4*        A  16  26.502 -13.815   6.657
  147    H3*    A  16           H3*        A  16  26.634 -10.906   7.263
  148    H2*    A  16           H2*        A  16  24.705 -11.155   8.960
  149   2HO*    A  16          2HO*        A  16  23.226 -12.761   8.661
  150    H1*    A  16           H1*        A  16  25.013 -13.643   9.507
  151    H8     A  16           H8         A  16  28.191 -11.900  10.699
  152   1H6     A  16          1H6         A  16  26.636 -10.469  14.948
  153   2H6     A  16          2H6         A  16  25.038 -10.191  15.662
  154    H2     A  16           H2         A  16  22.079 -11.296  12.462
  155   1H5*    C  17          1H5*        C  17  23.479  -7.957   5.687
  156   2H5*    C  17          2H5*        C  17  25.006  -8.475   6.389
  157    H4*    C  17           H4*        C  17  22.370  -8.610   7.891
  158    H3*    C  17           H3*        C  17  24.350  -6.304   7.943
  159    H2*    C  17           H2*        C  17  23.553  -5.864  10.108
  160   2HO*    C  17          2HO*        C  17  21.635  -6.915  10.872
  161    H1*    C  17           H1*        C  17  22.919  -8.484  10.605
  162   1H4     C  17          1H4         C  17  28.092  -8.344  14.404
  163   2H4     C  17          2H4         C  17  26.731  -7.788  15.309
  164    H5     C  17           H5         C  17  28.014  -8.567  11.734
  165    H6     C  17           H6         C  17  26.488  -8.551   9.962
  166   1H5*    U  18          1H5*        U  18  21.083  -1.806   8.571
  167   2H5*    U  18          2H5*        U  18  22.784  -2.217   8.676
  168    H4*    U  18           H4*        U  18  20.641  -3.137  10.638
  169    H3*    U  18           H3*        U  18  21.953  -0.616  10.631
  170    H2*    U  18           H2*        U  18  23.615  -1.265  12.368
  171   2HO*    U  18          2HO*        U  18  21.014  -1.205  13.354
  172    H1*    U  18           H1*        U  18  21.880  -3.359  13.091
  173    H3     U  18           H3         U  18  25.149  -4.078  16.092
  174    H5     U  18           H5         U  18  26.472  -5.417  12.350
  175    H6     U  18           H6         U  18  24.767  -4.171  11.346
  176   1H5*    U  19          1H5*        U  19  17.752  -1.864  11.964
  177   2H5*    U  19          2H5*        U  19  16.501  -0.719  11.452
  178    H4*    U  19           H4*        U  19  15.882  -1.655  13.723
  179    H3*    U  19           H3*        U  19  15.783   1.136  13.430
  180    H2*    U  19           H2*        U  19  18.298   1.326  14.247
  181   2HO*    U  19          2HO*        U  19  17.798   2.734  15.814
  182    H1*    U  19           H1*        U  19  17.105  -0.336  16.427
  183    H3     U  19           H3         U  19  20.701  -0.104  19.134
  184    H5     U  19           H5         U  19  22.386   0.049  15.253
  185    H6     U  19           H6         U  19  20.219  -0.004  14.386
  186   1H5*    A  20          1H5*        A  20  13.599  -1.243  11.962
  187   2H5*    A  20          2H5*        A  20  12.233  -1.959  12.845
  188    H4*    A  20           H4*        A  20  13.388  -3.558  11.199
  189    H3*    A  20           H3*        A  20  13.207  -4.128  14.179
  190    H2*    A  20           H2*        A  20  14.426  -5.959  14.121
  191   2HO*    A  20          2HO*        A  20  14.697  -7.206  12.198
  192    H1*    A  20           H1*        A  20  15.987  -5.376  11.833
  193    H8     A  20           H8         A  20  15.326  -4.546  15.549
  194   1H6     A  20          1H6         A  20  19.834  -4.545  17.148
  195   2H6     A  20          2H6         A  20  21.389  -4.609  16.354
  196    H2     A  20           H2         A  20  20.652  -4.977  11.990
  197   1H5*    A  21          1H5*        A  21  12.782  -6.861   9.100
  198   2H5*    A  21          2H5*        A  21  11.178  -7.585   9.329
  199    H4*    A  21           H4*        A  21  12.727  -9.391   8.872
  200    H3*    A  21           H3*        A  21  11.695  -9.152  11.690
  201    H2*    A  21           H2*        A  21  13.369 -10.381  12.663
  202   2HO*    A  21          2HO*        A  21  13.743 -11.916  10.357
  203    H1*    A  21           H1*        A  21  15.190 -10.662  10.603
  204    H8     A  21           H8         A  21  14.943  -9.644  14.010
  205   1H6     A  21          1H6         A  21  20.486  -6.968  13.237
  206   2H6     A  21          2H6         A  21  19.356  -7.548  14.436
  207    H2     A  21           H2         A  21  18.758  -7.806   9.208
  208   1H5*    A  22          1H5*        A  22  12.055 -14.649   8.459
  209   2H5*    A  22          2H5*        A  22  13.442 -14.668   9.541
  210    H4*    A  22           H4*        A  22  13.124 -12.889   7.052
  211    H3*    A  22           H3*        A  22  14.792 -15.266   7.905
  212    H2*    A  22           H2*        A  22  16.763 -14.323   7.466
  213   2HO*    A  22          2HO*        A  22  17.000 -12.975   5.525
  214    H1*    A  22           H1*        A  22  15.864 -11.624   6.879
  215    H8     A  22           H8         A  22  16.179 -12.649  10.543
  216   1H6     A  22          1H6         A  22  22.033 -10.833  10.236
  217   2H6     A  22          2H6         A  22  20.766 -11.441  11.277
  218    H2     A  22           H2         A  22  20.453 -10.601   6.245
  219   1H5*    A  23          1H5*        A  23  16.456 -15.325   4.505
  220   2H5*    A  23          2H5*        A  23  16.138 -16.830   3.624
  221    H4*    A  23           H4*        A  23  18.433 -16.764   3.571
  222    H3*    A  23           H3*        A  23  17.946 -18.053   6.334
  223    H2*    A  23           H2*        A  23  20.521 -18.427   6.298
  224   2HO*    A  23          2HO*        A  23  20.333 -17.182   3.758
  225    H1*    A  23           H1*        A  23  20.922 -15.853   5.418
  226    H8     A  23           H8         A  23  18.080 -15.970   8.090
  227   1H6     A  23          1H6         A  23  22.602 -13.968  11.801
  228   2H6     A  23          2H6         A  23  20.889 -14.191  11.716
  229    H2     A  23           H2         A  23  24.357 -15.078   7.846
  230   1H5*    A  24          1H5*        A  24  19.932 -22.683   5.839
  231   2H5*    A  24          2H5*        A  24  20.356 -22.147   7.492
  232    H4*    A  24           H4*        A  24  21.686 -21.217   4.894
  233    H3*    A  24           H3*        A  24  22.260 -23.455   6.693
  234    H2*    A  24           H2*        A  24  23.792 -22.337   7.860
  235   2HO*    A  24          2HO*        A  24  25.817 -22.723   7.171
  236    H1*    A  24           H1*        A  24  23.974 -20.243   5.635
  237    H8     A  24           H8         A  24  22.834 -20.186   9.112
  238   1H6     A  24          1H6         A  24  25.566 -16.408  10.652
  239   2H6     A  24          2H6         A  24  27.026 -15.686  10.015
  240    H2     A  24           H2         A  24  27.996 -17.878   6.189
  241   1H5*    C  25          1H5*        C  25  22.916 -25.527   6.090
  242   2H5*    C  25          2H5*        C  25  23.612 -25.033   7.647
  243    H4*    C  25           H4*        C  25  23.193 -27.489   7.327
  244    H3*    C  25           H3*        C  25  25.980 -26.554   8.005
  245    H2*    C  25           H2*        C  25  26.503 -28.877   8.311
  246   2HO*    C  25          2HO*        C  25  24.601 -29.304   9.502
  247    H1*    C  25           H1*        C  25  24.880 -29.784   6.223
  248   1H4     C  25          1H4         C  25  31.079 -28.626   4.141
  249   2H4     C  25          2H4         C  25  30.855 -30.360   4.116
  250    H5     C  25           H5         C  25  29.374 -27.082   4.874
  251    H6     C  25           H6         C  25  27.120 -26.887   5.777
  252   1H5*    A  26          1H5*        A  26  26.376 -24.110  11.101
  253   2H5*    A  26          2H5*        A  26  25.318 -24.618   9.776
  254    H4*    A  26           H4*        A  26  27.488 -24.742   8.368
  255    H3*    A  26           H3*        A  26  28.478 -23.495  10.874
  256    H2*    A  26           H2*        A  26  29.263 -21.552   9.971
  257   2HO*    A  26          2HO*        A  26  30.704 -22.349   8.531
  258    H1*    A  26           H1*        A  26  27.654 -21.245   7.712
  259    H8     A  26           H8         A  26  25.090 -21.471  10.171
  260   1H6     A  26          1H6         A  26  27.238 -16.445  13.109
  261   2H6     A  26          2H6         A  26  25.956 -17.629  13.106
  262    H2     A  26           H2         A  26  30.212 -17.669   9.979
  263   1H5*    C  27          1H5*        C  27  31.991 -23.696   9.162
  264   2H5*    C  27          2H5*        C  27  33.357 -24.631   9.795
  265    H4*    C  27           H4*        C  27  33.975 -22.242   9.705
  266    H3*    C  27           H3*        C  27  33.370 -22.703  12.598
  267    H2*    C  27           H2*        C  27  34.105 -20.484  12.851
  268   2HO*    C  27          2HO*        C  27  36.081 -20.786  11.814
  269    H1*    C  27           H1*        C  27  33.382 -19.768  10.137
  270   1H4     C  27          1H4         C  27  29.000 -16.660  13.897
  271   2H4     C  27          2H4         C  27  30.246 -15.510  13.466
  272    H5     C  27           H5         C  27  29.234 -18.917  13.612
  273    H6     C  27           H6         C  27  30.365 -20.746  12.213
  274   1H5*    C  28          1H5*        C  28  37.890 -22.772  15.139
  275   2H5*    C  28          2H5*        C  28  36.344 -22.081  15.655
  276    H4*    C  28           H4*        C  28  38.839 -20.586  14.761
  277    H3*    C  28           H3*        C  28  37.639 -21.313  17.333
  278    H2*    C  28           H2*        C  28  37.019 -19.282  18.142
  279   2HO*    C  28          2HO*        C  28  38.524 -17.842  18.299
  280    H1*    C  28           H1*        C  28  36.818 -17.625  15.915
  281   1H4     C  28          1H4         C  28  30.996 -20.456  17.443
  282   2H4     C  28          2H4         C  28  31.106 -19.050  18.486
  283    H5     C  28           H5         C  28  32.651 -21.174  16.034
  284    H6     C  28           H6         C  28  34.852 -20.640  14.916
  285   1H5*    G  29          1H5*        G  29  40.222 -19.394  19.241
  286   2H5*    G  29          2H5*        G  29  41.103 -20.187  20.556
  287    H4*    G  29           H4*        G  29  39.454 -18.442  21.284
  288    H3*    G  29           H3*        G  29  38.498 -21.206  22.113
  289    H2*    G  29           H2*        G  29  36.803 -20.091  23.299
  290   2HO*    G  29          2HO*        G  29  38.701 -18.132  23.458
  291    H1*    G  29           H1*        G  29  36.569 -17.983  21.359
  292    H8     G  29           H8         G  29  36.044 -20.974  19.160
  293    H1     G  29           H1         G  29  30.685 -18.884  22.046
  294   1H2     G  29          1H2         G  29  33.064 -17.364  24.384
  295   2H2     G  29          2H2         G  29  31.383 -17.600  23.960
  296   1H5*    G  30          1H5*        G  30  39.268 -19.262  25.325
  297   2H5*    G  30          2H5*        G  30  39.448 -19.896  26.971
  298    H4*    G  30           H4*        G  30  37.219 -18.846  26.311
  299    H3*    G  30           H3*        G  30  37.323 -21.686  27.349
  300    H2*    G  30           H2*        G  30  35.041 -21.907  27.002
  301   2HO*    G  30          2HO*        G  30  33.659 -20.024  27.141
  302    H1*    G  30           H1*        G  30  34.912 -19.506  25.357
  303    H8     G  30           H8         G  30  35.966 -22.056  22.764
  304    H1     G  30           H1         G  30  29.656 -21.894  23.793
  305   1H2     G  30          1H2         G  30  30.424 -20.327  26.831
  306   2H2     G  30          2H2         G  30  29.186 -20.926  25.744
  Start of MODEL   13
    1   1H5*    A   3          1H5*        A   3  23.228  -3.045  20.707
    2   2H5*    A   3          2H5*        A   3  22.933  -1.297  21.027
    3    H4*    A   3           H4*        A   3  21.757  -2.388  22.785
    4    H3*    A   3           H3*        A   3  24.034  -1.749  24.360
    5    H2*    A   3           H2*        A   3  25.488  -3.426  23.648
    6   2HO*    A   3          2HO*        A   3  25.366  -5.238  24.975
    7    H1*    A   3           H1*        A   3  23.555  -5.441  23.317
    8    H8     A   3           H8         A   3  26.494  -5.910  23.009
    9   1H6     A   3          1H6         A   3  27.859  -6.631  18.380
   10   2H6     A   3          2H6         A   3  27.211  -6.038  16.838
   11    H2     A   3           H2         A   3  23.658  -3.520  17.834
   12   1H5*    G   4          1H5*        G   4  20.102  -3.707  23.396
   13   2H5*    G   4          2H5*        G   4  19.274  -5.068  24.120
   14    H4*    G   4           H4*        G   4  19.153  -4.450  21.536
   15    H3*    G   4           H3*        G   4  20.175  -7.500  21.607
   16    H2*    G   4           H2*        G   4  19.889  -7.385  19.238
   17   2HO*    G   4          2HO*        G   4  19.108  -5.435  18.286
   18    H1*    G   4           H1*        G   4  21.094  -5.001  19.049
   19    H8     G   4           H8         G   4  23.272  -6.640  21.497
   20    H1     G   4           H1         G   4  24.321  -7.592  15.235
   21   1H2     G   4          1H2         G   4  20.933  -6.339  15.214
   22   2H2     G   4          2H2         G   4  22.277  -6.902  14.266
   23   1H5*    U   5          1H5*        U   5  15.693  -8.508  20.143
   24   2H5*    U   5          2H5*        U   5  15.622 -10.227  20.334
   25    H4*    U   5           H4*        U   5  15.310  -8.943  17.959
   26    H3*    U   5           H3*        U   5  17.047 -11.528  17.807
   27    H2*    U   5           H2*        U   5  17.055 -11.057  15.466
   28   2HO*    U   5          2HO*        U   5  15.044  -9.277  16.234
   29    H1*    U   5           H1*        U   5  17.924  -8.667  15.727
   30    H3     U   5           H3         U   5  21.909 -10.372  15.038
   31    H5     U   5           H5         U   5  21.459  -9.583  19.182
   32    H6     U   5           H6         U   5  19.054  -9.377  18.819
   33   1H5*    G   6          1H5*        G   6  16.106 -13.239  13.392
   34   2H5*    G   6          2H5*        G   6  15.160 -14.382  14.463
   35    H4*    G   6           H4*        G   6  17.199 -15.295  14.157
   36    H3*    G   6           H3*        G   6  16.371 -14.182  16.769
   37    H2*    G   6           H2*        G   6  18.171 -12.731  16.346
   38   2HO*    G   6          2HO*        G   6  18.170 -12.985  18.330
   39    H1*    G   6           H1*        G   6  19.585 -15.050  15.098
   40    H8     G   6           H8         G   6  20.274 -12.730  17.889
   41    H1     G   6           H1         G   6  25.580 -13.468  14.493
   42   1H2     G   6          1H2         G   6  23.653 -14.587  11.823
   43   2H2     G   6          2H2         G   6  25.236 -14.190  12.437
   44   1H5*    G   7          1H5*        G   7  19.494 -18.306  17.423
   45   2H5*    G   7          2H5*        G   7  19.112 -16.680  16.743
   46    H4*    G   7           H4*        G   7  19.890 -18.245  14.566
   47    H3*    G   7           H3*        G   7  21.521 -19.047  16.989
   48    H2*    G   7           H2*        G   7  23.591 -18.401  15.885
   49   2HO*    G   7          2HO*        G   7  21.957 -18.695  13.613
   50    H1*    G   7           H1*        G   7  22.907 -16.362  14.707
   51    H8     G   7           H8         G   7  21.089 -15.398  17.826
   52    H1     G   7           H1         G   7  27.581 -14.742  17.994
   53   1H2     G   7          1H2         G   7  27.267 -16.946  15.136
   54   2H2     G   7          2H2         G   7  28.321 -16.026  16.184
   55   1H5*   CH   8          1H5*       CH   8  23.037 -21.748  13.821
   56   2H5*   CH   8          2H5*       CH   8  23.257 -23.395  14.455
   57    H4*   CH   8           H4*       CH   8  25.465 -22.331  13.515
   58    H3*   CH   8           H3*       CH   8  25.053 -23.097  16.562
   59    H2*   CH   8           H2*       CH   8  27.376 -22.433  16.879
   60   2HO*   CH   8          2HO*       CH   8  27.572 -22.869  14.009
   61    H1*   CH   8           H1*       CH   8  27.484 -20.716  14.937
   62    HN3   CH   8           HN3       CH   8  29.432 -18.441  18.172
   63   1H4    CH   8          1H4        CH   8  27.046 -16.953  20.229
   64   2H4    CH   8          2H4        CH   8  28.734 -16.917  19.917
   65    H5    CH   8           H5        CH   8  25.371 -18.416  19.339
   66    H6    CH   8           H6        CH   8  24.908 -20.002  17.462
   67   1H5*    G   9          1H5*        G   9  21.949 -25.127  15.930
   68   2H5*    G   9          2H5*        G   9  22.738 -23.667  16.577
   69    H4*    G   9           H4*        G   9  21.012 -24.674  18.092
   70    H3*    G   9           H3*        G   9  23.793 -24.051  18.766
   71    H2*    G   9           H2*        G   9  24.271 -25.596  20.369
   72   2HO*    G   9          2HO*        G   9  22.335 -24.801  21.563
   73    H1*    G   9           H1*        G   9  22.682 -27.715  19.800
   74    H8     G   9           H8         G   9  23.551 -27.870  16.548
   75    H1     G   9           H1         G   9  29.071 -27.416  19.709
   76   1H2     G   9          1H2         G   9  28.710 -26.619  21.752
   77   2H2     G   9          2H2         G   9  27.111 -26.201  22.326
   78   1H5*    C  10          1H5*        C  10  21.974 -23.949  23.267
   79   2H5*    C  10          2H5*        C  10  20.946 -22.690  23.926
   80    H4*    C  10           H4*        C  10  22.839 -22.692  25.446
   81    H3*    C  10           H3*        C  10  24.207 -20.849  23.431
   82    H2*    C  10           H2*        C  10  25.704 -20.550  25.019
   83   2HO*    C  10          2HO*        C  10  23.692 -21.592  26.656
   84    H1*    C  10           H1*        C  10  25.844 -23.321  25.420
   85   1H4     C  10          1H4         C  10  29.173 -24.180  20.007
   86   2H4     C  10          2H4         C  10  30.413 -23.658  21.141
   87    H5     C  10           H5         C  10  26.822 -23.937  20.427
   88    H6     C  10           H6         C  10  25.207 -23.603  21.996
   89   1H5*    C  11          1H5*        C  11  23.374 -15.971  26.770
   90   2H5*    C  11          2H5*        C  11  23.244 -15.851  25.005
   91    H4*    C  11           H4*        C  11  25.633 -16.685  26.801
   92    H3*    C  11           H3*        C  11  26.022 -15.363  24.023
   93    H2*    C  11           H2*        C  11  28.203 -15.947  24.391
   94   2HO*    C  11          2HO*        C  11  29.052 -16.385  26.364
   95    H1*    C  11           H1*        C  11  27.593 -18.363  25.628
   96   1H4     C  11          1H4         C  11  28.199 -20.849  19.898
   97   2H4     C  11          2H4         C  11  29.781 -20.497  20.413
   98    H5     C  11           H5         C  11  26.125 -19.937  21.010
   99    H6     C  11           H6         C  11  25.496 -18.511  22.739
  100   1H5*    G  12          1H5*        G  12  27.971 -12.776  26.517
  101   2H5*    G  12          2H5*        G  12  27.835 -11.003  26.354
  102    H4*    G  12           H4*        G  12  30.199 -11.739  26.129
  103    H3*    G  12           H3*        G  12  29.091 -11.108  23.320
  104    H2*    G  12           H2*        G  12  31.145 -11.491  22.507
  105   2HO*    G  12          2HO*        G  12  31.977 -11.149  25.144
  106    H1*    G  12           H1*        G  12  31.750 -13.588  23.908
  107    H8     G  12           H8         G  12  28.275 -14.290  22.945
  108    H1     G  12           H1         G  12  32.777 -16.644  19.185
  109   1H2     G  12          1H2         G  12  35.001 -14.538  20.890
  110   2H2     G  12          2H2         G  12  34.790 -15.774  19.657
  111   1H5*    A  13          1H5*        A  13  32.258  -7.601  21.366
  112   2H5*    A  13          2H5*        A  13  31.575  -8.962  20.461
  113    H4*    A  13           H4*        A  13  33.944  -8.752  19.827
  114    H3*    A  13           H3*        A  13  32.991 -11.085  21.378
  115    H2*    A  13           H2*        A  13  34.745 -11.176  22.709
  116   2HO*    A  13          2HO*        A  13  36.829 -11.733  21.311
  117    H1*    A  13           H1*        A  13  36.213  -9.381  20.730
  118    H8     A  13           H8         A  13  35.705  -8.460  24.338
  119   1H6     A  13          1H6         A  13  40.131  -9.227  26.098
  120   2H6     A  13          2H6         A  13  41.565  -9.984  25.443
  121    H2     A  13           H2         A  13  40.528 -11.364  21.292
  122   1H5*    C  14          1H5*        C  14  35.160 -13.373  18.819
  123   2H5*    C  14          2H5*        C  14  36.528 -13.403  17.800
  124    H4*    C  14           H4*        C  14  35.701 -15.143  16.734
  125    H3*    C  14           H3*        C  14  33.903 -12.957  15.813
  126    H2*    C  14           H2*        C  14  32.150 -14.552  15.148
  127   2HO*    C  14          2HO*        C  14  32.686 -16.661  14.760
  128    H1*    C  14           H1*        C  14  32.416 -16.329  17.044
  129   1H4     C  14          1H4         C  14  28.847 -12.472  20.720
  130   2H4     C  14          2H4         C  14  27.741 -13.396  19.728
  131    H5     C  14           H5         C  14  31.255 -12.465  20.253
  132    H6     C  14           H6         C  14  32.964 -13.300  18.735
  133   1H5*    C  15          1H5*        C  15  34.280 -13.796  10.782
  134   2H5*    C  15          2H5*        C  15  33.570 -12.194  10.668
  135    H4*    C  15           H4*        C  15  32.406 -14.636   9.906
  136    H3*    C  15           H3*        C  15  31.016 -11.999  10.465
  137    H2*    C  15           H2*        C  15  29.087 -13.001   9.787
  138   2HO*    C  15          2HO*        C  15  29.100 -14.787   8.756
  139    H1*    C  15           H1*        C  15  29.383 -15.388  11.235
  140   1H4     C  15          1H4         C  15  28.463 -12.318  16.767
  141   2H4     C  15          2H4         C  15  26.831 -12.698  16.347
  142    H5     C  15           H5         C  15  30.156 -12.482  15.611
  143    H6     C  15           H6         C  15  31.189 -13.090  13.522
  144   1H5*    A  16          1H5*        A  16  28.828 -12.997   7.009
  145   2H5*    A  16          2H5*        A  16  28.585 -11.459   6.295
  146    H4*    A  16           H4*        A  16  26.505 -12.708   6.659
  147    H3*    A  16           H3*        A  16  26.701 -10.069   8.084
  148    H2*    A  16           H2*        A  16  24.402 -10.564   9.007
  149   2HO*    A  16          2HO*        A  16  24.344 -12.393   6.771
  150    H1*    A  16           H1*        A  16  24.604 -13.124   9.194
  151    H8     A  16           H8         A  16  27.642 -11.805  10.934
  152   1H6     A  16          1H6         A  16  25.886 -10.905  15.155
  153   2H6     A  16          2H6         A  16  24.288 -10.567  15.828
  154    H2     A  16           H2         A  16  21.430 -10.953  12.386
  155   1H5*    C  17          1H5*        C  17  23.877  -9.459   6.383
  156   2H5*    C  17          2H5*        C  17  23.354  -7.913   5.703
  157    H4*    C  17           H4*        C  17  22.110  -8.447   7.738
  158    H3*    C  17           H3*        C  17  24.038  -6.135   7.967
  159    H2*    C  17           H2*        C  17  23.311  -5.781  10.169
  160   2HO*    C  17          2HO*        C  17  21.324  -6.795  10.907
  161    H1*    C  17           H1*        C  17  22.499  -8.373  10.596
  162   1H4     C  17          1H4         C  17  27.674  -8.903  14.345
  163   2H4     C  17          2H4         C  17  26.364  -8.337  15.316
  164    H5     C  17           H5         C  17  27.557  -8.914  11.680
  165    H6     C  17           H6         C  17  26.016  -8.613   9.926
  166   1H5*    U  18          1H5*        U  18  21.893  -1.656   8.430
  167   2H5*    U  18          2H5*        U  18  23.589  -1.824   8.812
  168    H4*    U  18           H4*        U  18  21.188  -3.026  10.288
  169    H3*    U  18           H3*        U  18  22.535  -0.604  10.760
  170    H2*    U  18           H2*        U  18  24.051  -1.453  12.511
  171   2HO*    U  18          2HO*        U  18  21.368  -1.568  13.332
  172    H1*    U  18           H1*        U  18  22.296  -3.603  12.917
  173    H3     U  18           H3         U  18  25.349  -4.627  16.010
  174    H5     U  18           H5         U  18  27.002  -5.527  12.259
  175    H6     U  18           H6         U  18  25.327  -4.203  11.269
  176   1H5*    U  19          1H5*        U  19  18.405  -2.447  11.752
  177   2H5*    U  19          2H5*        U  19  17.203  -1.518  10.956
  178    H4*    U  19           H4*        U  19  16.251  -2.254  13.183
  179    H3*    U  19           H3*        U  19  16.108   0.558  12.928
  180    H2*    U  19           H2*        U  19  18.549   0.797  13.872
  181   2HO*    U  19          2HO*        U  19  16.329   1.293  15.631
  182    H1*    U  19           H1*        U  19  17.283  -0.877  16.009
  183    H3     U  19           H3         U  19  20.714  -0.858  18.893
  184    H5     U  19           H5         U  19  22.612  -0.239  15.165
  185    H6     U  19           H6         U  19  20.518  -0.250  14.158
  186   1H5*    A  20          1H5*        A  20  14.324  -1.213  11.289
  187   2H5*    A  20          2H5*        A  20  12.697  -1.824  11.654
  188    H4*    A  20           H4*        A  20  14.010  -3.270  10.020
  189    H3*    A  20           H3*        A  20  13.169  -4.400  12.733
  190    H2*    A  20           H2*        A  20  13.979  -6.479  12.227
  191   2HO*    A  20          2HO*        A  20  14.114  -7.207  10.202
  192    H1*    A  20           H1*        A  20  16.191  -5.583  10.781
  193    H8     A  20           H8         A  20  14.602  -5.870  14.249
  194   1H6     A  20          1H6         A  20  20.267  -5.810  16.610
  195   2H6     A  20          2H6         A  20  18.568  -6.032  16.955
  196    H2     A  20           H2         A  20  20.596  -5.053  12.185
  197   1H5*    A  21          1H5*        A  21  12.424  -7.185   8.814
  198   2H5*    A  21          2H5*        A  21  10.908  -7.951   9.331
  199    H4*    A  21           H4*        A  21  12.556  -9.656   8.602
  200    H3*    A  21           H3*        A  21  11.526  -9.564  11.419
  201    H2*    A  21           H2*        A  21  13.282 -10.709  12.374
  202   2HO*    A  21          2HO*        A  21  13.765 -12.198  10.080
  203    H1*    A  21           H1*        A  21  15.083 -10.893  10.281
  204    H8     A  21           H8         A  21  14.787  -9.857  13.733
  205   1H6     A  21          1H6         A  21  19.099  -7.831  14.246
  206   2H6     A  21          2H6         A  21  20.302  -7.273  13.108
  207    H2     A  21           H2         A  21  18.676  -8.099   8.990
  208   1H5*    A  22          1H5*        A  22  12.323 -15.053   8.248
  209   2H5*    A  22          2H5*        A  22  13.624 -14.893   9.401
  210    H4*    A  22           H4*        A  22  13.289 -13.151   6.892
  211    H3*    A  22           H3*        A  22  14.755 -15.681   7.556
  212    H2*    A  22           H2*        A  22  16.765 -14.786   7.630
  213   2HO*    A  22          2HO*        A  22  17.463 -14.860   5.642
  214    H1*    A  22           H1*        A  22  16.030 -12.105   6.623
  215    H8     A  22           H8         A  22  16.732 -13.398  10.173
  216   1H6     A  22          1H6         A  22  22.103 -10.395   9.570
  217   2H6     A  22          2H6         A  22  21.128 -11.331  10.678
  218    H2     A  22           H2         A  22  20.013 -10.110   5.828
  219   1H5*    A  23          1H5*        A  23  17.094 -15.119   3.875
  220   2H5*    A  23          2H5*        A  23  16.700 -16.638   3.054
  221    H4*    A  23           H4*        A  23  19.003 -16.650   2.988
  222    H3*    A  23           H3*        A  23  18.481 -17.892   5.764
  223    H2*    A  23           H2*        A  23  21.026 -18.426   5.686
  224   2HO*    A  23          2HO*        A  23  21.296 -18.813   3.607
  225    H1*    A  23           H1*        A  23  21.544 -15.832   4.814
  226    H8     A  23           H8         A  23  18.707 -15.803   7.454
  227   1H6     A  23          1H6         A  23  23.174 -13.549  11.110
  228   2H6     A  23          2H6         A  23  21.468 -13.859  11.048
  229    H2     A  23           H2         A  23  24.968 -14.890   7.234
  230   1H5*    A  24          1H5*        A  24  22.046 -21.790   3.831
  231   2H5*    A  24          2H5*        A  24  20.942 -22.624   4.940
  232    H4*    A  24           H4*        A  24  23.387 -22.457   5.796
  233    H3*    A  24           H3*        A  24  21.066 -22.027   7.482
  234    H2*    A  24           H2*        A  24  22.204 -20.645   8.775
  235   2HO*    A  24          2HO*        A  24  24.361 -21.533   9.523
  236    H1*    A  24           H1*        A  24  24.800 -20.913   7.291
  237    H8     A  24           H8         A  24  22.239 -18.453   8.930
  238   1H6     A  24          1H6         A  24  25.461 -15.091  10.110
  239   2H6     A  24          2H6         A  24  27.099 -14.773   9.586
  240    H2     A  24           H2         A  24  28.133 -17.888   6.570
  241   1H5*    C  25          1H5*        C  25  20.157 -25.770   8.664
  242   2H5*    C  25          2H5*        C  25  21.363 -24.475   8.789
  243    H4*    C  25           H4*        C  25  21.742 -25.984  10.577
  244    H3*    C  25           H3*        C  25  23.754 -25.403   8.813
  245    H2*    C  25           H2*        C  25  23.496 -27.066   7.399
  246   2HO*    C  25          2HO*        C  25  25.620 -27.394   8.187
  247    H1*    C  25           H1*        C  25  23.021 -29.179   9.480
  248   1H4     C  25          1H4         C  25  20.009 -32.864   5.378
  249   2H4     C  25          2H4         C  25  20.281 -31.743   4.063
  250    H5     C  25           H5         C  25  21.516 -29.695   4.355
  251    H6     C  25           H6         C  25  22.090 -27.967   5.979
  252   1H5*    A  26          1H5*        A  26  26.602 -23.705  12.003
  253   2H5*    A  26          2H5*        A  26  25.338 -24.081  10.827
  254    H4*    A  26           H4*        A  26  27.370 -24.677   9.254
  255    H3*    A  26           H3*        A  26  28.708 -23.301  11.505
  256    H2*    A  26           H2*        A  26  29.454 -21.453  10.401
  257   2HO*    A  26          2HO*        A  26  30.735 -22.242   8.883
  258    H1*    A  26           H1*        A  26  27.722 -21.168   8.297
  259    H8     A  26           H8         A  26  25.547 -21.461  11.279
  260   1H6     A  26          1H6         A  26  26.260 -17.159  13.427
  261   2H6     A  26          2H6         A  26  27.349 -15.839  13.080
  262    H2     A  26           H2         A  26  29.912 -17.100   9.613
  263   1H5*    C  27          1H5*        C  27  32.265 -23.368   9.595
  264   2H5*    C  27          2H5*        C  27  33.482 -24.369  10.404
  265    H4*    C  27           H4*        C  27  34.369 -22.101  10.284
  266    H3*    C  27           H3*        C  27  33.167 -22.187  13.021
  267    H2*    C  27           H2*        C  27  34.325 -20.123  13.294
  268   2HO*    C  27          2HO*        C  27  36.272 -20.641  12.416
  269    H1*    C  27           H1*        C  27  33.821 -19.379  10.587
  270   1H4     C  27          1H4         C  27  29.136 -16.460  14.178
  271   2H4     C  27          2H4         C  27  30.366 -15.269  13.842
  272    H5     C  27           H5         C  27  29.429 -18.666  13.808
  273    H6     C  27           H6         C  27  30.624 -20.410  12.398
  274   1H5*    C  28          1H5*        C  28  38.034 -21.045  13.435
  275   2H5*    C  28          2H5*        C  28  38.227 -22.071  14.867
  276    H4*    C  28           H4*        C  28  39.151 -19.633  14.939
  277    H3*    C  28           H3*        C  28  37.518 -21.011  17.024
  278    H2*    C  28           H2*        C  28  37.298 -19.147  18.360
  279   2HO*    C  28          2HO*        C  28  39.298 -18.366  18.595
  280    H1*    C  28           H1*        C  28  37.077 -17.157  16.392
  281   1H4     C  28          1H4         C  28  31.274 -19.995  17.896
  282   2H4     C  28          2H4         C  28  31.389 -18.561  18.904
  283    H5     C  28           H5         C  28  32.948 -20.758  16.530
  284    H6     C  28           H6         C  28  35.119 -20.195  15.346
  285   1H5*    G  29          1H5*        G  29  40.358 -19.809  19.185
  286   2H5*    G  29          2H5*        G  29  41.296 -20.656  20.427
  287    H4*    G  29           H4*        G  29  39.816 -18.845  21.319
  288    H3*    G  29           H3*        G  29  38.766 -21.582  22.129
  289    H2*    G  29           H2*        G  29  37.121 -20.461  23.384
  290   2HO*    G  29          2HO*        G  29  37.253 -18.239  23.818
  291    H1*    G  29           H1*        G  29  36.772 -18.359  21.521
  292    H8     G  29           H8         G  29  36.544 -21.359  19.243
  293    H1     G  29           H1         G  29  30.903 -19.571  21.777
  294   1H2     G  29          1H2         G  29  33.056 -17.905  24.233
  295   2H2     G  29          2H2         G  29  31.422 -18.238  23.711
  296   1H5*    G  30          1H5*        G  30  40.076 -19.941  25.594
  297   2H5*    G  30          2H5*        G  30  40.287 -20.889  27.078
  298    H4*    G  30           H4*        G  30  38.043 -19.681  26.628
  299    H3*    G  30           H3*        G  30  38.181 -22.628  27.297
  300    H2*    G  30           H2*        G  30  35.876 -22.806  27.046
  301   2HO*    G  30          2HO*        G  30  34.524 -20.920  27.379
  302    H1*    G  30           H1*        G  30  35.654 -20.315  25.572
  303    H8     G  30           H8         G  30  36.985 -22.629  22.893
  304    H1     G  30           H1         G  30  30.627 -22.701  23.421
  305   1H2     G  30          1H2         G  30  31.065 -21.355  26.623
  306   2H2     G  30          2H2         G  30  29.950 -21.905  25.385
  Start of MODEL   14
    1   1H5*    A   3          1H5*        A   3  24.680  -4.641  26.777
    2   2H5*    A   3          2H5*        A   3  23.008  -4.537  27.414
    3    H4*    A   3           H4*        A   3  22.996  -2.985  25.789
    4    H3*    A   3           H3*        A   3  22.327  -5.445  24.015
    5    H2*    A   3           H2*        A   3  22.234  -4.171  22.155
    6   2HO*    A   3          2HO*        A   3  21.725  -2.078  22.115
    7    H1*    A   3           H1*        A   3  24.512  -2.603  22.769
    8    H8     A   3           H8         A   3  25.979  -5.623  23.189
    9   1H6     A   3          1H6         A   3  27.033  -6.519  18.611
   10   2H6     A   3          2H6         A   3  26.346  -5.963  17.073
   11    H2     A   3           H2         A   3  22.974  -3.197  18.160
   12   1H5*    G   4          1H5*        G   4  19.406  -8.080  23.637
   13   2H5*    G   4          2H5*        G   4  20.961  -7.153  23.781
   14    H4*    G   4           H4*        G   4  19.165  -6.048  21.717
   15    H3*    G   4           H3*        G   4  19.866  -9.019  20.740
   16    H2*    G   4           H2*        G   4  20.155  -8.181  18.645
   17   2HO*    G   4          2HO*        G   4  19.259  -6.297  17.934
   18    H1*    G   4           H1*        G   4  21.263  -5.713  19.343
   19    H8     G   4           H8         G   4  23.345  -7.673  21.312
   20    H1     G   4           H1         G   4  24.586  -7.822  14.976
   21   1H2     G   4          1H2         G   4  21.130  -6.760  14.992
   22   2H2     G   4          2H2         G   4  22.532  -7.151  14.031
   23   1H5*    U   5          1H5*        U   5  16.226  -8.625  18.604
   24   2H5*    U   5          2H5*        U   5  15.200 -10.060  18.752
   25    H4*    U   5           H4*        U   5  15.749  -9.644  16.401
   26    H3*    U   5           H3*        U   5  17.501 -12.008  17.300
   27    H2*    U   5           H2*        U   5  18.003 -12.199  14.964
   28   2HO*    U   5          2HO*        U   5  15.752 -10.549  14.744
   29    H1*    U   5           H1*        U   5  18.445  -9.587  14.651
   30    H3     U   5           H3         U   5  22.681 -10.623  14.496
   31    H5     U   5           H5         U   5  21.841 -10.277  18.608
   32    H6     U   5           H6         U   5  19.440 -10.245  18.046
   33   1H5*    G   6          1H5*        G   6  15.948 -13.148  14.283
   34   2H5*    G   6          2H5*        G   6  15.398 -14.800  13.959
   35    H4*    G   6           H4*        G   6  17.162 -14.252  12.474
   36    H3*    G   6           H3*        G   6  18.210 -15.990  14.669
   37    H2*    G   6           H2*        G   6  20.263 -16.064  13.439
   38   2HO*    G   6          2HO*        G   6  20.375 -15.188  11.325
   39    H1*    G   6           H1*        G   6  20.106 -13.531  12.568
   40    H8     G   6           H8         G   6  19.776 -13.294  16.331
   41    H1     G   6           H1         G   6  25.755 -13.289  14.060
   42   1H2     G   6          1H2         G   6  24.289 -14.706  11.179
   43   2H2     G   6          2H2         G   6  25.742 -14.153  11.976
   44   1H5*    G   7          1H5*        G   7  19.296 -19.774  15.078
   45   2H5*    G   7          2H5*        G   7  18.733 -18.087  15.083
   46    H4*    G   7           H4*        G   7  20.699 -18.237  13.074
   47    H3*    G   7           H3*        G   7  21.461 -20.058  15.350
   48    H2*    G   7           H2*        G   7  23.278 -18.788  15.963
   49   2HO*    G   7          2HO*        G   7  23.649 -18.865  13.214
   50    H1*    G   7           H1*        G   7  22.886 -16.652  14.334
   51    H8     G   7           H8         G   7  20.973 -15.852  17.379
   52    H1     G   7           H1         G   7  27.357 -14.924  17.675
   53   1H2     G   7          1H2         G   7  27.205 -17.146  14.837
   54   2H2     G   7          2H2         G   7  28.195 -16.185  15.913
   55   1H5*   CH   8          1H5*       CH   8  23.302 -24.162  14.598
   56   2H5*   CH   8          2H5*       CH   8  22.787 -22.590  15.267
   57    H4*   CH   8           H4*       CH   8  25.520 -22.928  13.770
   58    H3*   CH   8           H3*       CH   8  25.327 -23.606  16.911
   59    H2*   CH   8           H2*       CH   8  27.672 -22.813  16.819
   60   2HO*   CH   8          2HO*       CH   8  28.642 -22.367  14.679
   61    H1*   CH   8           H1*       CH   8  27.370 -21.153  14.922
   62    HN3   CH   8           HN3       CH   8  29.348 -18.720  18.040
   63   1H4    CH   8          1H4        CH   8  26.931 -17.347  20.116
   64   2H4    CH   8          2H4        CH   8  28.598 -17.216  19.764
   65    H5    CH   8           H5        CH   8  25.317 -18.938  19.311
   66    H6    CH   8           H6        CH   8  24.896 -20.500  17.445
   67   1H5*    G   9          1H5*        G   9  23.659 -26.867  18.229
   68   2H5*    G   9          2H5*        G   9  22.334 -26.659  17.060
   69    H4*    G   9           H4*        G   9  21.527 -24.737  18.302
   70    H3*    G   9           H3*        G   9  24.157 -24.190  18.902
   71    H2*    G   9           H2*        G   9  24.369 -25.953  20.350
   72   2HO*    G   9          2HO*        G   9  24.036 -24.947  22.593
   73    H1*    G   9           H1*        G   9  21.673 -25.084  21.422
   74    H8     G   9           H8         G   9  21.434 -28.587  20.890
   75    H1     G   9           H1         G   9  24.320 -27.738  26.510
   76   1H2     G   9          1H2         G   9  24.800 -24.464  25.424
   77   2H2     G   9          2H2         G   9  25.035 -25.647  26.691
   78   1H5*    C  10          1H5*        C  10  22.833 -23.626  22.594
   79   2H5*    C  10          2H5*        C  10  21.803 -22.617  23.589
   80    H4*    C  10           H4*        C  10  23.697 -22.799  25.070
   81    H3*    C  10           H3*        C  10  25.247 -20.840  23.282
   82    H2*    C  10           H2*        C  10  26.782 -20.903  24.859
   83   2HO*    C  10          2HO*        C  10  26.471 -21.906  26.791
   84    H1*    C  10           H1*        C  10  26.674 -23.669  24.908
   85   1H4     C  10          1H4         C  10  30.107 -23.977  19.527
   86   2H4     C  10          2H4         C  10  31.311 -23.637  20.766
   87    H5     C  10           H5         C  10  27.723 -23.728  19.893
   88    H6     C  10           H6         C  10  26.055 -23.475  21.452
   89   1H5*    C  11          1H5*        C  11  24.077 -16.312  26.671
   90   2H5*    C  11          2H5*        C  11  23.940 -17.116  25.073
   91    H4*    C  11           H4*        C  11  26.215 -17.736  27.028
   92    H3*    C  11           H3*        C  11  26.422 -15.310  25.137
   93    H2*    C  11           H2*        C  11  28.497 -15.992  24.515
   94   2HO*    C  11          2HO*        C  11  29.903 -17.048  26.012
   95    H1*    C  11           H1*        C  11  28.288 -18.691  25.565
   96   1H4     C  11          1H4         C  11  28.992 -20.729  19.723
   97   2H4     C  11          2H4         C  11  30.571 -20.454  20.288
   98    H5     C  11           H5         C  11  26.941 -19.857  20.859
   99    H6     C  11           H6         C  11  26.280 -18.562  22.671
  100   1H5*    G  12          1H5*        G  12  27.461 -11.065  26.116
  101   2H5*    G  12          2H5*        G  12  26.807 -12.463  25.168
  102    H4*    G  12           H4*        G  12  29.796 -11.991  25.932
  103    H3*    G  12           H3*        G  12  28.746 -10.884  23.209
  104    H2*    G  12           H2*        G  12  30.608 -11.584  22.266
  105   2HO*    G  12          2HO*        G  12  31.702 -11.180  24.769
  106    H1*    G  12           H1*        G  12  31.285 -13.642  23.733
  107    H8     G  12           H8         G  12  27.948 -14.621  22.752
  108    H1     G  12           H1         G  12  32.596 -16.668  19.018
  109   1H2     G  12          1H2         G  12  34.668 -14.363  20.649
  110   2H2     G  12          2H2         G  12  34.532 -15.637  19.445
  111   1H5*    A  13          1H5*        A  13  31.841  -7.591  21.455
  112   2H5*    A  13          2H5*        A  13  31.093  -8.873  20.484
  113    H4*    A  13           H4*        A  13  33.414  -8.715  19.738
  114    H3*    A  13           H3*        A  13  32.509 -11.073  21.279
  115    H2*    A  13           H2*        A  13  34.333 -11.169  22.566
  116   2HO*    A  13          2HO*        A  13  35.360 -11.875  19.993
  117    H1*    A  13           H1*        A  13  35.723  -9.386  20.521
  118    H8     A  13           H8         A  13  35.364  -8.536  24.176
  119   1H6     A  13          1H6         A  13  39.895  -9.209  25.697
  120   2H6     A  13          2H6         A  13  41.319  -9.892  24.946
  121    H2     A  13           H2         A  13  40.126 -11.167  20.804
  122   1H5*    C  14          1H5*        C  14  34.799 -13.175  18.921
  123   2H5*    C  14          2H5*        C  14  36.233 -13.225  17.989
  124    H4*    C  14           H4*        C  14  35.538 -15.092  17.051
  125    H3*    C  14           H3*        C  14  33.980 -12.969  15.743
  126    H2*    C  14           H2*        C  14  32.182 -14.390  15.066
  127   2HO*    C  14          2HO*        C  14  32.539 -16.518  14.689
  128    H1*    C  14           H1*        C  14  32.244 -16.303  16.885
  129   1H4     C  14          1H4         C  14  28.446 -12.625  20.438
  130   2H4     C  14          2H4         C  14  27.420 -13.604  19.413
  131    H5     C  14           H5         C  14  30.852 -12.528  20.065
  132    H6     C  14           H6         C  14  32.623 -13.285  18.630
  133   1H5*    C  15          1H5*        C  15  34.488 -15.105  11.399
  134   2H5*    C  15          2H5*        C  15  34.299 -13.501  10.667
  135    H4*    C  15           H4*        C  15  32.500 -15.568  10.432
  136    H3*    C  15           H3*        C  15  32.257 -12.574  10.216
  137    H2*    C  15           H2*        C  15  29.995 -12.748   9.981
  138   2HO*    C  15          2HO*        C  15  30.314 -14.714   8.547
  139    H1*    C  15           H1*        C  15  29.563 -15.134  11.383
  140   1H4     C  15          1H4         C  15  28.207 -11.794  16.631
  141   2H4     C  15          2H4         C  15  26.682 -12.322  15.976
  142    H5     C  15           H5         C  15  30.266 -11.983  15.559
  143    H6     C  15           H6         C  15  31.474 -12.669  13.463
  144   1H5*    A  16          1H5*        A  16  29.671 -11.796   5.856
  145   2H5*    A  16          2H5*        A  16  29.921 -10.833   7.304
  146    H4*    A  16           H4*        A  16  27.491 -12.246   6.305
  147    H3*    A  16           H3*        A  16  27.770  -9.632   7.847
  148    H2*    A  16           H2*        A  16  25.402 -10.081   8.613
  149   2HO*    A  16          2HO*        A  16  24.151 -11.556   7.493
  150    H1*    A  16           H1*        A  16  25.537 -12.544   8.808
  151    H8     A  16           H8         A  16  28.619 -11.127  10.518
  152   1H6     A  16          1H6         A  16  26.687 -10.701  14.861
  153   2H6     A  16          2H6         A  16  25.020 -10.609  15.454
  154    H2     A  16           H2         A  16  22.388 -11.011  11.860
  155   1H5*    C  17          1H5*        C  17  24.826  -8.979   6.057
  156   2H5*    C  17          2H5*        C  17  24.435  -7.372   5.426
  157    H4*    C  17           H4*        C  17  22.851  -7.991   7.169
  158    H3*    C  17           H3*        C  17  24.818  -5.849   7.953
  159    H2*    C  17           H2*        C  17  23.591  -5.565   9.983
  160   2HO*    C  17          2HO*        C  17  21.558  -6.691  10.231
  161    H1*    C  17           H1*        C  17  22.901  -8.175  10.227
  162   1H4     C  17          1H4         C  17  28.022  -8.866  14.040
  163   2H4     C  17          2H4         C  17  26.662  -8.475  15.028
  164    H5     C  17           H5         C  17  27.979  -8.602  11.406
  165    H6     C  17           H6         C  17  26.479  -8.221   9.611
  166   1H5*    U  18          1H5*        U  18  21.005  -1.653   8.688
  167   2H5*    U  18          2H5*        U  18  22.725  -1.786   9.009
  168    H4*    U  18           H4*        U  18  20.435  -3.089  10.539
  169    H3*    U  18           H3*        U  18  21.608  -0.554  10.964
  170    H2*    U  18           H2*        U  18  23.167  -1.361  12.739
  171   2HO*    U  18          2HO*        U  18  21.700  -2.136  14.560
  172    H1*    U  18           H1*        U  18  21.394  -3.558  13.148
  173    H3     U  18           H3         U  18  24.537  -4.476  16.274
  174    H5     U  18           H5         U  18  25.966  -5.548  12.468
  175    H6     U  18           H6         U  18  24.322  -4.194  11.544
  176   1H5*    U  19          1H5*        U  19  17.284  -2.266  11.365
  177   2H5*    U  19          2H5*        U  19  16.052  -1.063  10.922
  178    H4*    U  19           H4*        U  19  15.227  -2.422  12.898
  179    H3*    U  19           H3*        U  19  15.014   0.375  13.100
  180    H2*    U  19           H2*        U  19  17.403   0.495  14.212
  181   2HO*    U  19          2HO*        U  19  15.522   1.657  15.262
  182    H1*    U  19           H1*        U  19  16.108  -1.571  15.929
  183    H3     U  19           H3         U  19  19.382  -1.541  19.017
  184    H5     U  19           H5         U  19  21.423  -0.526  15.457
  185    H6     U  19           H6         U  19  19.354  -0.643  14.310
  186   1H5*    A  20          1H5*        A  20  13.127  -1.156  10.836
  187   2H5*    A  20          2H5*        A  20  11.615  -1.979  11.269
  188    H4*    A  20           H4*        A  20  13.030  -3.037   9.308
  189    H3*    A  20           H3*        A  20  12.121  -4.576  11.783
  190    H2*    A  20           H2*        A  20  13.150  -6.460  11.169
  191   2HO*    A  20          2HO*        A  20  13.293  -7.102   9.148
  192    H1*    A  20           H1*        A  20  15.284  -5.317   9.766
  193    H8     A  20           H8         A  20  13.729  -5.933  13.228
  194   1H6     A  20          1H6         A  20  19.446  -6.176  15.451
  195   2H6     A  20          2H6         A  20  17.749  -6.368  15.825
  196    H2     A  20           H2         A  20  19.695  -5.087  11.093
  197   1H5*    A  21          1H5*        A  21  10.129  -8.482  10.894
  198   2H5*    A  21          2H5*        A  21  11.387  -7.621  11.794
  199    H4*    A  21           H4*        A  21  11.881  -9.826   9.707
  200    H3*    A  21           H3*        A  21  11.430  -9.953  12.649
  201    H2*    A  21           H2*        A  21  13.591 -10.464  13.256
  202   2HO*    A  21          2HO*        A  21  13.512 -12.203  11.028
  203    H1*    A  21           H1*        A  21  14.814 -10.634  10.738
  204    H8     A  21           H8         A  21  14.543  -8.612  13.972
  205   1H6     A  21          1H6         A  21  20.599  -7.716  13.081
  206   2H6     A  21          2H6         A  21  19.353  -7.829  14.303
  207    H2     A  21           H2         A  21  18.680  -8.815   9.164
  208   1H5*    A  22          1H5*        A  22  13.097 -13.659   8.260
  209   2H5*    A  22          2H5*        A  22  14.444 -13.492   9.364
  210    H4*    A  22           H4*        A  22  13.994 -11.697   6.909
  211    H3*    A  22           H3*        A  22  15.439 -14.291   7.378
  212    H2*    A  22           H2*        A  22  17.485 -13.462   7.248
  213   2HO*    A  22          2HO*        A  22  18.011 -12.195   5.288
  214    H1*    A  22           H1*        A  22  16.735 -10.720   6.495
  215    H8     A  22           H8         A  22  17.451 -11.757  10.047
  216   1H6     A  22          1H6         A  22  23.271 -10.024   8.892
  217   2H6     A  22          2H6         A  22  22.204 -10.627  10.135
  218    H2     A  22           H2         A  22  21.033  -9.698   5.237
  219   1H5*    A  23          1H5*        A  23  17.346 -13.722   3.582
  220   2H5*    A  23          2H5*        A  23  16.863 -15.142   2.636
  221    H4*    A  23           H4*        A  23  19.211 -15.131   2.463
  222    H3*    A  23           H3*        A  23  18.694 -16.824   4.991
  223    H2*    A  23           H2*        A  23  21.254 -17.274   4.908
  224   2HO*    A  23          2HO*        A  23  21.452 -17.408   2.749
  225    H1*    A  23           H1*        A  23  21.800 -14.619   4.452
  226    H8     A  23           H8         A  23  18.863 -15.155   6.963
  227   1H6     A  23          1H6         A  23  23.086 -13.876  11.224
  228   2H6     A  23          2H6         A  23  21.430 -14.228  10.977
  229    H2     A  23           H2         A  23  25.163 -14.103   7.209
  230   1H5*    A  24          1H5*        A  24  22.292 -20.363   2.617
  231   2H5*    A  24          2H5*        A  24  21.145 -21.294   3.599
  232    H4*    A  24           H4*        A  24  23.598 -21.301   4.497
  233    H3*    A  24           H3*        A  24  21.249 -21.064   6.184
  234    H2*    A  24           H2*        A  24  22.389 -19.905   7.671
  235   2HO*    A  24          2HO*        A  24  24.198 -20.924   8.618
  236    H1*    A  24           H1*        A  24  25.004 -20.021   6.204
  237    H8     A  24           H8         A  24  22.462 -17.761   8.157
  238   1H6     A  24          1H6         A  24  27.462 -14.533   9.642
  239   2H6     A  24          2H6         A  24  25.778 -14.818  10.018
  240    H2     A  24           H2         A  24  28.490 -17.126   6.194
  241   1H5*    C  25          1H5*        C  25  20.117 -24.750   8.186
  242   2H5*    C  25          2H5*        C  25  19.539 -23.377   9.125
  243    H4*    C  25           H4*        C  25  22.252 -23.372   9.715
  244    H3*    C  25           H3*        C  25  21.541 -26.262   9.517
  245    H2*    C  25           H2*        C  25  22.627 -26.619  11.497
  246   2HO*    C  25          2HO*        C  25  23.824 -24.234  11.946
  247    H1*    C  25           H1*        C  25  22.187 -24.140  12.700
  248   1H4     C  25          1H4         C  25  18.925 -28.276  16.246
  249   2H4     C  25          2H4         C  25  17.871 -28.671  14.907
  250    H5     C  25           H5         C  25  18.109 -27.690  12.702
  251    H6     C  25           H6         C  25  19.438 -26.205  11.332
  252   1H5*    A  26          1H5*        A  26  27.050 -25.019  10.118
  253   2H5*    A  26          2H5*        A  26  25.719 -23.884   9.917
  254    H4*    A  26           H4*        A  26  27.781 -23.990   7.743
  255    H3*    A  26           H3*        A  26  28.353 -23.090  10.551
  256    H2*    A  26           H2*        A  26  29.159 -21.035   9.928
  257   2HO*    A  26          2HO*        A  26  30.697 -21.664   8.469
  258    H1*    A  26           H1*        A  26  27.657 -20.506   7.670
  259    H8     A  26           H8         A  26  25.216 -21.411  10.362
  260   1H6     A  26          1H6         A  26  26.703 -16.086  13.203
  261   2H6     A  26          2H6         A  26  25.644 -17.470  13.291
  262    H2     A  26           H2         A  26  29.491 -16.715   9.763
  263   1H5*    C  27          1H5*        C  27  32.589 -23.298   9.189
  264   2H5*    C  27          2H5*        C  27  33.539 -24.324  10.281
  265    H4*    C  27           H4*        C  27  34.600 -22.091  10.146
  266    H3*    C  27           H3*        C  27  33.058 -21.997  12.726
  267    H2*    C  27           H2*        C  27  34.359 -20.001  13.082
  268   2HO*    C  27          2HO*        C  27  36.327 -20.563  12.350
  269    H1*    C  27           H1*        C  27  34.036 -19.223  10.400
  270   1H4     C  27          1H4         C  27  30.208 -15.464  13.683
  271   2H4     C  27          2H4         C  27  29.004 -16.720  13.854
  272    H5     C  27           H5         C  27  29.417 -18.912  13.352
  273    H6     C  27           H6         C  27  30.748 -20.475  11.841
  274   1H5*    C  28          1H5*        C  28  38.038 -20.745  13.208
  275   2H5*    C  28          2H5*        C  28  38.146 -21.805  14.622
  276    H4*    C  28           H4*        C  28  39.117 -19.352  14.723
  277    H3*    C  28           H3*        C  28  37.628 -20.907  16.769
  278    H2*    C  28           H2*        C  28  37.230 -19.155  18.195
  279   2HO*    C  28          2HO*        C  28  39.176 -18.320  18.578
  280    H1*    C  28           H1*        C  28  37.012 -16.997  16.400
  281   1H4     C  28          1H4         C  28  31.297 -20.102  17.685
  282   2H4     C  28          2H4         C  28  31.327 -18.689  18.724
  283    H5     C  28           H5         C  28  33.030 -20.765  16.327
  284    H6     C  28           H6         C  28  35.163 -20.025  15.160
  285   1H5*    G  29          1H5*        G  29  41.026 -19.925  19.020
  286   2H5*    G  29          2H5*        G  29  41.845 -21.136  20.023
  287    H4*    G  29           H4*        G  29  40.693 -19.253  21.291
  288    H3*    G  29           H3*        G  29  39.358 -21.939  21.774
  289    H2*    G  29           H2*        G  29  37.923 -20.854  23.316
  290   2HO*    G  29          2HO*        G  29  38.278 -18.669  23.905
  291    H1*    G  29           H1*        G  29  37.540 -18.587  21.695
  292    H8     G  29           H8         G  29  37.321 -21.375  19.149
  293    H1     G  29           H1         G  29  31.687 -19.653  21.731
  294   1H2     G  29          1H2         G  29  33.833 -18.218  24.335
  295   2H2     G  29          2H2         G  29  32.197 -18.471  23.767
  296   1H5*    G  30          1H5*        G  30  40.892 -20.948  25.402
  297   2H5*    G  30          2H5*        G  30  41.237 -22.127  26.681
  298    H4*    G  30           H4*        G  30  39.112 -20.744  26.913
  299    H3*    G  30           H3*        G  30  38.933 -23.761  26.772
  300    H2*    G  30           H2*        G  30  36.599 -23.645  26.975
  301   2HO*    G  30          2HO*        G  30  37.235 -21.529  28.561
  302    H1*    G  30           H1*        G  30  36.359 -21.042  25.801
  303    H8     G  30           H8         G  30  37.816 -23.016  22.915
  304    H1     G  30           H1         G  30  31.457 -22.968  23.153
  305   1H2     G  30          1H2         G  30  31.789 -22.040  26.511
  306   2H2     G  30          2H2         G  30  30.720 -22.396  25.169
  Start of MODEL   15
    1   1H5*    A   3          1H5*        A   3  24.743  -3.224  27.146
    2   2H5*    A   3          2H5*        A   3  23.030  -3.453  27.638
    3    H4*    A   3           H4*        A   3  22.951  -1.884  25.902
    4    H3*    A   3           H3*        A   3  22.685  -4.479  24.214
    5    H2*    A   3           H2*        A   3  22.353  -3.097  22.380
    6   2HO*    A   3          2HO*        A   3  21.800  -1.006  22.451
    7    H1*    A   3           H1*        A   3  24.595  -1.473  23.001
    8    H8     A   3           H8         A   3  26.088  -4.373  23.605
    9   1H6     A   3          1H6         A   3  27.234  -5.512  18.991
   10   2H6     A   3          2H6         A   3  26.529  -5.028  17.436
   11    H2     A   3           H2         A   3  23.117  -2.282  18.402
   12   1H5*    G   4          1H5*        G   4  19.783  -3.390  23.246
   13   2H5*    G   4          2H5*        G   4  18.104  -3.943  23.426
   14    H4*    G   4           H4*        G   4  18.431  -3.747  21.141
   15    H3*    G   4           H3*        G   4  19.600  -6.674  21.321
   16    H2*    G   4           H2*        G   4  19.720  -6.578  18.883
   17   2HO*    G   4          2HO*        G   4  18.889  -4.756  17.799
   18    H1*    G   4           H1*        G   4  20.695  -4.041  18.922
   19    H8     G   4           H8         G   4  22.713  -5.521  21.532
   20    H1     G   4           H1         G   4  24.261  -6.669  15.381
   21   1H2     G   4          1H2         G   4  20.809  -5.628  15.102
   22   2H2     G   4          2H2         G   4  22.239  -6.147  14.255
   23   1H5*    U   5          1H5*        U   5  16.256  -6.879  19.165
   24   2H5*    U   5          2H5*        U   5  14.984  -8.092  19.287
   25    H4*    U   5           H4*        U   5  15.693  -7.961  16.992
   26    H3*    U   5           H3*        U   5  17.104 -10.468  18.092
   27    H2*    U   5           H2*        U   5  17.504 -10.763  15.708
   28   2HO*    U   5          2HO*        U   5  15.463  -9.044  15.593
   29    H1*    U   5           H1*        U   5  18.355  -8.361  15.403
   30    H3     U   5           H3         U   5  22.416  -9.869  15.179
   31    H5     U   5           H5         U   5  21.784  -8.856  19.225
   32    H6     U   5           H6         U   5  19.388  -8.748  18.736
   33   1H5*    G   6          1H5*        G   6  16.597 -13.010  13.655
   34   2H5*    G   6          2H5*        G   6  15.708 -14.092  14.823
   35    H4*    G   6           H4*        G   6  17.782 -14.975  14.505
   36    H3*    G   6           H3*        G   6  16.959 -13.739  17.078
   37    H2*    G   6           H2*        G   6  18.755 -12.335  16.588
   38   2HO*    G   6          2HO*        G   6  18.774 -12.465  18.553
   39    H1*    G   6           H1*        G   6  20.172 -14.631  15.408
   40    H8     G   6           H8         G   6  20.844 -12.151  18.050
   41    H1     G   6           H1         G   6  26.160 -12.961  14.678
   42   1H2     G   6          1H2         G   6  24.271 -14.212  12.043
   43   2H2     G   6          2H2         G   6  25.839 -13.772  12.676
   44   1H5*    G   7          1H5*        G   7  20.137 -17.896  17.506
   45   2H5*    G   7          2H5*        G   7  19.688 -16.287  16.828
   46    H4*    G   7           H4*        G   7  20.019 -17.933  14.616
   47    H3*    G   7           H3*        G   7  21.892 -18.966  16.720
   48    H2*    G   7           H2*        G   7  23.919 -18.260  15.515
   49   2HO*    G   7          2HO*        G   7  22.105 -18.383  13.357
   50    H1*    G   7           H1*        G   7  23.267 -16.164  14.502
   51    H8     G   7           H8         G   7  21.485 -15.321  17.660
   52    H1     G   7           H1         G   7  27.951 -14.744  17.846
   53   1H2     G   7          1H2         G   7  27.694 -16.806  14.829
   54   2H2     G   7          2H2         G   7  28.726 -15.937  15.929
   55   1H5*   CH   8          1H5*       CH   8  22.796 -21.409  13.449
   56   2H5*   CH   8          2H5*       CH   8  23.118 -23.122  13.755
   57    H4*   CH   8           H4*       CH   8  25.292 -21.855  13.211
   58    H3*   CH   8           H3*       CH   8  24.681 -22.906  16.126
   59    H2*   CH   8           H2*       CH   8  26.866 -22.173  16.721
   60   2HO*   CH   8          2HO*       CH   8  28.465 -21.547  14.932
   61    H1*   CH   8           H1*       CH   8  27.108 -20.423  14.724
   62    HN3   CH   8           HN3       CH   8  29.354 -18.522  17.969
   63   1H4    CH   8          1H4        CH   8  27.271 -16.658  20.045
   64   2H4    CH   8          2H4        CH   8  28.936 -16.897  19.701
   65    H5    CH   8           H5        CH   8  25.342 -17.917  19.151
   66    H6    CH   8           H6        CH   8  24.655 -19.481  17.311
   67   1H5*    G   9          1H5*        G   9  21.862 -24.948  15.420
   68   2H5*    G   9          2H5*        G   9  22.450 -23.449  16.189
   69    H4*    G   9           H4*        G   9  20.734 -24.764  17.510
   70    H3*    G   9           H3*        G   9  23.296 -23.770  18.444
   71    H2*    G   9           H2*        G   9  23.960 -25.390  19.945
   72   2HO*    G   9          2HO*        G   9  22.224 -25.003  21.314
   73    H1*    G   9           H1*        G   9  22.585 -27.626  19.244
   74    H8     G   9           H8         G   9  25.171 -25.099  18.113
   75    H1     G   9           H1         G   9  26.437 -31.021  16.127
   76   1H2     G   9          1H2         G   9  24.706 -32.337  16.512
   77   2H2     G   9          2H2         G   9  23.232 -31.766  17.260
   78   1H5*    C  10          1H5*        C  10  20.961 -22.895  22.576
   79   2H5*    C  10          2H5*        C  10  20.970 -21.092  22.383
   80    H4*    C  10           H4*        C  10  21.836 -21.831  24.673
   81    H3*    C  10           H3*        C  10  24.019 -20.519  22.943
   82    H2*    C  10           H2*        C  10  25.480 -20.684  24.580
   83   2HO*    C  10          2HO*        C  10  23.210 -21.432  26.145
   84    H1*    C  10           H1*        C  10  25.017 -23.279  25.005
   85   1H4     C  10          1H4         C  10  28.215 -24.551  19.616
   86   2H4     C  10          2H4         C  10  29.465 -24.052  20.755
   87    H5     C  10           H5         C  10  25.831 -24.214  20.017
   88    H6     C  10           H6         C  10  24.187 -23.619  21.602
   89   1H5*    C  11          1H5*        C  11  23.300 -15.488  25.455
   90   2H5*    C  11          2H5*        C  11  23.095 -16.650  24.108
   91    H4*    C  11           H4*        C  11  25.433 -16.768  26.111
   92    H3*    C  11           H3*        C  11  25.694 -15.152  23.481
   93    H2*    C  11           H2*        C  11  27.814 -15.939  23.327
   94   2HO*    C  11          2HO*        C  11  27.737 -15.629  26.032
   95    H1*    C  11           H1*        C  11  27.441 -18.270  24.880
   96   1H4     C  11          1H4         C  11  27.946 -21.430  19.552
   97   2H4     C  11          2H4         C  11  29.535 -21.141  20.079
   98    H5     C  11           H5         C  11  25.927 -20.243  20.463
   99    H6     C  11           H6         C  11  25.341 -18.579  22.046
  100   1H5*    G  12          1H5*        G  12  28.802 -12.984  26.233
  101   2H5*    G  12          2H5*        G  12  28.575 -11.273  25.753
  102    H4*    G  12           H4*        G  12  31.011 -12.006  25.779
  103    H3*    G  12           H3*        G  12  30.064 -11.561  22.882
  104    H2*    G  12           H2*        G  12  32.229 -11.772  22.307
  105   2HO*    G  12          2HO*        G  12  33.861 -12.429  23.918
  106    H1*    G  12           H1*        G  12  32.633 -14.032  23.502
  107    H8     G  12           H8         G  12  29.046 -14.221  22.719
  108    H1     G  12           H1         G  12  32.900 -17.312  18.797
  109   1H2     G  12          1H2         G  12  35.565 -15.626  20.390
  110   2H2     G  12          2H2         G  12  35.091 -16.827  19.189
  111   1H5*    A  13          1H5*        A  13  32.758  -8.125  20.995
  112   2H5*    A  13          2H5*        A  13  31.432  -9.079  20.352
  113    H4*    A  13           H4*        A  13  32.730 -10.112  18.732
  114    H3*    A  13           H3*        A  13  34.639 -10.623  20.800
  115    H2*    A  13           H2*        A  13  35.919  -8.717  20.547
  116   2HO*    A  13          2HO*        A  13  37.578  -9.103  18.918
  117    H1*    A  13           H1*        A  13  35.428  -8.375  17.613
  118    H8     A  13           H8         A  13  33.875  -5.852  19.523
  119   1H6     A  13          1H6         A  13  39.195  -2.873  20.373
  120   2H6     A  13          2H6         A  13  37.456  -2.767  20.532
  121    H2     A  13           H2         A  13  40.116  -6.963  18.759
  122   1H5*    C  14          1H5*        C  14  35.473 -13.576  18.411
  123   2H5*    C  14          2H5*        C  14  36.900 -14.217  17.665
  124    H4*    C  14           H4*        C  14  35.760 -15.644  16.437
  125    H3*    C  14           H3*        C  14  34.402 -13.182  15.397
  126    H2*    C  14           H2*        C  14  32.265 -14.145  15.352
  127   2HO*    C  14          2HO*        C  14  31.825 -16.243  15.171
  128    H1*    C  14           H1*        C  14  32.700 -16.209  16.919
  129   1H4     C  14          1H4         C  14  29.171 -12.623  20.662
  130   2H4     C  14          2H4         C  14  28.112 -13.540  19.599
  131    H5     C  14           H5         C  14  31.573 -12.555  20.181
  132    H6     C  14           H6         C  14  33.300 -13.373  18.692
  133   1H5*    C  15          1H5*        C  15  34.754 -13.452  10.558
  134   2H5*    C  15          2H5*        C  15  34.043 -11.858  10.637
  135    H4*    C  15           H4*        C  15  32.814 -14.352   9.996
  136    H3*    C  15           H3*        C  15  31.519 -11.648  10.473
  137    H2*    C  15           H2*        C  15  29.552 -12.640   9.933
  138   2HO*    C  15          2HO*        C  15  29.485 -14.478   9.007
  139    H1*    C  15           H1*        C  15  29.899 -14.968  11.512
  140   1H4     C  15          1H4         C  15  29.052 -11.623  16.926
  141   2H4     C  15          2H4         C  15  27.428 -12.070  16.532
  142    H5     C  15           H5         C  15  30.801 -11.805  15.701
  143    H6     C  15           H6         C  15  31.768 -12.536  13.628
  144   1H5*    A  16          1H5*        A  16  29.157 -12.869   6.975
  145   2H5*    A  16          2H5*        A  16  28.791 -11.312   6.383
  146    H4*    A  16           H4*        A  16  26.825 -12.871   6.999
  147    H3*    A  16           H3*        A  16  27.074  -9.993   7.789
  148    H2*    A  16           H2*        A  16  24.973 -10.263   9.209
  149   2HO*    A  16          2HO*        A  16  24.479 -12.203   7.167
  150    H1*    A  16           H1*        A  16  25.122 -12.836   9.615
  151    H8     A  16           H8         A  16  28.205 -11.390  11.141
  152   1H6     A  16          1H6         A  16  26.431 -10.280  15.410
  153   2H6     A  16          2H6         A  16  24.807  -9.955  16.038
  154    H2     A  16           H2         A  16  22.013 -10.581  12.580
  155   1H5*    C  17          1H5*        C  17  23.286  -7.270   5.851
  156   2H5*    C  17          2H5*        C  17  24.936  -7.018   6.473
  157    H4*    C  17           H4*        C  17  22.378  -7.750   7.984
  158    H3*    C  17           H3*        C  17  24.184  -5.315   8.327
  159    H2*    C  17           H2*        C  17  23.392  -5.158  10.474
  160   2HO*    C  17          2HO*        C  17  21.469  -6.232  11.136
  161    H1*    C  17           H1*        C  17  22.771  -7.822  10.725
  162   1H4     C  17          1H4         C  17  27.741  -7.805  14.754
  163   2H4     C  17          2H4         C  17  26.348  -7.268  15.618
  164    H5     C  17           H5         C  17  27.789  -7.936  12.082
  165    H6     C  17           H6         C  17  26.329  -7.850  10.218
  166   1H5*    U  18          1H5*        U  18  20.853  -1.046   9.050
  167   2H5*    U  18          2H5*        U  18  22.559  -1.468   9.173
  168    H4*    U  18           H4*        U  18  20.364  -2.487  11.017
  169    H3*    U  18           H3*        U  18  21.678   0.033  11.182
  170    H2*    U  18           H2*        U  18  23.290  -0.709  12.928
  171   2HO*    U  18          2HO*        U  18  20.664  -0.607  13.896
  172    H1*    U  18           H1*        U  18  21.504  -2.842  13.451
  173    H3     U  18           H3         U  18  24.672  -3.613  16.585
  174    H5     U  18           H5         U  18  26.110  -4.882  12.858
  175    H6     U  18           H6         U  18  24.481  -3.572  11.831
  176   1H5*    U  19          1H5*        U  19  17.420  -2.555  12.240
  177   2H5*    U  19          2H5*        U  19  16.251  -1.643  11.312
  178    H4*    U  19           H4*        U  19  15.155  -2.429  13.463
  179    H3*    U  19           H3*        U  19  14.838   0.351  13.097
  180    H2*    U  19           H2*        U  19  17.152   0.798  14.248
  181   2HO*    U  19          2HO*        U  19  15.266   2.116  14.948
  182    H1*    U  19           H1*        U  19  15.863  -0.893  16.349
  183    H3     U  19           H3         U  19  19.089  -0.487  19.443
  184    H5     U  19           H5         U  19  21.175   0.156  15.824
  185    H6     U  19           H6         U  19  19.155  -0.078  14.676
  186   1H5*    A  20          1H5*        A  20  12.432  -1.897  11.205
  187   2H5*    A  20          2H5*        A  20  11.263  -2.892  12.101
  188    H4*    A  20           H4*        A  20  12.657  -4.141  10.228
  189    H3*    A  20           H3*        A  20  12.376  -5.061  13.114
  190    H2*    A  20           H2*        A  20  13.913  -6.630  12.969
  191   2HO*    A  20          2HO*        A  20  14.453  -7.588  10.900
  192    H1*    A  20           H1*        A  20  15.470  -5.650  10.851
  193    H8     A  20           H8         A  20  14.463  -5.104  14.537
  194   1H6     A  20          1H6         A  20  18.760  -4.439  16.494
  195   2H6     A  20          2H6         A  20  20.378  -4.360  15.847
  196    H2     A  20           H2         A  20  20.065  -4.847  11.443
  197   1H5*    A  21          1H5*        A  21  12.804  -7.682   9.873
  198   2H5*    A  21          2H5*        A  21  11.748  -8.204   8.564
  199    H4*    A  21           H4*        A  21  12.417 -10.409   8.775
  200    H3*    A  21           H3*        A  21  11.763  -9.991  11.608
  201    H2*    A  21           H2*        A  21  13.624 -10.863  12.456
  202   2HO*    A  21          2HO*        A  21  13.906 -12.803  10.517
  203    H1*    A  21           H1*        A  21  15.167 -11.495  10.201
  204    H8     A  21           H8         A  21  15.362 -10.003  13.486
  205   1H6     A  21          1H6         A  21  20.439  -6.953  11.923
  206   2H6     A  21          2H6         A  21  19.428  -7.464  13.254
  207    H2     A  21           H2         A  21  18.643  -8.569   8.170
  208   1H5*    A  22          1H5*        A  22  13.697 -14.449   8.284
  209   2H5*    A  22          2H5*        A  22  14.860 -14.067   9.534
  210    H4*    A  22           H4*        A  22  14.795 -12.732   6.779
  211    H3*    A  22           H3*        A  22  16.270 -15.096   7.955
  212    H2*    A  22           H2*        A  22  18.312 -14.272   7.600
  213   2HO*    A  22          2HO*        A  22  18.603 -14.554   5.513
  214    H1*    A  22           H1*        A  22  17.455 -11.655   6.572
  215    H8     A  22           H8         A  22  17.834 -12.297  10.296
  216   1H6     A  22          1H6         A  22  23.299  -9.509   9.669
  217   2H6     A  22          2H6         A  22  22.133 -10.097  10.832
  218    H2     A  22           H2         A  22  21.731 -10.182   5.731
  219   1H5*    A  23          1H5*        A  23  17.628 -15.823   4.541
  220   2H5*    A  23          2H5*        A  23  17.340 -17.438   3.865
  221    H4*    A  23           H4*        A  23  19.653 -17.278   3.886
  222    H3*    A  23           H3*        A  23  19.061 -18.337   6.730
  223    H2*    A  23           H2*        A  23  21.617 -18.752   6.792
  224   2HO*    A  23          2HO*        A  23  22.086 -19.178   4.776
  225    H1*    A  23           H1*        A  23  22.011 -16.177   5.848
  226    H8     A  23           H8         A  23  18.982 -16.243   8.319
  227   1H6     A  23          1H6         A  23  21.523 -14.101  12.079
  228   2H6     A  23          2H6         A  23  23.127 -13.505  12.102
  229    H2     A  23           H2         A  23  25.150 -14.745   8.277
  230   1H5*    A  24          1H5*        A  24  22.578 -22.434   4.483
  231   2H5*    A  24          2H5*        A  24  21.488 -23.275   5.599
  232    H4*    A  24           H4*        A  24  23.907 -23.461   6.394
  233    H3*    A  24           H3*        A  24  22.011 -22.364   8.374
  234    H2*    A  24           H2*        A  24  23.994 -22.286   9.752
  235   2HO*    A  24          2HO*        A  24  25.844 -23.372   8.943
  236    H1*    A  24           H1*        A  24  25.831 -21.721   7.906
  237    H8     A  24           H8         A  24  23.024 -20.316   9.907
  238   1H6     A  24          1H6         A  24  26.386 -15.161  10.372
  239   2H6     A  24          2H6         A  24  25.079 -16.085  11.075
  240    H2     A  24           H2         A  24  28.146 -17.735   7.104
  241   1H5*    C  25          1H5*        C  25  20.376 -25.832  10.393
  242   2H5*    C  25          2H5*        C  25  21.561 -24.666   9.864
  243    H4*    C  25           H4*        C  25  22.255 -26.131  11.680
  244    H3*    C  25           H3*        C  25  23.859 -25.406   9.478
  245    H2*    C  25           H2*        C  25  23.801 -27.294   8.350
  246   2HO*    C  25          2HO*        C  25  25.823 -28.273  10.063
  247    H1*    C  25           H1*        C  25  24.087 -28.993  10.800
  248   1H4     C  25          1H4         C  25  22.689 -33.350   6.412
  249   2H4     C  25          2H4         C  25  21.112 -32.620   6.213
  250    H5     C  25           H5         C  25  20.391 -30.741   7.583
  251    H6     C  25           H6         C  25  21.293 -28.680   8.674
  252   1H5*    A  26          1H5*        A  26  27.046 -22.986  12.396
  253   2H5*    A  26          2H5*        A  26  25.814 -23.500  11.232
  254    H4*    A  26           H4*        A  26  27.866 -24.228   9.771
  255    H3*    A  26           H3*        A  26  29.179 -22.713  11.928
  256    H2*    A  26           H2*        A  26  29.939 -20.919  10.752
  257   2HO*    A  26          2HO*        A  26  30.330 -21.212   8.387
  258    H1*    A  26           H1*        A  26  28.274 -20.811   8.540
  259    H8     A  26           H8         A  26  25.956 -20.909  11.335
  260   1H6     A  26          1H6         A  26  27.507 -15.181  12.900
  261   2H6     A  26          2H6         A  26  26.392 -16.498  13.176
  262    H2     A  26           H2         A  26  30.438 -16.623   9.808
  263   1H5*    C  27          1H5*        C  27  32.550 -23.625  10.089
  264   2H5*    C  27          2H5*        C  27  33.477 -25.069   9.585
  265    H4*    C  27           H4*        C  27  35.182 -24.553  11.003
  266    H3*    C  27           H3*        C  27  33.379 -25.130  13.087
  267    H2*    C  27           H2*        C  27  32.699 -23.131  13.700
  268   2HO*    C  27          2HO*        C  27  34.052 -23.610  15.392
  269    H1*    C  27           H1*        C  27  35.069 -21.663  13.005
  270   1H4     C  27          1H4         C  27  31.983 -16.750  13.486
  271   2H4     C  27          2H4         C  27  32.348 -16.590  11.784
  272    H5     C  27           H5         C  27  33.902 -18.754  10.776
  273    H6     C  27           H6         C  27  32.977 -20.873  10.406
  274   1H5*    C  28          1H5*        C  28  37.237 -23.211  13.725
  275   2H5*    C  28          2H5*        C  28  38.335 -23.938  14.916
  276    H4*    C  28           H4*        C  28  38.683 -21.516  14.820
  277    H3*    C  28           H3*        C  28  37.450 -22.748  17.226
  278    H2*    C  28           H2*        C  28  37.039 -20.750  18.281
  279   2HO*    C  28          2HO*        C  28  39.065 -19.899  18.317
  280    H1*    C  28           H1*        C  28  36.771 -19.075  15.958
  281   1H4     C  28          1H4         C  28  30.744 -20.483  18.036
  282   2H4     C  28          2H4         C  28  31.171 -19.006  18.883
  283    H5     C  28           H5         C  28  32.126 -21.588  16.608
  284    H6     C  28           H6         C  28  34.379 -21.855  15.555
  285   1H5*    G  29          1H5*        G  29  40.333 -21.112  19.331
  286   2H5*    G  29          2H5*        G  29  41.011 -22.044  20.676
  287    H4*    G  29           H4*        G  29  39.565 -20.045  21.285
  288    H3*    G  29           H3*        G  29  38.292 -22.653  22.203
  289    H2*    G  29           H2*        G  29  36.743 -21.272  23.317
  290   2HO*    G  29          2HO*        G  29  37.066 -19.029  23.499
  291    H1*    G  29           H1*        G  29  36.586 -19.386  21.250
  292    H8     G  29           H8         G  29  36.219 -22.577  19.281
  293    H1     G  29           H1         G  29  30.683 -20.134  21.373
  294   1H2     G  29          1H2         G  29  32.878 -18.336  23.700
  295   2H2     G  29          2H2         G  29  31.239 -18.613  23.158
  296   1H5*    G  30          1H5*        G  30  39.211 -20.733  25.460
  297   2H5*    G  30          2H5*        G  30  39.242 -21.427  27.092
  298    H4*    G  30           H4*        G  30  37.122 -20.220  26.352
  299    H3*    G  30           H3*        G  30  37.050 -23.084  27.303
  300    H2*    G  30           H2*        G  30  34.798 -23.255  26.783
  301   2HO*    G  30          2HO*        G  30  33.445 -21.330  26.896
  302    H1*    G  30           H1*        G  30  34.785 -20.807  25.199
  303    H8     G  30           H8         G  30  36.084 -23.257  22.625
  304    H1     G  30           H1         G  30  29.709 -23.033  22.992
  305   1H2     G  30          1H2         G  30  30.163 -21.594  26.154
  306   2H2     G  30          2H2         G  30  29.050 -22.137  24.916
  Start of MODEL   16
    1   1H5*    A   3          1H5*        A   3  25.963  -3.263  26.145
    2   2H5*    A   3          2H5*        A   3  24.341  -3.559  26.861
    3    H4*    A   3           H4*        A   3  23.928  -2.078  25.170
    4    H3*    A   3           H3*        A   3  23.668  -4.700  23.511
    5    H2*    A   3           H2*        A   3  23.020  -3.385  21.715
    6   2HO*    A   3          2HO*        A   3  22.200  -1.395  21.872
    7    H1*    A   3           H1*        A   3  25.184  -1.572  22.067
    8    H8     A   3           H8         A   3  27.000  -4.310  22.498
    9   1H6     A   3          1H6         A   3  27.794  -5.412  17.913
   10   2H6     A   3          2H6         A   3  26.919  -5.081  16.408
   11    H2     A   3           H2         A   3  23.303  -2.688  17.586
   12   1H5*    G   4          1H5*        G   4  20.537  -3.919  23.028
   13   2H5*    G   4          2H5*        G   4  18.960  -4.647  23.392
   14    H4*    G   4           H4*        G   4  19.047  -4.493  21.064
   15    H3*    G   4           H3*        G   4  20.555  -7.274  21.225
   16    H2*    G   4           H2*        G   4  20.411  -7.265  18.808
   17   2HO*    G   4          2HO*        G   4  19.294  -5.603  17.745
   18    H1*    G   4           H1*        G   4  21.123  -4.659  18.649
   19    H8     G   4           H8         G   4  23.577  -5.835  21.080
   20    H1     G   4           H1         G   4  24.639  -7.070  14.833
   21   1H2     G   4          1H2         G   4  21.076  -6.421  14.825
   22   2H2     G   4          2H2         G   4  22.483  -6.831  13.887
   23   1H5*    U   5          1H5*        U   5  16.462  -9.077  19.813
   24   2H5*    U   5          2H5*        U   5  16.556 -10.790  20.066
   25    H4*    U   5           H4*        U   5  16.392  -9.745  17.606
   26    H3*    U   5           H3*        U   5  18.715 -11.778  17.915
   27    H2*    U   5           H2*        U   5  18.844 -11.606  15.576
   28   2HO*    U   5          2HO*        U   5  16.446 -10.080  15.855
   29    H1*    U   5           H1*        U   5  18.990  -8.991  15.597
   30    H3     U   5           H3         U   5  23.158 -10.228  14.998
   31    H5     U   5           H5         U   5  22.721  -9.395  19.129
   32    H6     U   5           H6         U   5  20.285  -9.462  18.809
   33   1H5*    G   6          1H5*        G   6  16.468 -13.165  15.585
   34   2H5*    G   6          2H5*        G   6  15.815 -14.760  15.157
   35    H4*    G   6           H4*        G   6  17.380 -14.118  13.481
   36    H3*    G   6           H3*        G   6  18.604 -16.061  15.434
   37    H2*    G   6           H2*        G   6  20.604 -16.003  14.192
   38   2HO*    G   6          2HO*        G   6  18.863 -15.499  12.126
   39    H1*    G   6           H1*        G   6  20.373 -13.465  13.284
   40    H8     G   6           H8         G   6  20.414 -13.131  17.046
   41    H1     G   6           H1         G   6  26.133 -13.219  14.173
   42   1H2     G   6          1H2         G   6  24.377 -14.725  11.504
   43   2H2     G   6          2H2         G   6  25.905 -14.144  12.136
   44   1H5*    G   7          1H5*        G   7  19.794 -19.835  15.678
   45   2H5*    G   7          2H5*        G   7  19.347 -18.157  16.018
   46    H4*    G   7           H4*        G   7  20.908 -18.114  13.628
   47    H3*    G   7           H3*        G   7  21.919 -20.294  15.344
   48    H2*    G   7           H2*        G   7  23.628 -19.154  16.228
   49   2HO*    G   7          2HO*        G   7  24.167 -19.109  13.510
   50    H1*    G   7           H1*        G   7  23.405 -16.821  14.641
   51    H8     G   7           H8         G   7  21.799 -16.040  17.850
   52    H1     G   7           H1         G   7  28.120 -14.876  17.530
   53   1H2     G   7          1H2         G   7  27.916 -17.176  14.796
   54   2H2     G   7          2H2         G   7  28.924 -16.132  15.774
   55   1H5*   CH   8          1H5*       CH   8  23.776 -23.893  13.860
   56   2H5*   CH   8          2H5*       CH   8  23.698 -23.597  15.616
   57    H4*   CH   8           H4*       CH   8  26.001 -22.818  13.688
   58    H3*   CH   8           H3*       CH   8  25.725 -23.799  16.721
   59    H2*   CH   8           H2*       CH   8  27.944 -22.909  16.953
   60   2HO*   CH   8          2HO*       CH   8  29.165 -22.277  14.902
   61    H1*   CH   8           H1*       CH   8  27.748 -21.210  14.929
   62    HN3   CH   8           HN3       CH   8  29.948 -18.758  17.829
   63   1H4    CH   8          1H4        CH   8  29.585 -17.475  19.159
   64   2H4    CH   8          2H4        CH   8  28.164 -17.003  20.034
   65    H5    CH   8           H5        CH   8  26.006 -18.767  19.384
   66    H6    CH   8           H6        CH   8  25.421 -20.490  17.647
   67   1H5*    G   9          1H5*        G   9  25.241 -25.710  18.091
   68   2H5*    G   9          2H5*        G   9  23.954 -26.883  17.715
   69    H4*    G   9           H4*        G   9  23.643 -23.908  18.367
   70    H3*    G   9           H3*        G   9  24.039 -26.100  20.098
   71    H2*    G   9           H2*        G   9  22.022 -27.072  19.791
   72   2HO*    G   9          2HO*        G   9  21.683 -25.059  21.685
   73    H1*    G   9           H1*        G   9  20.511 -24.572  19.263
   74    H8     G   9           H8         G   9  21.110 -27.290  16.714
   75    H1     G   9           H1         G   9  15.485 -27.841  19.665
   76   1H2     G   9          1H2         G   9  16.735 -25.416  21.837
   77   2H2     G   9          2H2         G   9  15.403 -26.466  21.407
   78   1H5*    C  10          1H5*        C  10  20.941 -23.619  23.300
   79   2H5*    C  10          2H5*        C  10  20.667 -21.813  23.334
   80    H4*    C  10           H4*        C  10  21.723 -22.641  25.495
   81    H3*    C  10           H3*        C  10  23.595 -20.835  23.814
   82    H2*    C  10           H2*        C  10  25.152 -20.915  25.369
   83   2HO*    C  10          2HO*        C  10  24.851 -21.705  27.372
   84    H1*    C  10           H1*        C  10  25.121 -23.587  25.531
   85   1H4     C  10          1H4         C  10  27.894 -23.917  19.723
   86   2H4     C  10          2H4         C  10  29.186 -23.327  20.766
   87    H5     C  10           H5         C  10  25.567 -23.964  20.391
   88    H6     C  10           H6         C  10  24.060 -23.774  22.173
   89   1H5*    C  11          1H5*        C  11  23.734 -16.328  27.569
   90   2H5*    C  11          2H5*        C  11  23.366 -16.139  25.833
   91    H4*    C  11           H4*        C  11  25.862 -17.408  27.216
   92    H3*    C  11           H3*        C  11  26.053 -15.152  25.085
   93    H2*    C  11           H2*        C  11  27.920 -16.095  24.371
   94   2HO*    C  11          2HO*        C  11  28.370 -16.273  27.059
   95    H1*    C  11           H1*        C  11  27.602 -18.625  25.683
   96   1H4     C  11          1H4         C  11  28.026 -20.829  19.822
   97   2H4     C  11          2H4         C  11  29.614 -20.401  20.256
   98    H5     C  11           H5         C  11  25.991 -20.135  21.109
   99    H6     C  11           H6         C  11  25.363 -18.797  22.937
  100   1H5*    G  12          1H5*        G  12  27.882 -11.157  25.582
  101   2H5*    G  12          2H5*        G  12  27.544 -12.561  24.477
  102    H4*    G  12           H4*        G  12  30.321 -11.769  25.678
  103    H3*    G  12           H3*        G  12  29.474 -10.543  22.952
  104    H2*    G  12           H2*        G  12  31.230 -11.349  21.898
  105   2HO*    G  12          2HO*        G  12  32.432 -10.818  24.295
  106    H1*    G  12           H1*        G  12  32.099 -13.370  23.268
  107    H8     G  12           H8         G  12  28.622 -14.367  22.574
  108    H1     G  12           H1         G  12  33.197 -16.572  18.657
  109   1H2     G  12          1H2         G  12  35.244 -14.156  20.205
  110   2H2     G  12          2H2         G  12  35.135 -15.474  19.046
  111   1H5*    A  13          1H5*        A  13  33.383  -7.589  21.727
  112   2H5*    A  13          2H5*        A  13  32.404  -8.564  20.621
  113    H4*    A  13           H4*        A  13  34.600  -8.889  19.879
  114    H3*    A  13           H3*        A  13  33.288 -11.079  21.164
  115    H2*    A  13           H2*        A  13  34.879 -11.884  22.578
  116   2HO*    A  13          2HO*        A  13  35.934 -12.211  20.107
  117    H1*    A  13           H1*        A  13  37.158 -10.257  21.900
  118    H8     A  13           H8         A  13  34.348 -10.850  24.524
  119   1H6     A  13          1H6         A  13  36.811  -9.482  28.410
  120   2H6     A  13          2H6         A  13  38.384  -8.754  28.642
  121    H2     A  13           H2         A  13  40.172  -8.191  24.558
  122   1H5*    C  14          1H5*        C  14  36.186 -13.408  18.450
  123   2H5*    C  14          2H5*        C  14  37.265 -13.062  17.107
  124    H4*    C  14           H4*        C  14  36.224 -14.943  16.311
  125    H3*    C  14           H3*        C  14  34.482 -12.602  15.498
  126    H2*    C  14           H2*        C  14  32.751 -14.121  14.741
  127   2HO*    C  14          2HO*        C  14  33.202 -16.241  14.345
  128    H1*    C  14           H1*        C  14  33.148 -16.003  16.537
  129   1H4     C  14          1H4         C  14  29.268 -12.431  20.203
  130   2H4     C  14          2H4         C  14  28.210 -13.458  19.276
  131    H5     C  14           H5         C  14  31.650 -12.224  19.693
  132    H6     C  14           H6         C  14  33.405 -12.931  18.155
  133   1H5*    C  15          1H5*        C  15  34.651 -14.713  11.352
  134   2H5*    C  15          2H5*        C  15  34.608 -13.294  10.305
  135    H4*    C  15           H4*        C  15  32.867 -15.188  10.011
  136    H3*    C  15           H3*        C  15  32.181 -12.269   9.909
  137    H2*    C  15           H2*        C  15  29.953 -12.766   9.599
  138   2HO*    C  15          2HO*        C  15  29.493 -14.740   8.859
  139    H1*    C  15           H1*        C  15  29.786 -15.108  11.079
  140   1H4     C  15          1H4         C  15  28.807 -11.629  16.432
  141   2H4     C  15          2H4         C  15  27.228 -12.185  15.944
  142    H5     C  15           H5         C  15  30.716 -11.808  15.188
  143    H6     C  15           H6         C  15  31.750 -12.560  13.058
  144   1H5*    A  16          1H5*        A  16  29.071 -12.432   5.687
  145   2H5*    A  16          2H5*        A  16  29.509 -11.138   6.781
  146    H4*    A  16           H4*        A  16  27.057 -12.748   6.605
  147    H3*    A  16           H3*        A  16  27.504  -9.927   7.655
  148    H2*    A  16           H2*        A  16  25.345 -10.295   8.925
  149   2HO*    A  16          2HO*        A  16  24.994 -12.218   6.805
  150    H1*    A  16           H1*        A  16  25.561 -12.775   9.315
  151    H8     A  16           H8         A  16  28.781 -11.176  10.567
  152   1H6     A  16          1H6         A  16  27.205 -10.272  15.039
  153   2H6     A  16          2H6         A  16  25.591 -10.113  15.750
  154    H2     A  16           H2         A  16  22.669 -10.938  12.522
  155   1H5*    C  17          1H5*        C  17  24.319  -9.770   6.225
  156   2H5*    C  17          2H5*        C  17  23.569  -8.398   5.405
  157    H4*    C  17           H4*        C  17  22.411  -8.884   7.495
  158    H3*    C  17           H3*        C  17  24.033  -6.335   7.558
  159    H2*    C  17           H2*        C  17  23.179  -5.910   9.720
  160   2HO*    C  17          2HO*        C  17  21.391  -7.187  10.510
  161    H1*    C  17           H1*        C  17  22.836  -8.530  10.357
  162   1H4     C  17          1H4         C  17  28.142  -7.869  13.922
  163   2H4     C  17          2H4         C  17  26.772  -7.445  14.887
  164    H5     C  17           H5         C  17  27.966  -8.116  11.261
  165    H6     C  17           H6         C  17  26.327  -8.290   9.518
  166   1H5*    U  18          1H5*        U  18  20.915  -2.660   7.827
  167   2H5*    U  18          2H5*        U  18  22.451  -2.008   8.351
  168    H4*    U  18           H4*        U  18  20.330  -3.574   9.886
  169    H3*    U  18           H3*        U  18  21.178  -0.914  10.172
  170    H2*    U  18           H2*        U  18  22.845  -1.347  11.930
  171   2HO*    U  18          2HO*        U  18  20.204  -1.470  12.782
  172    H1*    U  18           H1*        U  18  21.400  -3.645  12.732
  173    H3     U  18           H3         U  18  24.861  -3.922  15.661
  174    H5     U  18           H5         U  18  26.172  -5.144  11.867
  175    H6     U  18           H6         U  18  24.286  -4.136  10.940
  176   1H5*    U  19          1H5*        U  19  17.498  -2.759  12.011
  177   2H5*    U  19          2H5*        U  19  16.097  -1.766  11.596
  178    H4*    U  19           H4*        U  19  15.693  -2.786  13.865
  179    H3*    U  19           H3*        U  19  15.355   0.005  13.678
  180    H2*    U  19           H2*        U  19  17.863   0.367  14.406
  181   2HO*    U  19          2HO*        U  19  16.311   0.491  16.803
  182    H1*    U  19           H1*        U  19  16.925  -1.502  16.539
  183    H3     U  19           H3         U  19  20.579  -0.956  19.132
  184    H5     U  19           H5         U  19  22.108  -0.532  15.210
  185    H6     U  19           H6         U  19  19.918  -0.807  14.403
  186   1H5*    A  20          1H5*        A  20  12.787  -1.752  12.328
  187   2H5*    A  20          2H5*        A  20  11.405  -2.578  13.065
  188    H4*    A  20           H4*        A  20  12.679  -3.823  11.129
  189    H3*    A  20           H3*        A  20  12.250  -5.010  13.922
  190    H2*    A  20           H2*        A  20  13.226  -7.009  13.238
  191   2HO*    A  20          2HO*        A  20  12.728  -5.975  10.612
  192    H1*    A  20           H1*        A  20  15.050  -5.851  11.459
  193    H8     A  20           H8         A  20  14.090  -6.313  15.141
  194   1H6     A  20          1H6         A  20  20.089  -6.727  16.346
  195   2H6     A  20          2H6         A  20  18.477  -6.926  16.994
  196    H2     A  20           H2         A  20  19.656  -5.567  12.060
  197   1H5*    A  21          1H5*        A  21  10.076  -8.828  11.838
  198   2H5*    A  21          2H5*        A  21  11.240  -7.733  12.615
  199    H4*    A  21           H4*        A  21  12.156  -9.483  10.270
  200    H3*    A  21           H3*        A  21  11.627 -10.561  13.033
  201    H2*    A  21           H2*        A  21  13.782 -10.967  13.216
  202   2HO*    A  21          2HO*        A  21  14.012 -12.273  10.693
  203    H1*    A  21           H1*        A  21  14.298  -9.978  10.317
  204    H8     A  21           H8         A  21  15.535  -9.924  14.041
  205   1H6     A  21          1H6         A  21  20.838  -7.693  11.943
  206   2H6     A  21          2H6         A  21  19.892  -8.045  13.370
  207    H2     A  21           H2         A  21  18.338  -8.771   8.407
  208   1H5*    A  22          1H5*        A  22  12.533 -15.090   8.878
  209   2H5*    A  22          2H5*        A  22  14.018 -14.951   9.832
  210    H4*    A  22           H4*        A  22  13.249 -13.139   7.460
  211    H3*    A  22           H3*        A  22  15.216 -15.378   8.035
  212    H2*    A  22           H2*        A  22  17.043 -14.258   7.468
  213   2HO*    A  22          2HO*        A  22  15.431 -13.307   5.336
  214    H1*    A  22           H1*        A  22  15.888 -11.628   7.102
  215    H8     A  22           H8         A  22  16.256 -12.259  10.653
  216   1H6     A  22          1H6         A  22  20.964 -11.211  11.310
  217   2H6     A  22          2H6         A  22  22.248 -10.864  10.176
  218    H2     A  22           H2         A  22  20.644 -11.170   6.196
  219   1H5*    A  23          1H5*        A  23  16.716 -14.948   4.604
  220   2H5*    A  23          2H5*        A  23  16.465 -16.395   3.606
  221    H4*    A  23           H4*        A  23  18.746 -16.163   3.437
  222    H3*    A  23           H3*        A  23  18.494 -17.672   6.118
  223    H2*    A  23           H2*        A  23  21.084 -17.835   5.970
  224   2HO*    A  23          2HO*        A  23  21.133 -18.148   3.790
  225    H1*    A  23           H1*        A  23  21.251 -15.168   5.186
  226    H8     A  23           H8         A  23  18.622 -15.687   8.027
  227   1H6     A  23          1H6         A  23  21.525 -14.110  11.687
  228   2H6     A  23          2H6         A  23  23.186 -13.592  11.675
  229    H2     A  23           H2         A  23  24.747 -14.009   7.507
  230   1H5*    A  24          1H5*        A  24  21.964 -21.508   3.733
  231   2H5*    A  24          2H5*        A  24  20.898 -22.300   4.913
  232    H4*    A  24           H4*        A  24  23.485 -22.218   5.557
  233    H3*    A  24           H3*        A  24  21.296 -21.931   7.433
  234    H2*    A  24           H2*        A  24  22.478 -20.551   8.674
  235   2HO*    A  24          2HO*        A  24  24.415 -21.353   9.563
  236    H1*    A  24           H1*        A  24  24.968 -20.658   7.009
  237    H8     A  24           H8         A  24  22.430 -18.373   8.959
  238   1H6     A  24          1H6         A  24  27.232 -14.773   9.789
  239   2H6     A  24          2H6         A  24  25.628 -15.198  10.308
  240    H2     A  24           H2         A  24  28.216 -17.541   6.406
  241   1H5*    C  25          1H5*        C  25  20.062 -25.519   8.276
  242   2H5*    C  25          2H5*        C  25  21.162 -24.218   8.741
  243    H4*    C  25           H4*        C  25  20.984 -25.542  10.660
  244    H3*    C  25           H3*        C  25  23.330 -26.633   9.081
  245    H2*    C  25           H2*        C  25  23.615 -28.103  10.943
  246   2HO*    C  25          2HO*        C  25  23.563 -26.833  12.672
  247    H1*    C  25           H1*        C  25  20.938 -28.348  11.563
  248   1H4     C  25          1H4         C  25  22.361 -33.244   7.361
  249   2H4     C  25          2H4         C  25  22.170 -33.986   8.933
  250    H5     C  25           H5         C  25  22.161 -30.853   6.997
  251    H6     C  25           H6         C  25  22.136 -28.685   8.105
  252   1H5*    A  26          1H5*        A  26  27.841 -25.445  10.714
  253   2H5*    A  26          2H5*        A  26  27.433 -23.861  11.342
  254    H4*    A  26           H4*        A  26  28.381 -24.606   8.567
  255    H3*    A  26           H3*        A  26  29.499 -23.230  10.920
  256    H2*    A  26           H2*        A  26  30.034 -21.230   9.962
  257   2HO*    A  26          2HO*        A  26  31.420 -21.915   8.415
  258    H1*    A  26           H1*        A  26  28.269 -21.005   7.867
  259    H8     A  26           H8         A  26  26.091 -21.789  10.702
  260   1H6     A  26          1H6         A  26  26.350 -17.687  13.349
  261   2H6     A  26          2H6         A  26  27.357 -16.270  13.201
  262    H2     A  26           H2         A  26  30.140 -16.957   9.769
  263   1H5*    C  27          1H5*        C  27  33.074 -23.167   8.995
  264   2H5*    C  27          2H5*        C  27  34.410 -24.097   9.697
  265    H4*    C  27           H4*        C  27  35.093 -21.739   9.594
  266    H3*    C  27           H3*        C  27  34.197 -22.057  12.419
  267    H2*    C  27           H2*        C  27  35.100 -19.882  12.663
  268   2HO*    C  27          2HO*        C  27  37.046 -20.171  11.674
  269    H1*    C  27           H1*        C  27  34.389 -19.138   9.989
  270   1H4     C  27          1H4         C  27  30.768 -15.244  13.289
  271   2H4     C  27          2H4         C  27  29.620 -16.514  13.650
  272    H5     C  27           H5         C  27  30.127 -18.747  13.398
  273    H6     C  27           H6         C  27  31.400 -20.398  11.960
  274   1H5*    C  28          1H5*        C  28  38.756 -21.974  15.176
  275   2H5*    C  28          2H5*        C  28  37.215 -21.276  15.681
  276    H4*    C  28           H4*        C  28  39.719 -19.823  14.757
  277    H3*    C  28           H3*        C  28  38.400 -20.394  17.320
  278    H2*    C  28           H2*        C  28  37.851 -18.309  18.026
  279   2HO*    C  28          2HO*        C  28  39.141 -16.549  17.681
  280    H1*    C  28           H1*        C  28  37.619 -16.780  15.743
  281   1H4     C  28          1H4         C  28  32.033 -20.058  17.334
  282   2H4     C  28          2H4         C  28  32.009 -18.645  18.373
  283    H5     C  28           H5         C  28  33.716 -20.599  15.907
  284    H6     C  28           H6         C  28  35.811 -19.864  14.744
  285   1H5*    G  29          1H5*        G  29  40.414 -18.699  19.090
  286   2H5*    G  29          2H5*        G  29  41.333 -19.212  20.518
  287    H4*    G  29           H4*        G  29  39.337 -17.901  21.105
  288    H3*    G  29           H3*        G  29  38.810 -20.817  21.746
  289    H2*    G  29           H2*        G  29  36.885 -20.037  22.858
  290   2HO*    G  29          2HO*        G  29  38.435 -17.791  23.180
  291    H1*    G  29           H1*        G  29  36.517 -17.876  21.014
  292    H8     G  29           H8         G  29  36.338 -20.782  18.623
  293    H1     G  29           H1         G  29  30.760 -19.475  21.583
  294   1H2     G  29          1H2         G  29  32.974 -17.788  23.975
  295   2H2     G  29          2H2         G  29  31.328 -18.195  23.548
  296   1H5*    G  30          1H5*        G  30  38.824 -18.971  25.030
  297   2H5*    G  30          2H5*        G  30  38.986 -19.685  26.644
  298    H4*    G  30           H4*        G  30  36.700 -18.873  25.945
  299    H3*    G  30           H3*        G  30  37.105 -21.755  26.760
  300    H2*    G  30           H2*        G  30  34.919 -22.254  26.203
  301   2HO*    G  30          2HO*        G  30  33.251 -20.645  26.474
  302    H1*    G  30           H1*        G  30  34.529 -19.683  24.851
  303    H8     G  30           H8         G  30  35.830 -21.755  21.976
  304    H1     G  30           H1         G  30  29.552 -22.463  23.041
  305   1H2     G  30          1H2         G  30  30.195 -21.225  26.256
  306   2H2     G  30          2H2         G  30  29.015 -21.818  25.105
  Start of MODEL   17
    1   1H5*    A   3          1H5*        A   3  24.712  -5.571  26.907
    2   2H5*    A   3          2H5*        A   3  23.280  -5.046  27.774
    3    H4*    A   3           H4*        A   3  22.792  -3.743  26.072
    4    H3*    A   3           H3*        A   3  22.175  -6.312  24.417
    5    H2*    A   3           H2*        A   3  21.743  -5.012  22.566
    6   2HO*    A   3          2HO*        A   3  21.074  -2.965  22.617
    7    H1*    A   3           H1*        A   3  23.987  -3.195  23.027
    8    H8     A   3           H8         A   3  25.700  -6.025  23.212
    9   1H6     A   3          1H6         A   3  26.966  -6.387  18.703
   10   2H6     A   3          2H6         A   3  26.300  -5.805  17.170
   11    H2     A   3           H2         A   3  22.556  -3.533  18.276
   12   1H5*    G   4          1H5*        G   4  19.194  -5.221  23.683
   13   2H5*    G   4          2H5*        G   4  17.661  -6.102  23.807
   14    H4*    G   4           H4*        G   4  18.121  -5.631  21.526
   15    H3*    G   4           H3*        G   4  19.388  -8.542  21.600
   16    H2*    G   4           H2*        G   4  19.568  -8.323  19.221
   17   2HO*    G   4          2HO*        G   4  18.688  -6.507  18.153
   18    H1*    G   4           H1*        G   4  20.395  -5.701  19.364
   19    H8     G   4           H8         G   4  22.615  -7.282  21.850
   20    H1     G   4           H1         G   4  24.190  -7.808  15.623
   21   1H2     G   4          1H2         G   4  20.684  -7.034  15.371
   22   2H2     G   4          2H2         G   4  22.160  -7.399  14.520
   23   1H5*    U   5          1H5*        U   5  15.880  -8.654  19.448
   24   2H5*    U   5          2H5*        U   5  14.673  -9.938  19.391
   25    H4*    U   5           H4*        U   5  15.493  -9.379  17.139
   26    H3*    U   5           H3*        U   5  16.802 -12.075  17.867
   27    H2*    U   5           H2*        U   5  17.338 -11.987  15.488
   28   2HO*    U   5          2HO*        U   5  15.273 -10.287  15.486
   29    H1*    U   5           H1*        U   5  18.127  -9.517  15.638
   30    H3     U   5           H3         U   5  22.226 -10.953  15.169
   31    H5     U   5           H5         U   5  21.544 -10.641  19.317
   32    H6     U   5           H6         U   5  19.152 -10.454  18.843
   33   1H5*    G   6          1H5*        G   6  16.307 -13.988  13.243
   34   2H5*    G   6          2H5*        G   6  15.507 -15.230  14.301
   35    H4*    G   6           H4*        G   6  17.610 -15.944  13.686
   36    H3*    G   6           H3*        G   6  16.765 -15.370  16.455
   37    H2*    G   6           H2*        G   6  18.445 -13.715  16.261
   38   2HO*    G   6          2HO*        G   6  18.606 -14.058  18.116
   39    H1*    G   6           H1*        G   6  19.995 -15.696  14.671
   40    H8     G   6           H8         G   6  20.549 -13.659  17.710
   41    H1     G   6           H1         G   6  25.970 -13.816  14.415
   42   1H2     G   6          1H2         G   6  24.169 -14.741  11.571
   43   2H2     G   6          2H2         G   6  25.722 -14.349  12.289
   44   1H5*    G   7          1H5*        G   7  20.204 -19.385  16.221
   45   2H5*    G   7          2H5*        G   7  19.667 -17.681  16.043
   46    H4*    G   7           H4*        G   7  20.632 -18.271  13.546
   47    H3*    G   7           H3*        G   7  21.998 -20.209  15.247
   48    H2*    G   7           H2*        G   7  23.774 -18.921  15.999
   49   2HO*    G   7          2HO*        G   7  24.081 -18.856  13.215
   50    H1*    G   7           H1*        G   7  23.484 -16.640  14.555
   51    H8     G   7           H8         G   7  21.514 -16.148  17.702
   52    H1     G   7           H1         G   7  27.945 -15.259  17.882
   53   1H2     G   7          1H2         G   7  27.677 -17.249  14.882
   54   2H2     G   7          2H2         G   7  28.716 -16.387  15.992
   55   1H5*   CH   8          1H5*       CH   8  22.405 -22.359  14.806
   56   2H5*   CH   8          2H5*       CH   8  22.985 -23.917  14.149
   57    H4*   CH   8           H4*       CH   8  25.222 -22.505  13.507
   58    H3*   CH   8           H3*       CH   8  24.865 -23.632  16.487
   59    H2*   CH   8           H2*       CH   8  27.132 -22.870  16.677
   60   2HO*   CH   8          2HO*       CH   8  27.157 -23.128  13.779
   61    H1*   CH   8           H1*       CH   8  26.959 -21.065  14.780
   62    HN3   CH   8           HN3       CH   8  29.481 -19.102  17.821
   63   1H4    CH   8          1H4        CH   8  29.265 -17.928  19.283
   64   2H4    CH   8          2H4        CH   8  27.897 -17.432  20.234
   65    H5    CH   8           H5        CH   8  25.589 -18.859  19.509
   66    H6    CH   8           H6        CH   8  24.772 -20.308  17.629
   67   1H5*    G   9          1H5*        G   9  22.122 -25.823  17.481
   68   2H5*    G   9          2H5*        G   9  22.219 -24.882  15.975
   69    H4*    G   9           H4*        G   9  22.970 -22.928  17.360
   70    H3*    G   9           H3*        G   9  23.492 -24.883  19.314
   71    H2*    G   9           H2*        G   9  21.426 -25.052  20.317
   72   2HO*    G   9          2HO*        G   9  22.564 -23.710  21.812
   73    H1*    G   9           H1*        G   9  20.362 -22.448  19.596
   74    H8     G   9           H8         G   9  18.417 -24.040  17.454
   75    H1     G   9           H1         G   9  17.325 -27.082  22.949
   76   1H2     G   9          1H2         G   9  20.352 -25.684  23.971
   77   2H2     G   9          2H2         G   9  18.983 -26.697  24.372
   78   1H5*    C  10          1H5*        C  10  21.856 -22.409  22.792
   79   2H5*    C  10          2H5*        C  10  22.072 -20.593  22.842
   80    H4*    C  10           H4*        C  10  22.682 -21.800  25.056
   81    H3*    C  10           H3*        C  10  24.885 -20.126  23.670
   82    H2*    C  10           H2*        C  10  26.392 -20.645  25.189
   83   2HO*    C  10          2HO*        C  10  24.176 -21.736  26.622
   84    H1*    C  10           H1*        C  10  25.985 -23.249  25.058
   85   1H4     C  10          1H4         C  10  28.901 -23.248  19.345
   86   2H4     C  10          2H4         C  10  30.200 -22.987  20.507
   87    H5     C  10           H5         C  10  26.564 -23.067  19.914
   88    H6     C  10           H6         C  10  24.976 -22.862  21.643
   89   1H5*    C  11          1H5*        C  11  24.036 -15.833  27.073
   90   2H5*    C  11          2H5*        C  11  23.916 -16.784  25.566
   91    H4*    C  11           H4*        C  11  26.260 -17.011  27.551
   92    H3*    C  11           H3*        C  11  26.425 -15.066  25.151
   93    H2*    C  11           H2*        C  11  28.686 -15.529  25.171
   94   2HO*    C  11          2HO*        C  11  29.741 -16.395  26.952
   95    H1*    C  11           H1*        C  11  28.417 -18.178  26.086
   96   1H4     C  11          1H4         C  11  28.894 -20.117  20.157
   97   2H4     C  11          2H4         C  11  30.485 -19.908  20.711
   98    H5     C  11           H5         C  11  26.888 -19.258  21.333
   99    H6     C  11           H6         C  11  26.259 -18.004  23.218
  100   1H5*    G  12          1H5*        G  12  29.135 -13.280  27.237
  101   2H5*    G  12          2H5*        G  12  29.207 -11.512  26.951
  102    H4*    G  12           H4*        G  12  31.244 -12.727  26.110
  103    H3*    G  12           H3*        G  12  29.569 -11.835  23.690
  104    H2*    G  12           H2*        G  12  31.461 -12.356  22.518
  105   2HO*    G  12          2HO*        G  12  32.712 -12.189  24.975
  106    H1*    G  12           H1*        G  12  32.086 -14.479  23.795
  107    H8     G  12           H8         G  12  28.517 -15.129  23.014
  108    H1     G  12           H1         G  12  32.997 -17.204  18.898
  109   1H2     G  12          1H2         G  12  35.122 -15.140  20.754
  110   2H2     G  12          2H2         G  12  34.959 -16.302  19.447
  111   1H5*    A  13          1H5*        A  13  32.556  -8.499  21.879
  112   2H5*    A  13          2H5*        A  13  31.240  -9.393  21.118
  113    H4*    A  13           H4*        A  13  32.554 -10.140  19.376
  114    H3*    A  13           H3*        A  13  34.470 -10.830  21.416
  115    H2*    A  13           H2*        A  13  35.760  -8.948  21.286
  116   2HO*    A  13          2HO*        A  13  37.282  -9.123  19.425
  117    H1*    A  13           H1*        A  13  35.093  -8.380  18.405
  118    H8     A  13           H8         A  13  33.825  -5.921  20.657
  119   1H6     A  13          1H6         A  13  39.302  -3.145  21.006
  120   2H6     A  13          2H6         A  13  37.600  -3.010  21.386
  121    H2     A  13           H2         A  13  39.864  -7.096  18.939
  122   1H5*    C  14          1H5*        C  14  35.447 -13.643  18.804
  123   2H5*    C  14          2H5*        C  14  36.940 -14.001  18.042
  124    H4*    C  14           H4*        C  14  36.072 -15.418  16.597
  125    H3*    C  14           H3*        C  14  34.286 -13.105  15.847
  126    H2*    C  14           H2*        C  14  32.525 -14.627  15.114
  127   2HO*    C  14          2HO*        C  14  33.004 -16.719  14.571
  128    H1*    C  14           H1*        C  14  32.925 -16.582  16.794
  129   1H4     C  14          1H4         C  14  29.164 -13.162  20.788
  130   2H4     C  14          2H4         C  14  28.057 -14.021  19.745
  131    H5     C  14           H5         C  14  31.555 -13.070  20.287
  132    H6     C  14           H6         C  14  33.252 -13.724  18.738
  133   1H5*    C  15          1H5*        C  15  34.749 -13.332  10.809
  134   2H5*    C  15          2H5*        C  15  33.956 -11.767  10.866
  135    H4*    C  15           H4*        C  15  32.922 -14.187   9.863
  136    H3*    C  15           H3*        C  15  31.396 -11.687  10.656
  137    H2*    C  15           H2*        C  15  29.529 -12.741   9.856
  138   2HO*    C  15          2HO*        C  15  29.663 -14.391   8.648
  139    H1*    C  15           H1*        C  15  29.951 -15.217  11.082
  140   1H4     C  15          1H4         C  15  28.733 -12.723  16.863
  141   2H4     C  15          2H4         C  15  27.139 -13.153  16.361
  142    H5     C  15           H5         C  15  30.493 -12.687  15.732
  143    H6     C  15           H6         C  15  31.577 -13.021  13.600
  144   1H5*    A  16          1H5*        A  16  29.308 -12.443   7.097
  145   2H5*    A  16          2H5*        A  16  28.993 -10.878   6.510
  146    H4*    A  16           H4*        A  16  26.958 -12.247   6.738
  147    H3*    A  16           H3*        A  16  27.078  -9.714   8.372
  148    H2*    A  16           H2*        A  16  24.809 -10.354   9.271
  149   2HO*    A  16          2HO*        A  16  24.750 -11.920   6.844
  150    H1*    A  16           H1*        A  16  25.035 -12.906   9.185
  151    H8     A  16           H8         A  16  28.024 -11.682  11.057
  152   1H6     A  16          1H6         A  16  26.219 -11.345  15.377
  153   2H6     A  16          2H6         A  16  24.589 -11.140  16.037
  154    H2     A  16           H2         A  16  21.790 -11.254  12.564
  155   1H5*    C  17          1H5*        C  17  24.386  -9.375   6.653
  156   2H5*    C  17          2H5*        C  17  23.513  -7.946   6.078
  157    H4*    C  17           H4*        C  17  22.526  -8.829   8.130
  158    H3*    C  17           H3*        C  17  23.925  -6.175   8.349
  159    H2*    C  17           H2*        C  17  23.381  -6.082  10.635
  160   2HO*    C  17          2HO*        C  17  21.596  -7.371  11.439
  161    H1*    C  17           H1*        C  17  22.900  -8.755  10.842
  162   1H4     C  17          1H4         C  17  27.764  -8.644  14.987
  163   2H4     C  17          2H4         C  17  26.321  -8.285  15.857
  164    H5     C  17           H5         C  17  27.853  -8.572  12.302
  165    H6     C  17           H6         C  17  26.390  -8.495  10.427
  166   1H5*    U  18          1H5*        U  18  21.401  -1.958   8.355
  167   2H5*    U  18          2H5*        U  18  22.884  -2.864   8.436
  168    H4*    U  18           H4*        U  18  20.668  -2.587  10.497
  169    H3*    U  18           H3*        U  18  23.494  -1.916  10.942
  170    H2*    U  18           H2*        U  18  22.813  -1.263  12.931
  171   2HO*    U  18          2HO*        U  18  20.261  -1.465  11.833
  172    H1*    U  18           H1*        U  18  21.325  -3.534  13.235
  173    H3     U  18           H3         U  18  24.364  -4.500  16.359
  174    H5     U  18           H5         U  18  26.130  -5.174  12.608
  175    H6     U  18           H6         U  18  24.413  -3.975  11.688
  176   1H5*    U  19          1H5*        U  19  17.884  -1.428  10.458
  177   2H5*    U  19          2H5*        U  19  17.642   0.265  10.592
  178    H4*    U  19           H4*        U  19  16.626  -1.531  12.506
  179    H3*    U  19           H3*        U  19  16.562   1.222  12.794
  180    H2*    U  19           H2*        U  19  19.030   1.222  13.905
  181   2HO*    U  19          2HO*        U  19  16.715   1.304  15.586
  182    H1*    U  19           H1*        U  19  17.682  -0.991  15.414
  183    H3     U  19           H3         U  19  20.997  -1.481  18.406
  184    H5     U  19           H5         U  19  23.004  -0.266  14.886
  185    H6     U  19           H6         U  19  20.931  -0.156  13.803
  186   1H5*    A  20          1H5*        A  20  13.533  -0.786  10.828
  187   2H5*    A  20          2H5*        A  20  12.643  -1.897  11.889
  188    H4*    A  20           H4*        A  20  13.959  -2.570   9.461
  189    H3*    A  20           H3*        A  20  12.963  -4.243  11.823
  190    H2*    A  20           H2*        A  20  13.893  -6.136  11.064
  191   2HO*    A  20          2HO*        A  20  14.276  -6.530   8.960
  192    H1*    A  20           H1*        A  20  16.144  -4.979   9.906
  193    H8     A  20           H8         A  20  14.376  -5.830  13.204
  194   1H6     A  20          1H6         A  20  18.249  -6.104  16.077
  195   2H6     A  20          2H6         A  20  19.952  -5.816  15.811
  196    H2     A  20           H2         A  20  20.354  -4.596  11.464
  197   1H5*    A  21          1H5*        A  21  10.886  -8.065  10.641
  198   2H5*    A  21          2H5*        A  21  12.180  -7.392  11.643
  199    H4*    A  21           H4*        A  21  12.611  -9.488   9.406
  200    H3*    A  21           H3*        A  21  11.925  -9.786  12.297
  201    H2*    A  21           H2*        A  21  13.988 -10.546  13.012
  202   2HO*    A  21          2HO*        A  21  14.357 -12.052  10.688
  203    H1*    A  21           H1*        A  21  15.448 -10.576  10.634
  204    H8     A  21           H8         A  21  14.752  -8.568  13.838
  205   1H6     A  21          1H6         A  21  19.450  -7.508  14.711
  206   2H6     A  21          2H6         A  21  20.887  -7.698  13.732
  207    H2     A  21           H2         A  21  19.687  -9.743   9.979
  208   1H5*    A  22          1H5*        A  22  12.894 -14.786   8.614
  209   2H5*    A  22          2H5*        A  22  14.369 -14.811   9.565
  210    H4*    A  22           H4*        A  22  13.753 -12.831   7.290
  211    H3*    A  22           H3*        A  22  15.492 -15.286   7.682
  212    H2*    A  22           H2*        A  22  17.374 -14.313   6.973
  213   2HO*    A  22          2HO*        A  22  17.319 -12.793   5.190
  214    H1*    A  22           H1*        A  22  16.484 -11.571   6.906
  215    H8     A  22           H8         A  22  17.298 -12.959  10.306
  216   1H6     A  22          1H6         A  22  23.087 -11.225   9.152
  217   2H6     A  22          2H6         A  22  22.033 -11.916  10.363
  218    H2     A  22           H2         A  22  20.783 -10.562   5.580
  219   1H5*    A  23          1H5*        A  23  16.747 -14.904   4.483
  220   2H5*    A  23          2H5*        A  23  16.504 -16.236   3.336
  221    H4*    A  23           H4*        A  23  18.788 -16.083   3.275
  222    H3*    A  23           H3*        A  23  18.406 -17.773   5.822
  223    H2*    A  23           H2*        A  23  20.982 -18.050   5.704
  224   2HO*    A  23          2HO*        A  23  20.411 -17.610   3.188
  225    H1*    A  23           H1*        A  23  21.257 -15.325   5.159
  226    H8     A  23           H8         A  23  18.542 -15.942   7.884
  227   1H6     A  23          1H6         A  23  21.389 -14.658  11.682
  228   2H6     A  23          2H6         A  23  23.005 -14.075  11.724
  229    H2     A  23           H2         A  23  24.719 -14.440   7.570
  230   1H5*    A  24          1H5*        A  24  22.040 -21.303   3.669
  231   2H5*    A  24          2H5*        A  24  21.058 -22.195   4.842
  232    H4*    A  24           H4*        A  24  23.551 -21.943   5.482
  233    H3*    A  24           H3*        A  24  21.363 -21.666   7.355
  234    H2*    A  24           H2*        A  24  22.535 -20.275   8.634
  235   2HO*    A  24          2HO*        A  24  24.413 -21.053   9.550
  236    H1*    A  24           H1*        A  24  25.014 -20.384   6.940
  237    H8     A  24           H8         A  24  22.483 -18.086   8.840
  238   1H6     A  24          1H6         A  24  27.448 -14.603   9.788
  239   2H6     A  24          2H6         A  24  25.818 -14.945  10.320
  240    H2     A  24           H2         A  24  28.336 -17.367   6.423
  241   1H5*    C  25          1H5*        C  25  20.609 -24.325   8.933
  242   2H5*    C  25          2H5*        C  25  22.278 -23.814   9.135
  243    H4*    C  25           H4*        C  25  21.344 -25.157  10.996
  244    H3*    C  25           H3*        C  25  23.561 -26.417   9.370
  245    H2*    C  25           H2*        C  25  23.500 -28.117  11.000
  246   2HO*    C  25          2HO*        C  25  23.523 -26.611  12.753
  247    H1*    C  25           H1*        C  25  20.790 -28.054  11.478
  248   1H4     C  25          1H4         C  25  21.705 -33.362   8.078
  249   2H4     C  25          2H4         C  25  22.056 -32.413   6.650
  250    H5     C  25           H5         C  25  22.026 -29.989   6.637
  251    H6     C  25           H6         C  25  22.045 -28.007   8.060
  252   1H5*    A  26          1H5*        A  26  28.066 -25.309  10.602
  253   2H5*    A  26          2H5*        A  26  27.377 -23.813  11.138
  254    H4*    A  26           H4*        A  26  28.367 -24.467   8.349
  255    H3*    A  26           H3*        A  26  29.541 -23.161  10.721
  256    H2*    A  26           H2*        A  26  30.066 -21.151   9.767
  257   2HO*    A  26          2HO*        A  26  31.372 -21.813   8.147
  258    H1*    A  26           H1*        A  26  28.242 -20.906   7.742
  259    H8     A  26           H8         A  26  26.183 -21.654  10.708
  260   1H6     A  26          1H6         A  26  27.526 -16.064  13.015
  261   2H6     A  26          2H6         A  26  26.533 -17.483  13.238
  262    H2     A  26           H2         A  26  30.116 -16.775   9.422
  263   1H5*    C  27          1H5*        C  27  32.874 -22.793   8.764
  264   2H5*    C  27          2H5*        C  27  34.314 -23.708   9.242
  265    H4*    C  27           H4*        C  27  34.842 -21.301   9.312
  266    H3*    C  27           H3*        C  27  34.397 -22.009  12.180
  267    H2*    C  27           H2*        C  27  34.951 -19.793  12.618
  268   2HO*    C  27          2HO*        C  27  36.919 -19.766  11.593
  269    H1*    C  27           H1*        C  27  34.142 -18.856   9.991
  270   1H4     C  27          1H4         C  27  29.443 -16.569  13.864
  271   2H4     C  27          2H4         C  27  30.619 -15.300  13.727
  272    H5     C  27           H5         C  27  29.920 -18.717  13.381
  273    H6     C  27           H6         C  27  31.222 -20.218  11.828
  274   1H5*    C  28          1H5*        C  28  38.715 -22.305  14.745
  275   2H5*    C  28          2H5*        C  28  37.088 -21.782  15.211
  276    H4*    C  28           H4*        C  28  39.570 -20.063  14.829
  277    H3*    C  28           H3*        C  28  38.011 -21.130  17.101
  278    H2*    C  28           H2*        C  28  37.489 -19.178  18.154
  279   2HO*    C  28          2HO*        C  28  39.390 -18.274  18.555
  280    H1*    C  28           H1*        C  28  37.402 -17.315  16.110
  281   1H4     C  28          1H4         C  28  31.638 -20.466  17.196
  282   2H4     C  28          2H4         C  28  31.679 -19.157  18.354
  283    H5     C  28           H5         C  28  33.348 -20.981  15.721
  284    H6     C  28           H6         C  28  35.528 -20.223  14.696
  285   1H5*    G  29          1H5*        G  29  40.960 -19.734  19.379
  286   2H5*    G  29          2H5*        G  29  41.852 -20.809  20.469
  287    H4*    G  29           H4*        G  29  40.609 -18.989  21.640
  288    H3*    G  29           H3*        G  29  39.301 -21.682  22.167
  289    H2*    G  29           H2*        G  29  37.812 -20.575  23.614
  290   2HO*    G  29          2HO*        G  29  38.167 -18.428  24.274
  291    H1*    G  29           H1*        G  29  37.518 -18.286  21.980
  292    H8     G  29           H8         G  29  37.166 -20.998  19.398
  293    H1     G  29           H1         G  29  31.644 -19.180  22.151
  294   1H2     G  29          1H2         G  29  33.875 -17.885  24.754
  295   2H2     G  29          2H2         G  29  32.224 -18.075  24.205
  296   1H5*    G  30          1H5*        G  30  40.029 -20.542  25.612
  297   2H5*    G  30          2H5*        G  30  40.123 -21.631  27.006
  298    H4*    G  30           H4*        G  30  37.926 -20.384  26.563
  299    H3*    G  30           H3*        G  30  37.948 -23.414  26.719
  300    H2*    G  30           H2*        G  30  35.673 -23.437  26.298
  301   2HO*    G  30          2HO*        G  30  34.340 -21.639  26.908
  302    H1*    G  30           H1*        G  30  35.676 -20.703  25.264
  303    H8     G  30           H8         G  30  36.904 -22.516  22.191
  304    H1     G  30           H1         G  30  30.547 -22.486  22.895
  305   1H2     G  30          1H2         G  30  31.156 -21.780  26.270
  306   2H2     G  30          2H2         G  30  29.982 -22.042  24.999
  Start of MODEL   18
    1   1H5*    A   3          1H5*        A   3  25.569  -3.336  25.832
    2   2H5*    A   3          2H5*        A   3  24.104  -2.775  26.611
    3    H4*    A   3           H4*        A   3  23.687  -1.679  24.749
    4    H3*    A   3           H3*        A   3  22.938  -4.424  23.527
    5    H2*    A   3           H2*        A   3  22.357  -3.294  21.559
    6   2HO*    A   3          2HO*        A   3  22.047  -1.136  23.244
    7    H1*    A   3           H1*        A   3  24.749  -1.644  21.630
    8    H8     A   3           H8         A   3  26.196  -4.601  22.234
    9   1H6     A   3          1H6         A   3  27.262  -5.733  17.679
   10   2H6     A   3          2H6         A   3  26.562  -5.254  16.122
   11    H2     A   3           H2         A   3  23.163  -2.465  17.101
   12   1H5*    G   4          1H5*        G   4  20.051  -3.257  22.837
   13   2H5*    G   4          2H5*        G   4  18.417  -3.870  23.132
   14    H4*    G   4           H4*        G   4  18.706  -3.788  20.809
   15    H3*    G   4           H3*        G   4  19.860  -6.721  21.144
   16    H2*    G   4           H2*        G   4  19.865  -6.756  18.716
   17   2HO*    G   4          2HO*        G   4  18.977  -5.050  17.546
   18    H1*    G   4           H1*        G   4  20.868  -4.265  18.551
   19    H8     G   4           H8         G   4  22.996  -5.714  21.135
   20    H1     G   4           H1         G   4  24.189  -7.233  14.988
   21   1H2     G   4          1H2         G   4  20.752  -6.130  14.811
   22   2H2     G   4          2H2         G   4  22.128  -6.747  13.939
   23   1H5*    U   5          1H5*        U   5  15.670  -8.261  19.509
   24   2H5*    U   5          2H5*        U   5  15.639  -9.929  19.958
   25    H4*    U   5           H4*        U   5  15.591  -9.194  17.395
   26    H3*    U   5           H3*        U   5  17.774 -11.311  18.018
   27    H2*    U   5           H2*        U   5  18.053 -11.403  15.702
   28   2HO*    U   5          2HO*        U   5  16.759 -10.330  14.261
   29    H1*    U   5           H1*        U   5  18.281  -8.827  15.374
   30    H3     U   5           H3         U   5  22.457 -10.137  15.129
   31    H5     U   5           H5         U   5  21.856  -8.835  19.083
   32    H6     U   5           H6         U   5  19.418  -8.910  18.661
   33   1H5*    G   6          1H5*        G   6  15.737 -12.897  15.511
   34   2H5*    G   6          2H5*        G   6  15.142 -14.572  15.432
   35    H4*    G   6           H4*        G   6  16.687 -14.110  13.650
   36    H3*    G   6           H3*        G   6  17.770 -15.887  15.814
   37    H2*    G   6           H2*        G   6  19.720 -16.215  14.496
   38   2HO*    G   6          2HO*        G   6  17.948 -15.631  12.463
   39    H1*    G   6           H1*        G   6  19.768 -13.700  13.440
   40    H8     G   6           H8         G   6  19.590 -13.145  17.180
   41    H1     G   6           H1         G   6  25.472 -13.471  14.660
   42   1H2     G   6          1H2         G   6  23.820 -15.031  11.940
   43   2H2     G   6          2H2         G   6  25.332 -14.458  12.612
   44   1H5*    G   7          1H5*        G   7  19.286 -20.226  14.649
   45   2H5*    G   7          2H5*        G   7  19.042 -19.010  15.932
   46    H4*    G   7           H4*        G   7  20.930 -18.468  13.636
   47    H3*    G   7           H3*        G   7  21.266 -20.556  15.729
   48    H2*    G   7           H2*        G   7  23.064 -19.654  16.625
   49   2HO*    G   7          2HO*        G   7  23.844 -19.747  13.990
   50    H1*    G   7           H1*        G   7  23.133 -17.331  14.985
   51    H8     G   7           H8         G   7  21.208 -16.442  18.006
   52    H1     G   7           H1         G   7  27.488 -14.970  18.096
   53   1H2     G   7          1H2         G   7  27.579 -17.429  15.495
   54   2H2     G   7          2H2         G   7  28.459 -16.284  16.483
   55   1H5*   CH   8          1H5*       CH   8  24.352 -24.366  14.319
   56   2H5*   CH   8          2H5*       CH   8  23.889 -23.388  15.759
   57    H4*   CH   8           H4*       CH   8  26.536 -23.128  14.136
   58    H3*   CH   8           H3*       CH   8  25.921 -23.500  17.262
   59    H2*   CH   8           H2*       CH   8  28.211 -22.706  17.435
   60   2HO*   CH   8          2HO*       CH   8  29.448 -22.292  15.388
   61    H1*   CH   8           H1*       CH   8  28.075 -21.168  15.374
   62    HN3   CH   8           HN3       CH   8  29.639 -18.527  18.525
   63   1H4    CH   8          1H4        CH   8  27.011 -17.105  20.321
   64   2H4    CH   8          2H4        CH   8  28.704 -16.932  20.115
   65    H5    CH   8           H5        CH   8  25.551 -18.777  19.475
   66    H6    CH   8           H6        CH   8  25.321 -20.535  17.716
   67   1H5*    G   9          1H5*        G   9  23.113 -26.512  17.516
   68   2H5*    G   9          2H5*        G   9  23.082 -25.514  16.045
   69    H4*    G   9           H4*        G   9  22.051 -23.711  17.248
   70    H3*    G   9           H3*        G   9  23.662 -24.331  19.366
   71    H2*    G   9           H2*        G   9  22.557 -26.302  19.727
   72   2HO*    G   9          2HO*        G   9  21.189 -25.862  21.725
   73    H1*    G   9           H1*        G   9  19.952 -24.766  19.524
   74    H8     G   9           H8         G   9  19.975 -27.769  17.556
   75    H1     G   9           H1         G   9  18.152 -29.264  23.479
   76   1H2     G   9          1H2         G   9  18.616 -27.591  24.864
   77   2H2     G   9          2H2         G   9  19.368 -26.106  24.321
   78   1H5*    C  10          1H5*        C  10  23.741 -22.950  21.079
   79   2H5*    C  10          2H5*        C  10  23.202 -24.462  21.906
   80    H4*    C  10           H4*        C  10  23.844 -23.261  24.099
   81    H3*    C  10           H3*        C  10  25.776 -21.721  22.275
   82    H2*    C  10           H2*        C  10  27.210 -21.684  23.992
   83   2HO*    C  10          2HO*        C  10  26.707 -22.293  26.014
   84    H1*    C  10           H1*        C  10  27.022 -24.352  24.346
   85   1H4     C  10          1H4         C  10  30.618 -25.075  19.078
   86   2H4     C  10          2H4         C  10  31.752 -24.400  20.246
   87    H5     C  10           H5         C  10  28.198 -25.050  19.406
   88    H6     C  10           H6         C  10  26.491 -24.804  20.937
   89   1H5*    C  11          1H5*        C  11  24.398 -19.100  25.221
   90   2H5*    C  11          2H5*        C  11  24.349 -17.330  25.307
   91    H4*    C  11           H4*        C  11  26.592 -18.370  25.977
   92    H3*    C  11           H3*        C  11  26.471 -16.381  23.696
   93    H2*    C  11           H2*        C  11  28.769 -16.647  23.346
   94   2HO*    C  11          2HO*        C  11  30.141 -17.385  25.080
   95    H1*    C  11           H1*        C  11  28.877 -19.235  24.623
   96   1H4     C  11          1H4         C  11  30.071 -21.654  18.981
   97   2H4     C  11          2H4         C  11  31.573 -21.165  19.610
   98    H5     C  11           H5         C  11  27.871 -20.936  19.921
   99    H6     C  11           H6         C  11  26.964 -19.572  21.592
  100   1H5*    G  12          1H5*        G  12  26.244 -11.521  25.357
  101   2H5*    G  12          2H5*        G  12  26.512 -12.855  24.159
  102    H4*    G  12           H4*        G  12  28.633 -11.597  26.100
  103    H3*    G  12           H3*        G  12  28.330 -10.415  23.267
  104    H2*    G  12           H2*        G  12  30.287 -11.086  22.514
  105   2HO*    G  12          2HO*        G  12  31.036 -10.470  25.079
  106    H1*    G  12           H1*        G  12  31.123 -13.059  23.992
  107    H8     G  12           H8         G  12  27.780 -14.165  22.920
  108    H1     G  12           H1         G  12  32.596 -16.392  19.591
  109   1H2     G  12          1H2         G  12  34.608 -13.975  21.192
  110   2H2     G  12          2H2         G  12  34.550 -15.322  20.059
  111   1H5*    A  13          1H5*        A  13  32.190  -7.273  22.487
  112   2H5*    A  13          2H5*        A  13  31.329  -8.255  21.296
  113    H4*    A  13           H4*        A  13  33.668  -8.442  20.731
  114    H3*    A  13           H3*        A  13  32.393 -10.834  21.927
  115    H2*    A  13           H2*        A  13  34.069 -11.279  23.318
  116   2HO*    A  13          2HO*        A  13  36.096 -11.946  21.856
  117    H1*    A  13           H1*        A  13  35.786  -9.547  21.502
  118    H8     A  13           H8         A  13  35.552  -8.789  25.172
  119   1H6     A  13          1H6         A  13  41.027 -11.464  25.993
  120   2H6     A  13          2H6         A  13  39.797 -10.452  26.717
  121    H2     A  13           H2         A  13  39.632 -12.409  21.821
  122   1H5*    C  14          1H5*        C  14  35.224 -13.051  19.381
  123   2H5*    C  14          2H5*        C  14  36.452 -12.724  18.159
  124    H4*    C  14           H4*        C  14  35.634 -14.681  17.297
  125    H3*    C  14           H3*        C  14  33.763 -12.551  16.280
  126    H2*    C  14           H2*        C  14  32.172 -14.236  15.516
  127   2HO*    C  14          2HO*        C  14  32.790 -16.359  15.304
  128    H1*    C  14           H1*        C  14  32.477 -15.966  17.443
  129   1H4     C  14          1H4         C  14  28.346 -12.335  20.704
  130   2H4     C  14          2H4         C  14  27.408 -13.464  19.767
  131    H5     C  14           H5         C  14  30.784 -12.018  20.314
  132    H6     C  14           H6         C  14  32.664 -12.782  18.937
  133   1H5*    C  15          1H5*        C  15  34.379 -13.751  11.431
  134   2H5*    C  15          2H5*        C  15  33.598 -12.220  11.046
  135    H4*    C  15           H4*        C  15  32.614 -14.774  10.573
  136    H3*    C  15           H3*        C  15  31.036 -12.214  10.775
  137    H2*    C  15           H2*        C  15  29.189 -13.442  10.165
  138   2HO*    C  15          2HO*        C  15  29.421 -15.258   9.182
  139    H1*    C  15           H1*        C  15  29.598 -15.582  11.900
  140   1H4     C  15          1H4         C  15  28.021 -11.822  16.963
  141   2H4     C  15          2H4         C  15  26.465 -12.397  16.434
  142    H5     C  15           H5         C  15  29.944 -12.082  15.925
  143    H6     C  15           H6         C  15  31.119 -12.865  13.941
  144   1H5*    A  16          1H5*        A  16  29.210 -13.446   7.312
  145   2H5*    A  16          2H5*        A  16  28.853 -12.027   6.467
  146    H4*    A  16           H4*        A  16  26.826 -13.333   7.030
  147    H3*    A  16           H3*        A  16  27.012 -10.547   8.194
  148    H2*    A  16           H2*        A  16  24.761 -11.051   9.260
  149   2HO*    A  16          2HO*        A  16  23.520 -12.699   8.510
  150    H1*    A  16           H1*        A  16  25.186 -13.471   9.786
  151    H8     A  16           H8         A  16  28.251 -11.701  11.129
  152   1H6     A  16          1H6         A  16  26.470 -10.283  15.301
  153   2H6     A  16          2H6         A  16  24.838 -10.007  15.931
  154    H2     A  16           H2         A  16  22.025 -11.150  12.627
  155   1H5*    C  17          1H5*        C  17  24.004 -10.159   6.451
  156   2H5*    C  17          2H5*        C  17  23.509  -8.714   5.555
  157    H4*    C  17           H4*        C  17  22.149  -8.974   7.566
  158    H3*    C  17           H3*        C  17  24.148  -6.715   7.714
  159    H2*    C  17           H2*        C  17  23.155  -6.065   9.760
  160   2HO*    C  17          2HO*        C  17  20.961  -7.342   8.630
  161    H1*    C  17           H1*        C  17  22.443  -8.618  10.475
  162   1H4     C  17          1H4         C  17  27.606  -8.495  14.266
  163   2H4     C  17          2H4         C  17  26.266  -7.881  15.161
  164    H5     C  17           H5         C  17  27.515  -8.783  11.605
  165    H6     C  17           H6         C  17  25.977  -8.782   9.822
  166   1H5*    U  18          1H5*        U  18  20.555  -2.231   7.654
  167   2H5*    U  18          2H5*        U  18  22.310  -2.369   7.696
  168    H4*    U  18           H4*        U  18  20.350  -3.201   9.873
  169    H3*    U  18           H3*        U  18  21.540  -0.632   9.447
  170    H2*    U  18           H2*        U  18  23.248  -0.978  11.296
  171   2HO*    U  18          2HO*        U  18  21.800  -1.571  13.278
  172    H1*    U  18           H1*        U  18  21.606  -3.086  12.222
  173    H3     U  18           H3         U  18  24.734  -3.828  15.257
  174    H5     U  18           H5         U  18  26.158  -5.142  11.528
  175    H6     U  18           H6         U  18  24.541  -3.852  10.499
  176   1H5*    U  19          1H5*        U  19  17.578  -1.802  10.993
  177   2H5*    U  19          2H5*        U  19  16.233  -0.724  10.554
  178    H4*    U  19           H4*        U  19  15.755  -1.679  12.829
  179    H3*    U  19           H3*        U  19  15.612   1.108  12.512
  180    H2*    U  19           H2*        U  19  18.140   1.339  13.310
  181   2HO*    U  19          2HO*        U  19  16.340   1.699  15.535
  182    H1*    U  19           H1*        U  19  16.991  -0.384  15.459
  183    H3     U  19           H3         U  19  20.509   0.115  18.209
  184    H5     U  19           H5         U  19  22.299   0.224  14.382
  185    H6     U  19           H6         U  19  20.139  -0.046  13.432
  186   1H5*    A  20          1H5*        A  20  13.231  -1.305  11.279
  187   2H5*    A  20          2H5*        A  20  11.885  -2.027  12.190
  188    H4*    A  20           H4*        A  20  13.089  -3.656  10.608
  189    H3*    A  20           H3*        A  20  12.937  -4.099  13.608
  190    H2*    A  20           H2*        A  20  14.185  -5.923  13.597
  191   2HO*    A  20          2HO*        A  20  14.532  -7.099  11.531
  192    H1*    A  20           H1*        A  20  15.755  -5.340  11.293
  193    H8     A  20           H8         A  20  15.045  -4.452  14.992
  194   1H6     A  20          1H6         A  20  19.540  -4.265  16.604
  195   2H6     A  20          2H6         A  20  21.099  -4.326  15.823
  196    H2     A  20           H2         A  20  20.389  -4.846  11.475
  197   1H5*    A  21          1H5*        A  21  12.251  -7.274   8.751
  198   2H5*    A  21          2H5*        A  21  10.713  -8.011   9.227
  199    H4*    A  21           H4*        A  21  12.376  -9.746   8.760
  200    H3*    A  21           H3*        A  21  11.371  -9.400  11.579
  201    H2*    A  21           H2*        A  21  13.107 -10.467  12.561
  202   2HO*    A  21          2HO*        A  21  13.532 -12.155  10.383
  203    H1*    A  21           H1*        A  21  14.898 -10.812  10.474
  204    H8     A  21           H8         A  21  14.672  -9.621  13.855
  205   1H6     A  21          1H6         A  21  18.914  -7.268  14.137
  206   2H6     A  21          2H6         A  21  20.035  -6.722  12.916
  207    H2     A  21           H2         A  21  18.380  -7.904   8.928
  208   1H5*    A  22          1H5*        A  22  11.803 -14.907   8.441
  209   2H5*    A  22          2H5*        A  22  13.243 -14.963   9.456
  210    H4*    A  22           H4*        A  22  12.859 -13.210   6.958
  211    H3*    A  22           H3*        A  22  14.563 -15.557   7.795
  212    H2*    A  22           H2*        A  22  16.512 -14.622   7.230
  213   2HO*    A  22          2HO*        A  22  16.638 -13.240   5.313
  214    H1*    A  22           H1*        A  22  15.608 -11.901   6.757
  215    H8     A  22           H8         A  22  15.989 -12.925  10.395
  216   1H6     A  22          1H6         A  22  21.888 -11.206   9.936
  217   2H6     A  22          2H6         A  22  20.681 -11.859  11.021
  218    H2     A  22           H2         A  22  20.142 -10.911   6.014
  219   1H5*    A  23          1H5*        A  23  16.185 -15.239   4.687
  220   2H5*    A  23          2H5*        A  23  16.423 -16.692   3.706
  221    H4*    A  23           H4*        A  23  18.593 -15.990   4.185
  222    H3*    A  23           H3*        A  23  17.939 -17.838   6.575
  223    H2*    A  23           H2*        A  23  20.390 -17.566   7.157
  224   2HO*    A  23          2HO*        A  23  21.145 -17.810   5.176
  225    H1*    A  23           H1*        A  23  20.418 -14.959   6.091
  226    H8     A  23           H8         A  23  17.856 -14.766   8.967
  227   1H6     A  23          1H6         A  23  21.060 -13.120  12.106
  228   2H6     A  23          2H6         A  23  22.802 -13.128  12.164
  229    H2     A  23           H2         A  23  24.195 -14.781   8.216
  230   1H5*    A  24          1H5*        A  24  23.591 -18.916   5.687
  231   2H5*    A  24          2H5*        A  24  22.780 -18.568   4.164
  232    H4*    A  24           H4*        A  24  22.721 -20.680   3.545
  233    H3*    A  24           H3*        A  24  21.841 -21.303   6.060
  234    H2*    A  24           H2*        A  24  23.640 -22.278   7.307
  235   2HO*    A  24          2HO*        A  24  24.757 -23.947   6.534
  236    H1*    A  24           H1*        A  24  25.881 -21.779   5.787
  237    H8     A  24           H8         A  24  23.166 -20.246   7.998
  238   1H6     A  24          1H6         A  24  27.262 -16.165  10.004
  239   2H6     A  24          2H6         A  24  25.694 -16.884  10.269
  240    H2     A  24           H2         A  24  28.968 -18.152   6.331
  241   1H5*    C  25          1H5*        C  25  20.373 -23.939   7.114
  242   2H5*    C  25          2H5*        C  25  21.546 -22.813   7.811
  243    H4*    C  25           H4*        C  25  20.932 -24.065   9.677
  244    H3*    C  25           H3*        C  25  23.115 -25.695   8.345
  245    H2*    C  25           H2*        C  25  22.909 -27.132  10.201
  246   2HO*    C  25          2HO*        C  25  22.886 -25.233  11.654
  247    H1*    C  25           H1*        C  25  20.183 -26.817  10.534
  248   1H4     C  25          1H4         C  25  21.380 -31.956   6.539
  249   2H4     C  25          2H4         C  25  21.000 -32.638   8.105
  250    H5     C  25           H5         C  25  21.480 -29.561   6.133
  251    H6     C  25           H6         C  25  21.503 -27.364   7.217
  252   1H5*    A  26          1H5*        A  26  27.193 -24.879  11.860
  253   2H5*    A  26          2H5*        A  26  27.307 -23.123  12.073
  254    H4*    A  26           H4*        A  26  28.082 -24.799   9.685
  255    H3*    A  26           H3*        A  26  29.470 -23.304  11.710
  256    H2*    A  26           H2*        A  26  30.070 -21.366  10.682
  257   2HO*    A  26          2HO*        A  26  31.509 -21.775   9.221
  258    H1*    A  26           H1*        A  26  28.531 -21.218   8.369
  259    H8     A  26           H8         A  26  25.844 -21.464  10.629
  260   1H6     A  26          1H6         A  26  26.342 -17.404  13.449
  261   2H6     A  26          2H6         A  26  27.565 -16.162  13.428
  262    H2     A  26           H2         A  26  30.803 -17.469  10.614
  263   1H5*    C  27          1H5*        C  27  32.970 -23.270   9.945
  264   2H5*    C  27          2H5*        C  27  34.245 -24.115  10.838
  265    H4*    C  27           H4*        C  27  34.791 -21.700  10.668
  266    H3*    C  27           H3*        C  27  33.788 -22.002  13.471
  267    H2*    C  27           H2*        C  27  34.621 -19.791  13.681
  268   2HO*    C  27          2HO*        C  27  36.611 -19.996  12.809
  269    H1*    C  27           H1*        C  27  34.011 -19.183  10.947
  270   1H4     C  27          1H4         C  27  29.270 -16.300  14.455
  271   2H4     C  27          2H4         C  27  30.475 -15.091  14.083
  272    H5     C  27           H5         C  27  29.650 -18.550  14.232
  273    H6     C  27           H6         C  27  30.938 -20.305  12.891
  274   1H5*    C  28          1H5*        C  28  38.354 -19.867  13.507
  275   2H5*    C  28          2H5*        C  28  38.832 -20.910  14.856
  276    H4*    C  28           H4*        C  28  39.213 -18.344  15.088
  277    H3*    C  28           H3*        C  28  37.872 -20.113  17.078
  278    H2*    C  28           H2*        C  28  37.504 -18.393  18.569
  279   2HO*    C  28          2HO*        C  28  39.398 -17.339  18.712
  280    H1*    C  28           H1*        C  28  36.886 -16.380  16.672
  281   1H4     C  28          1H4         C  28  31.443 -19.833  18.260
  282   2H4     C  28          2H4         C  28  31.415 -18.382  19.262
  283    H5     C  28           H5         C  28  33.213 -20.437  16.907
  284    H6     C  28           H6         C  28  35.341 -19.694  15.759
  285   1H5*    G  29          1H5*        G  29  41.926 -19.484  18.865
  286   2H5*    G  29          2H5*        G  29  42.678 -20.726  19.875
  287    H4*    G  29           H4*        G  29  41.396 -18.801  21.044
  288    H3*    G  29           H3*        G  29  40.208 -21.548  21.638
  289    H2*    G  29           H2*        G  29  38.691 -20.456  23.073
  290   2HO*    G  29          2HO*        G  29  38.882 -18.234  23.524
  291    H1*    G  29           H1*        G  29  38.141 -18.403  21.219
  292    H8     G  29           H8         G  29  38.467 -21.431  18.967
  293    H1     G  29           H1         G  29  32.502 -20.138  21.038
  294   1H2     G  29          1H2         G  29  34.318 -18.286  23.632
  295   2H2     G  29          2H2         G  29  32.759 -18.758  22.996
  296   1H5*    G  30          1H5*        G  30  40.809 -19.896  24.837
  297   2H5*    G  30          2H5*        G  30  41.085 -20.503  26.480
  298    H4*    G  30           H4*        G  30  38.783 -19.626  26.056
  299    H3*    G  30           H3*        G  30  39.031 -22.590  26.619
  300    H2*    G  30           H2*        G  30  36.719 -22.828  26.388
  301   2HO*    G  30          2HO*        G  30  36.754 -20.407  27.646
  302    H1*    G  30           H1*        G  30  36.412 -20.418  24.833
  303    H8     G  30           H8         G  30  38.123 -22.642  22.284
  304    H1     G  30           H1         G  30  31.777 -23.352  22.497
  305   1H2     G  30          1H2         G  30  31.937 -21.867  25.663
  306   2H2     G  30          2H2         G  30  30.939 -22.558  24.401
  Start of MODEL   19
    1   1H5*    A   3          1H5*        A   3  26.325  -0.517  25.073
    2   2H5*    A   3          2H5*        A   3  25.720  -1.701  26.283
    3    H4*    A   3           H4*        A   3  23.844  -0.753  24.917
    4    H3*    A   3           H3*        A   3  24.545  -3.735  24.104
    5    H2*    A   3           H2*        A   3  22.808  -3.674  22.593
    6   2HO*    A   3          2HO*        A   3  22.136  -1.431  24.121
    7    H1*    A   3           H1*        A   3  22.737  -1.621  21.811
    8    H8     A   3           H8         A   3  26.578  -2.784  21.812
    9   1H6     A   3          1H6         A   3  27.310  -3.469  17.338
   10   2H6     A   3          2H6         A   3  26.335  -3.499  15.863
   11    H2     A   3           H2         A   3  22.151  -2.493  17.247
   12   1H5*    G   4          1H5*        G   4  20.711  -3.279  23.189
   13   2H5*    G   4          2H5*        G   4  19.575  -4.436  23.871
   14    H4*    G   4           H4*        G   4  19.344  -4.120  21.389
   15    H3*    G   4           H3*        G   4  20.829  -6.933  21.500
   16    H2*    G   4           H2*        G   4  20.526  -7.010  19.126
   17   2HO*    G   4          2HO*        G   4  19.333  -5.345  18.078
   18    H1*    G   4           H1*        G   4  21.249  -4.466  18.736
   19    H8     G   4           H8         G   4  23.776  -5.505  21.196
   20    H1     G   4           H1         G   4  24.741  -6.692  14.951
   21   1H2     G   4          1H2         G   4  21.205  -6.163  14.932
   22   2H2     G   4          2H2         G   4  22.634  -6.536  14.004
   23   1H5*    U   5          1H5*        U   5  17.296  -7.344  19.514
   24   2H5*    U   5          2H5*        U   5  16.186  -8.665  19.907
   25    H4*    U   5           H4*        U   5  16.426  -8.528  17.492
   26    H3*    U   5           H3*        U   5  18.199 -10.880  18.385
   27    H2*    U   5           H2*        U   5  18.436 -11.294  16.034
   28   2HO*    U   5          2HO*        U   5  16.274  -9.502  15.917
   29    H1*    U   5           H1*        U   5  19.002  -8.784  15.435
   30    H3     U   5           H3         U   5  23.157 -10.017  15.157
   31    H5     U   5           H5         U   5  22.565  -9.340  19.285
   32    H6     U   5           H6         U   5  20.158  -9.163  18.842
   33   1H5*    G   6          1H5*        G   6  16.505 -12.134  15.391
   34   2H5*    G   6          2H5*        G   6  15.902 -13.807  15.405
   35    H4*    G   6           H4*        G   6  17.440 -13.371  13.562
   36    H3*    G   6           H3*        G   6  18.532 -15.168  15.700
   37    H2*    G   6           H2*        G   6  20.350 -15.642  14.183
   38   2HO*    G   6          2HO*        G   6  18.474 -14.734  12.346
   39    H1*    G   6           H1*        G   6  20.551 -13.117  13.291
   40    H8     G   6           H8         G   6  20.389 -12.834  17.065
   41    H1     G   6           H1         G   6  26.297 -13.106  14.621
   42   1H2     G   6          1H2         G   6  24.743 -14.367  11.730
   43   2H2     G   6          2H2         G   6  26.230 -13.908  12.529
   44   1H5*    G   7          1H5*        G   7  19.558 -18.706  16.717
   45   2H5*    G   7          2H5*        G   7  19.566 -16.935  16.507
   46    H4*    G   7           H4*        G   7  20.301 -18.360  14.067
   47    H3*    G   7           H3*        G   7  21.786 -19.046  16.620
   48    H2*    G   7           H2*        G   7  23.880 -18.836  15.352
   49   2HO*    G   7          2HO*        G   7  22.058 -18.731  13.196
   50    H1*    G   7           H1*        G   7  23.411 -16.592  14.397
   51    H8     G   7           H8         G   7  21.415 -15.964  17.436
   52    H1     G   7           H1         G   7  27.739 -15.005  18.100
   53   1H2     G   7          1H2         G   7  27.766 -16.934  15.037
   54   2H2     G   7          2H2         G   7  28.701 -16.063  16.227
   55   1H5*   CH   8          1H5*       CH   8  22.934 -24.042  14.819
   56   2H5*   CH   8          2H5*       CH   8  22.490 -22.472  14.174
   57    H4*   CH   8           H4*       CH   8  24.968 -22.763  13.829
   58    H3*   CH   8           H3*       CH   8  25.068 -22.719  17.036
   59    H2*   CH   8           H2*       CH   8  27.489 -22.092  16.362
   60   2HO*   CH   8          2HO*       CH   8  27.995 -21.771  14.207
   61    H1*   CH   8           H1*       CH   8  26.784 -20.491  14.735
   62    HN3   CH   8           HN3       CH   8  28.957 -18.618  18.060
   63   1H4    CH   8          1H4        CH   8  28.653 -17.499  19.528
   64   2H4    CH   8          2H4        CH   8  27.257 -16.983  20.410
   65    H5    CH   8           H5        CH   8  24.916 -18.297  19.346
   66    H6    CH   8           H6        CH   8  24.297 -19.662  17.348
   67   1H5*    G   9          1H5*        G   9  27.441 -24.901  20.267
   68   2H5*    G   9          2H5*        G   9  27.216 -26.455  19.422
   69    H4*    G   9           H4*        G   9  24.676 -25.734  19.583
   70    H3*    G   9           H3*        G   9  25.954 -23.806  21.464
   71    H2*    G   9           H2*        G   9  25.144 -24.846  23.356
   72   2HO*    G   9          2HO*        G   9  23.145 -24.223  23.695
   73    H1*    G   9           H1*        G   9  23.386 -26.492  21.559
   74    H8     G   9           H8         G   9  22.742 -28.772  22.805
   75    H1     G   9           H1         G   9  26.739 -27.560  27.622
   76   1H2     G   9          1H2         G   9  27.813 -24.891  25.652
   77   2H2     G   9          2H2         G   9  27.976 -25.778  27.151
   78   1H5*    C  10          1H5*        C  10  22.043 -23.085  20.543
   79   2H5*    C  10          2H5*        C  10  21.241 -21.483  20.757
   80    H4*    C  10           H4*        C  10  21.988 -22.592  22.959
   81    H3*    C  10           H3*        C  10  23.631 -20.241  22.283
   82    H2*    C  10           H2*        C  10  23.900 -20.060  24.540
   83   2HO*    C  10          2HO*        C  10  22.639 -21.063  26.005
   84    H1*    C  10           H1*        C  10  24.366 -23.057  24.370
   85   1H4     C  10          1H4         C  10  29.440 -20.863  26.695
   86   2H4     C  10          2H4         C  10  30.253 -21.427  25.246
   87    H5     C  10           H5         C  10  27.334 -20.924  26.977
   88    H6     C  10           H6         C  10  25.098 -21.151  26.019
   89   1H5*    C  11          1H5*        C  11  22.263 -17.597  25.347
   90   2H5*    C  11          2H5*        C  11  22.463 -15.977  24.680
   91    H4*    C  11           H4*        C  11  24.043 -16.746  26.720
   92    H3*    C  11           H3*        C  11  25.483 -15.430  24.324
   93    H2*    C  11           H2*        C  11  27.548 -16.084  25.156
   94   2HO*    C  11          2HO*        C  11  26.137 -16.430  27.601
   95    H1*    C  11           H1*        C  11  26.906 -18.591  25.996
   96   1H4     C  11          1H4         C  11  27.329 -20.261  19.948
   97   2H4     C  11          2H4         C  11  28.944 -19.992  20.406
   98    H5     C  11           H5         C  11  25.415 -19.496  21.231
   99    H6     C  11           H6         C  11  24.884 -18.294  23.109
  100   1H5*    G  12          1H5*        G  12  27.507 -13.677  26.943
  101   2H5*    G  12          2H5*        G  12  27.532 -11.888  26.998
  102    H4*    G  12           H4*        G  12  29.829 -12.829  26.761
  103    H3*    G  12           H3*        G  12  28.944 -11.633  24.062
  104    H2*    G  12           H2*        G  12  30.947 -12.190  23.211
  105   2HO*    G  12          2HO*        G  12  32.688 -13.023  24.527
  106    H1*    G  12           H1*        G  12  31.351 -14.494  24.363
  107    H8     G  12           H8         G  12  27.888 -14.816  23.297
  108    H1     G  12           H1         G  12  32.415 -17.109  19.363
  109   1H2     G  12          1H2         G  12  34.682 -15.286  21.269
  110   2H2     G  12          2H2         G  12  34.428 -16.391  19.919
  111   1H5*    A  13          1H5*        A  13  32.897  -8.385  23.121
  112   2H5*    A  13          2H5*        A  13  32.052  -9.379  21.924
  113    H4*    A  13           H4*        A  13  34.405  -9.549  21.409
  114    H3*    A  13           H3*        A  13  33.025 -11.901  22.544
  115    H2*    A  13           H2*        A  13  34.680 -12.467  23.912
  116   2HO*    A  13          2HO*        A  13  35.686 -13.058  21.319
  117    H1*    A  13           H1*        A  13  36.485 -10.706  22.205
  118    H8     A  13           H8         A  13  36.087 -10.219  25.919
  119   1H6     A  13          1H6         A  13  40.325 -11.928  27.490
  120   2H6     A  13          2H6         A  13  41.623 -12.802  26.709
  121    H2     A  13           H2         A  13  40.414 -13.380  22.420
  122   1H5*    C  14          1H5*        C  14  35.526 -13.970  19.744
  123   2H5*    C  14          2H5*        C  14  36.830 -13.674  18.609
  124    H4*    C  14           H4*        C  14  35.848 -15.477  17.609
  125    H3*    C  14           H3*        C  14  34.578 -13.033  16.452
  126    H2*    C  14           H2*        C  14  32.576 -14.113  15.836
  127   2HO*    C  14          2HO*        C  14  34.250 -16.032  15.169
  128    H1*    C  14           H1*        C  14  32.589 -16.228  17.363
  129   1H4     C  14          1H4         C  14  28.656 -12.933  21.128
  130   2H4     C  14          2H4         C  14  27.651 -13.777  19.971
  131    H5     C  14           H5         C  14  31.129 -12.769  20.872
  132    H6     C  14           H6         C  14  33.006 -13.448  19.448
  133   1H5*    C  15          1H5*        C  15  34.974 -15.147  11.995
  134   2H5*    C  15          2H5*        C  15  34.897 -13.535  11.264
  135    H4*    C  15           H4*        C  15  33.036 -15.479  10.887
  136    H3*    C  15           H3*        C  15  32.858 -12.484  10.858
  137    H2*    C  15           H2*        C  15  30.610 -12.581  10.517
  138   2HO*    C  15          2HO*        C  15  30.934 -14.590   9.067
  139    H1*    C  15           H1*        C  15  30.055 -15.007  11.835
  140   1H4     C  15          1H4         C  15  28.842 -11.828  17.255
  141   2H4     C  15          2H4         C  15  27.292 -12.248  16.580
  142    H5     C  15           H5         C  15  30.871 -12.051  16.147
  143    H6     C  15           H6         C  15  32.058 -12.721  14.062
  144   1H5*    A  16          1H5*        A  16  29.845 -12.367   6.429
  145   2H5*    A  16          2H5*        A  16  30.156 -10.929   7.389
  146    H4*    A  16           H4*        A  16  27.723 -12.466   7.029
  147    H3*    A  16           H3*        A  16  28.141  -9.815   8.446
  148    H2*    A  16           H2*        A  16  25.747 -10.214   9.264
  149   2HO*    A  16          2HO*        A  16  24.473 -11.672   8.208
  150    H1*    A  16           H1*        A  16  25.934 -12.642   9.594
  151    H8     A  16           H8         A  16  29.045 -11.212  11.214
  152   1H6     A  16          1H6         A  16  27.191 -10.317  15.451
  153   2H6     A  16          2H6         A  16  25.552 -10.090  16.075
  154    H2     A  16           H2         A  16  22.849 -10.625  12.557
  155   1H5*    C  17          1H5*        C  17  25.194  -9.580   6.481
  156   2H5*    C  17          2H5*        C  17  24.544  -8.214   5.569
  157    H4*    C  17           H4*        C  17  23.024  -8.778   7.384
  158    H3*    C  17           H3*        C  17  24.556  -6.192   7.595
  159    H2*    C  17           H2*        C  17  23.507  -5.705   9.639
  160   2HO*    C  17          2HO*        C  17  21.665  -6.996  10.323
  161    H1*    C  17           H1*        C  17  23.067  -8.175  10.466
  162   1H4     C  17          1H4         C  17  28.302  -7.414  14.114
  163   2H4     C  17          2H4         C  17  26.917  -7.030  15.059
  164    H5     C  17           H5         C  17  28.235  -7.753  11.613
  165    H6     C  17           H6         C  17  26.677  -7.878   9.742
  166   1H5*    U  18          1H5*        U  18  20.060  -5.152   7.835
  167   2H5*    U  18          2H5*        U  18  19.907  -3.439   7.489
  168    H4*    U  18           H4*        U  18  19.178  -4.426   9.845
  169    H3*    U  18           H3*        U  18  20.187  -1.685   9.297
  170    H2*    U  18           H2*        U  18  21.268  -1.554  11.459
  171   2HO*    U  18          2HO*        U  18  19.813  -2.490  13.276
  172    H1*    U  18           H1*        U  18  20.460  -3.885  12.402
  173    H3     U  18           H3         U  18  23.988  -3.129  15.175
  174    H5     U  18           H5         U  18  25.648  -4.030  11.435
  175    H6     U  18           H6         U  18  23.437  -3.664  10.458
  176   1H5*    U  19          1H5*        U  19  16.745  -3.330  11.677
  177   2H5*    U  19          2H5*        U  19  15.568  -2.382  10.812
  178    H4*    U  19           H4*        U  19  14.532  -3.097  13.012
  179    H3*    U  19           H3*        U  19  14.426  -0.241  12.769
  180    H2*    U  19           H2*        U  19  16.793  -0.028  13.725
  181   2HO*    U  19          2HO*        U  19  14.590   0.420  15.514
  182    H1*    U  19           H1*        U  19  15.602  -1.649  15.884
  183    H3     U  19           H3         U  19  19.111  -1.319  18.647
  184    H5     U  19           H5         U  19  20.912  -0.742  14.871
  185    H6     U  19           H6         U  19  18.791  -0.932  13.894
  186   1H5*    A  20          1H5*        A  20  12.274  -2.423  11.047
  187   2H5*    A  20          2H5*        A  20  10.896  -3.264  11.781
  188    H4*    A  20           H4*        A  20  12.204  -4.534   9.956
  189    H3*    A  20           H3*        A  20  11.698  -5.668  12.737
  190    H2*    A  20           H2*        A  20  12.769  -7.605  12.310
  191   2HO*    A  20          2HO*        A  20  13.299  -8.198  10.112
  192    H1*    A  20           H1*        A  20  14.736  -6.566  10.605
  193    H8     A  20           H8         A  20  13.441  -6.734  14.217
  194   1H6     A  20          1H6         A  20  17.547  -6.381  16.634
  195   2H6     A  20          2H6         A  20  19.208  -6.102  16.159
  196    H2     A  20           H2         A  20  19.257  -5.743  11.708
  197   1H5*    A  21          1H5*        A  21  10.130 -10.593  10.945
  198   2H5*    A  21          2H5*        A  21  10.822  -9.759  12.354
  199    H4*    A  21           H4*        A  21  12.399 -10.585   9.823
  200    H3*    A  21           H3*        A  21  12.143 -11.912  12.496
  201    H2*    A  21           H2*        A  21  14.353 -11.677  12.716
  202   2HO*    A  21          2HO*        A  21  14.695 -12.736  10.077
  203    H1*    A  21           H1*        A  21  14.587 -10.256   9.967
  204    H8     A  21           H8         A  21  15.372  -9.917  13.793
  205   1H6     A  21          1H6         A  21  19.771  -7.907  13.430
  206   2H6     A  21          2H6         A  21  20.804  -7.578  12.062
  207    H2     A  21           H2         A  21  18.644  -8.909   8.381
  208   1H5*    A  22          1H5*        A  22  12.881 -14.251   7.121
  209   2H5*    A  22          2H5*        A  22  13.736 -14.070   8.644
  210    H4*    A  22           H4*        A  22  14.115 -12.166   6.307
  211    H3*    A  22           H3*        A  22  15.451 -14.820   7.003
  212    H2*    A  22           H2*        A  22  17.502 -14.018   7.029
  213   2HO*    A  22          2HO*        A  22  17.638 -12.009   5.324
  214    H1*    A  22           H1*        A  22  16.845 -11.193   6.835
  215    H8     A  22           H8         A  22  16.442 -12.483  10.266
  216   1H6     A  22          1H6         A  22  21.013 -11.971  11.852
  217   2H6     A  22          2H6         A  22  22.510 -11.629  11.015
  218    H2     A  22           H2         A  22  21.622 -11.267   6.814
  219   1H5*    A  23          1H5*        A  23  18.134 -13.878   3.912
  220   2H5*    A  23          2H5*        A  23  17.883 -15.213   2.776
  221    H4*    A  23           H4*        A  23  20.159 -15.279   2.965
  222    H3*    A  23           H3*        A  23  19.339 -16.884   5.474
  223    H2*    A  23           H2*        A  23  21.859 -17.438   5.606
  224   2HO*    A  23          2HO*        A  23  22.013 -17.500   3.338
  225    H1*    A  23           H1*        A  23  22.495 -14.764   5.110
  226    H8     A  23           H8         A  23  19.437 -14.947   7.512
  227   1H6     A  23          1H6         A  23  21.914 -13.764  11.568
  228   2H6     A  23          2H6         A  23  23.585 -13.457  11.816
  229    H2     A  23           H2         A  23  25.745 -14.216   7.943
  230   1H5*    A  24          1H5*        A  24  22.746 -20.727   3.532
  231   2H5*    A  24          2H5*        A  24  21.586 -21.580   4.568
  232    H4*    A  24           H4*        A  24  24.035 -21.680   5.423
  233    H3*    A  24           H3*        A  24  21.751 -21.185   7.112
  234    H2*    A  24           H2*        A  24  22.921 -19.927   8.526
  235   2HO*    A  24          2HO*        A  24  25.202 -21.488   8.592
  236    H1*    A  24           H1*        A  24  25.539 -20.231   7.098
  237    H8     A  24           H8         A  24  23.022 -17.743   8.758
  238   1H6     A  24          1H6         A  24  28.085 -14.558  10.092
  239   2H6     A  24          2H6         A  24  26.412 -14.828  10.527
  240    H2     A  24           H2         A  24  29.067 -17.324   6.773
  241   1H5*    C  25          1H5*        C  25  20.722 -23.831   8.375
  242   2H5*    C  25          2H5*        C  25  22.427 -23.608   8.803
  243    H4*    C  25           H4*        C  25  21.134 -24.924  10.466
  244    H3*    C  25           H3*        C  25  23.399 -26.358   9.038
  245    H2*    C  25           H2*        C  25  22.993 -28.178  10.555
  246   2HO*    C  25          2HO*        C  25  22.953 -26.780  12.389
  247    H1*    C  25           H1*        C  25  20.245 -27.800  10.728
  248   1H4     C  25          1H4         C  25  21.451 -32.014   5.773
  249   2H4     C  25          2H4         C  25  20.857 -32.984   7.103
  250    H5     C  25           H5         C  25  21.757 -29.610   5.926
  251    H6     C  25           H6         C  25  21.900 -27.733   7.483
  252   1H5*    A  26          1H5*        A  26  26.434 -23.400  11.489
  253   2H5*    A  26          2H5*        A  26  25.275 -23.566  10.164
  254    H4*    A  26           H4*        A  26  27.453 -24.249   8.787
  255    H3*    A  26           H3*        A  26  28.574 -22.954  11.224
  256    H2*    A  26           H2*        A  26  29.577 -21.179  10.199
  257   2HO*    A  26          2HO*        A  26  30.876 -21.969   8.716
  258    H1*    A  26           H1*        A  26  27.990 -20.658   8.075
  259    H8     A  26           H8         A  26  25.531 -21.084  10.805
  260   1H6     A  26          1H6         A  26  26.270 -17.055  13.411
  261   2H6     A  26          2H6         A  26  27.465 -15.786  13.300
  262    H2     A  26           H2         A  26  30.259 -16.897   9.975
  263   1H5*    C  27          1H5*        C  27  32.091 -23.478   9.396
  264   2H5*    C  27          2H5*        C  27  33.370 -24.464  10.124
  265    H4*    C  27           H4*        C  27  34.176 -22.145   9.713
  266    H3*    C  27           H3*        C  27  33.755 -22.230  12.664
  267    H2*    C  27           H2*        C  27  34.742 -20.130  12.571
  268   2HO*    C  27          2HO*        C  27  35.985 -19.462  10.786
  269    H1*    C  27           H1*        C  27  33.771 -19.499   9.992
  270   1H4     C  27          1H4         C  27  31.299 -15.236  13.927
  271   2H4     C  27          2H4         C  27  29.947 -16.303  14.235
  272    H5     C  27           H5         C  27  29.926 -18.511  13.649
  273    H6     C  27           H6         C  27  30.884 -20.251  12.133
  274   1H5*    C  28          1H5*        C  28  36.934 -19.775  12.401
  275   2H5*    C  28          2H5*        C  28  38.227 -20.834  12.990
  276    H4*    C  28           H4*        C  28  38.525 -18.781  14.137
  277    H3*    C  28           H3*        C  28  37.118 -20.841  15.805
  278    H2*    C  28           H2*        C  28  37.014 -19.424  17.618
  279   2HO*    C  28          2HO*        C  28  38.315 -17.542  17.769
  280    H1*    C  28           H1*        C  28  36.594 -16.994  16.198
  281   1H4     C  28          1H4         C  28  30.755 -19.908  17.184
  282   2H4     C  28          2H4         C  28  30.918 -18.809  18.535
  283    H5     C  28           H5         C  28  32.290 -20.226  15.572
  284    H6     C  28           H6         C  28  34.594 -19.795  14.740
  285   1H5*    G  29          1H5*        G  29  39.387 -19.225  18.337
  286   2H5*    G  29          2H5*        G  29  40.274 -20.414  19.311
  287    H4*    G  29           H4*        G  29  39.011 -18.858  20.708
  288    H3*    G  29           H3*        G  29  37.440 -21.416  20.612
  289    H2*    G  29           H2*        G  29  36.539 -20.512  22.712
  290   2HO*    G  29          2HO*        G  29  37.231 -18.412  23.350
  291    H1*    G  29           H1*        G  29  36.068 -18.113  21.205
  292    H8     G  29           H8         G  29  35.548 -20.807  18.632
  293    H1     G  29           H1         G  29  30.151 -19.284  21.807
  294   1H2     G  29          1H2         G  29  32.480 -17.988  24.317
  295   2H2     G  29          2H2         G  29  30.807 -18.236  23.862
  296   1H5*    G  30          1H5*        G  30  38.693 -24.904  19.766
  297   2H5*    G  30          2H5*        G  30  38.960 -24.179  18.179
  298    H4*    G  30           H4*        G  30  36.766 -25.437  18.610
  299    H3*    G  30           H3*        G  30  36.588 -22.532  17.741
  300    H2*    G  30           H2*        G  30  34.289 -22.554  18.079
  301   2HO*    G  30          2HO*        G  30  33.042 -24.414  17.632
  302    H1*    G  30           H1*        G  30  34.519 -25.145  19.722
  303    H8     G  30           H8         G  30  35.988 -22.583  21.787
  304    H1     G  30           H1         G  30  29.745 -22.285  23.015
  305   1H2     G  30          1H2         G  30  29.150 -23.532  19.802
  306   2H2     G  30          2H2         G  30  28.480 -22.934  21.313
  Start of MODEL   20
    1   1H5*    A   3          1H5*        A   3  26.137  -3.576  26.697
    2   2H5*    A   3          2H5*        A   3  24.465  -3.942  27.246
    3    H4*    A   3           H4*        A   3  24.285  -2.269  25.543
    4    H3*    A   3           H3*        A   3  23.935  -4.831  23.820
    5    H2*    A   3           H2*        A   3  23.405  -3.367  22.078
    6   2HO*    A   3          2HO*        A   3  22.847  -1.285  22.325
    7    H1*    A   3           H1*        A   3  25.724  -1.814  22.549
    8    H8     A   3           H8         A   3  27.195  -4.727  23.061
    9   1H6     A   3          1H6         A   3  28.092  -5.928  18.435
   10   2H6     A   3          2H6         A   3  27.315  -5.468  16.909
   11    H2     A   3           H2         A   3  23.982  -2.674  17.982
   12   1H5*    G   4          1H5*        G   4  20.938  -3.772  23.323
   13   2H5*    G   4          2H5*        G   4  19.246  -4.248  23.583
   14    H4*    G   4           H4*        G   4  19.496  -4.032  21.266
   15    H3*    G   4           H3*        G   4  20.446  -7.049  21.417
   16    H2*    G   4           H2*        G   4  20.583  -6.972  19.017
   17   2HO*    G   4          2HO*        G   4  18.917  -4.700  19.417
   18    H1*    G   4           H1*        G   4  21.624  -4.444  18.963
   19    H8     G   4           H8         G   4  23.786  -5.948  21.437
   20    H1     G   4           H1         G   4  24.937  -7.231  15.210
   21   1H2     G   4          1H2         G   4  21.495  -6.117  15.103
   22   2H2     G   4          2H2         G   4  22.870  -6.680  14.196
   23   1H5*    U   5          1H5*        U   5  16.855  -7.032  19.215
   24   2H5*    U   5          2H5*        U   5  15.588  -8.225  19.529
   25    H4*    U   5           H4*        U   5  16.085  -8.184  17.141
   26    H3*    U   5           H3*        U   5  17.504 -10.670  18.267
   27    H2*    U   5           H2*        U   5  17.955 -11.200  15.999
   28   2HO*    U   5          2HO*        U   5  15.881  -9.388  15.548
   29    H1*    U   5           H1*        U   5  18.630  -8.678  15.322
   30    H3     U   5           H3         U   5  22.708 -10.270  15.045
   31    H5     U   5           H5         U   5  22.261  -9.185  19.068
   32    H6     U   5           H6         U   5  19.838  -9.016  18.678
   33   1H5*    G   6          1H5*        G   6  15.419 -13.886  15.868
   34   2H5*    G   6          2H5*        G   6  16.950 -13.255  16.514
   35    H4*    G   6           H4*        G   6  16.328 -14.010  13.679
   36    H3*    G   6           H3*        G   6  17.801 -15.529  15.804
   37    H2*    G   6           H2*        G   6  19.481 -16.120  14.195
   38   2HO*    G   6          2HO*        G   6  19.184 -15.581  11.967
   39    H1*    G   6           H1*        G   6  19.580 -13.781  12.926
   40    H8     G   6           H8         G   6  19.580 -12.953  16.666
   41    H1     G   6           H1         G   6  25.353 -13.679  14.079
   42   1H2     G   6          1H2         G   6  23.626 -15.350  11.493
   43   2H2     G   6          2H2         G   6  25.165 -14.801  12.122
   44   1H5*    G   7          1H5*        G   7  18.598 -19.423  16.630
   45   2H5*    G   7          2H5*        G   7  18.362 -17.670  16.635
   46    H4*    G   7           H4*        G   7  19.473 -18.319  14.099
   47    H3*    G   7           H3*        G   7  20.509 -20.293  15.978
   48    H2*    G   7           H2*        G   7  22.341 -19.245  16.624
   49   2HO*    G   7          2HO*        G   7  22.745 -19.577  13.899
   50    H1*    G   7           H1*        G   7  22.393 -17.069  14.823
   51    H8     G   7           H8         G   7  20.788 -15.869  17.933
   52    H1     G   7           H1         G   7  27.191 -15.103  17.628
   53   1H2     G   7          1H2         G   7  26.864 -17.632  15.108
   54   2H2     G   7          2H2         G   7  27.907 -16.559  16.018
   55   1H5*   CH   8          1H5*       CH   8  22.861 -23.867  14.216
   56   2H5*   CH   8          2H5*       CH   8  22.868 -23.454  15.964
   57    H4*   CH   8           H4*       CH   8  25.224 -23.205  13.972
   58    H3*   CH   8           H3*       CH   8  24.826 -23.689  17.109
   59    H2*   CH   8           H2*       CH   8  27.170 -23.072  17.234
   60   2HO*   CH   8          2HO*       CH   8  28.399 -22.789  15.095
   61    H1*   CH   8           H1*       CH   8  27.186 -21.497  15.161
   62    HN3   CH   8           HN3       CH   8  29.158 -18.861  18.101
   63   1H4    CH   8          1H4        CH   8  26.748 -17.237  20.042
   64   2H4    CH   8          2H4        CH   8  28.426 -17.156  19.711
   65    H5    CH   8           H5        CH   8  25.125 -18.864  19.336
   66    H6    CH   8           H6        CH   8  24.679 -20.639  17.659
   67   1H5*    G   9          1H5*        G   9  22.558 -27.624  17.537
   68   2H5*    G   9          2H5*        G   9  21.589 -26.134  17.672
   69    H4*    G   9           H4*        G   9  21.912 -27.513  19.814
   70    H3*    G   9           H3*        G   9  21.744 -24.793  19.526
   71    H2*    G   9           H2*        G   9  23.975 -24.298  19.410
   72   2HO*    G   9          2HO*        G   9  22.951 -24.047  21.893
   73    H1*    G   9           H1*        G   9  24.698 -26.283  21.552
   74    H8     G   9           H8         G   9  25.695 -25.623  17.852
   75    H1     G   9           H1         G   9  30.526 -25.718  22.007
   76   1H2     G   9          1H2         G   9  29.746 -26.007  24.066
   77   2H2     G   9          2H2         G   9  28.038 -26.175  24.407
   78   1H5*    C  10          1H5*        C  10  20.811 -21.723  22.798
   79   2H5*    C  10          2H5*        C  10  21.861 -22.627  21.702
   80    H4*    C  10           H4*        C  10  22.494 -22.337  24.669
   81    H3*    C  10           H3*        C  10  23.911 -20.392  22.772
   82    H2*    C  10           H2*        C  10  25.333 -20.132  24.438
   83   2HO*    C  10          2HO*        C  10  23.286 -21.322  25.921
   84    H1*    C  10           H1*        C  10  25.549 -22.885  24.709
   85   1H4     C  10          1H4         C  10  29.183 -23.339  19.415
   86   2H4     C  10          2H4         C  10  30.337 -22.879  20.659
   87    H5     C  10           H5         C  10  26.823 -23.200  19.691
   88    H6     C  10           H6         C  10  25.117 -22.964  21.145
   89   1H5*    C  11          1H5*        C  11  22.988 -15.736  26.502
   90   2H5*    C  11          2H5*        C  11  22.987 -15.509  24.754
   91    H4*    C  11           H4*        C  11  25.289 -16.242  26.689
   92    H3*    C  11           H3*        C  11  25.765 -15.018  23.886
   93    H2*    C  11           H2*        C  11  27.952 -15.505  24.301
   94   2HO*    C  11          2HO*        C  11  28.785 -15.881  26.313
   95    H1*    C  11           H1*        C  11  27.441 -17.887  25.646
   96   1H4     C  11          1H4         C  11  28.220 -20.583  20.053
   97   2H4     C  11          2H4         C  11  29.786 -20.176  20.572
   98    H5     C  11           H5         C  11  26.137 -19.697  21.105
   99    H6     C  11           H6         C  11  25.412 -18.227  22.757
  100   1H5*    G  12          1H5*        G  12  27.726 -12.188  26.067
  101   2H5*    G  12          2H5*        G  12  27.538 -10.465  25.610
  102    H4*    G  12           H4*        G  12  29.916 -11.313  25.372
  103    H3*    G  12           H3*        G  12  28.659 -10.850  22.588
  104    H2*    G  12           H2*        G  12  30.614 -11.392  21.692
  105   2HO*    G  12          2HO*        G  12  32.523 -11.861  23.019
  106    H1*    G  12           H1*        G  12  31.344 -13.316  23.272
  107    H8     G  12           H8         G  12  27.872 -14.234  22.492
  108    H1     G  12           H1         G  12  32.301 -16.857  18.915
  109   1H2     G  12          1H2         G  12  34.521 -14.488  20.294
  110   2H2     G  12          2H2         G  12  34.323 -15.861  19.215
  111   1H5*    A  13          1H5*        A  13  32.522  -7.680  20.623
  112   2H5*    A  13          2H5*        A  13  31.597  -8.923  19.768
  113    H4*    A  13           H4*        A  13  33.810  -9.282  19.092
  114    H3*    A  13           H3*        A  13  32.607 -11.216  20.778
  115    H2*    A  13           H2*        A  13  34.159 -11.591  22.383
  116   2HO*    A  13          2HO*        A  13  35.276 -12.467  20.073
  117    H1*    A  13           H1*        A  13  36.418 -10.133  21.375
  118    H8     A  13           H8         A  13  33.453  -9.833  23.912
  119   1H6     A  13          1H6         A  13  36.031  -8.107  27.584
  120   2H6     A  13          2H6         A  13  37.714  -7.666  27.765
  121    H2     A  13           H2         A  13  39.683  -8.375  23.790
  122   1H5*    C  14          1H5*        C  14  35.279 -13.970  18.403
  123   2H5*    C  14          2H5*        C  14  36.427 -13.873  17.064
  124    H4*    C  14           H4*        C  14  35.274 -15.747  16.434
  125    H3*    C  14           H3*        C  14  33.675 -13.434  15.345
  126    H2*    C  14           H2*        C  14  31.852 -14.926  14.744
  127   2HO*    C  14          2HO*        C  14  32.196 -17.107  14.591
  128    H1*    C  14           H1*        C  14  32.071 -16.641  16.745
  129   1H4     C  14          1H4         C  14  28.469 -12.493  20.053
  130   2H4     C  14          2H4         C  14  27.361 -13.546  19.210
  131    H5     C  14           H5         C  14  30.870 -12.470  19.531
  132    H6     C  14           H6         C  14  32.593 -13.449  18.093
  133   1H5*    C  15          1H5*        C  15  34.112 -14.718  10.561
  134   2H5*    C  15          2H5*        C  15  33.416 -13.159  10.177
  135    H4*    C  15           H4*        C  15  32.210 -15.692   9.923
  136    H3*    C  15           H3*        C  15  30.914 -12.976  10.002
  137    H2*    C  15           H2*        C  15  28.880 -13.973   9.675
  138   2HO*    C  15          2HO*        C  15  28.723 -15.932   9.037
  139    H1*    C  15           H1*        C  15  29.237 -16.092  11.417
  140   1H4     C  15          1H4         C  15  28.006 -11.986  16.284
  141   2H4     C  15          2H4         C  15  26.425 -12.516  15.791
  142    H5     C  15           H5         C  15  29.942 -12.413  15.217
  143    H6     C  15           H6         C  15  31.020 -13.376  13.236
  144   1H5*    A  16          1H5*        A  16  28.174 -13.615   5.772
  145   2H5*    A  16          2H5*        A  16  28.718 -12.369   6.888
  146    H4*    A  16           H4*        A  16  26.127 -13.873   6.742
  147    H3*    A  16           H3*        A  16  26.719 -10.938   7.118
  148    H2*    A  16           H2*        A  16  24.836 -10.852   8.824
  149   2HO*    A  16          2HO*        A  16  23.822 -12.783   6.976
  150    H1*    A  16           H1*        A  16  24.667 -13.385   9.387
  151    H8     A  16           H8         A  16  28.058 -12.122  10.539
  152   1H6     A  16          1H6         A  16  26.679 -10.803  15.015
  153   2H6     A  16          2H6         A  16  25.105 -10.417  15.737
  154    H2     A  16           H2         A  16  22.042 -10.997  12.538
  155   1H5*    C  17          1H5*        C  17  23.670  -7.819   5.730
  156   2H5*    C  17          2H5*        C  17  25.185  -8.404   6.409
  157    H4*    C  17           H4*        C  17  22.557  -8.494   7.940
  158    H3*    C  17           H3*        C  17  24.563  -6.226   7.960
  159    H2*    C  17           H2*        C  17  23.822  -5.765  10.149
  160   2HO*    C  17          2HO*        C  17  21.510  -6.945   9.167
  161    H1*    C  17           H1*        C  17  23.143  -8.364  10.648
  162   1H4     C  17          1H4         C  17  28.361  -8.415  14.396
  163   2H4     C  17          2H4         C  17  27.025  -7.845  15.329
  164    H5     C  17           H5         C  17  28.242  -8.611  11.707
  165    H6     C  17           H6         C  17  26.695  -8.523   9.969
  166   1H5*    U  18          1H5*        U  18  21.374  -1.672   8.626
  167   2H5*    U  18          2H5*        U  18  23.069  -2.111   8.719
  168    H4*    U  18           H4*        U  18  20.921  -3.000  10.691
  169    H3*    U  18           H3*        U  18  22.275  -0.508  10.683
  170    H2*    U  18           H2*        U  18  23.938  -1.194  12.413
  171   2HO*    U  18          2HO*        U  18  21.343  -1.087  13.430
  172    H1*    U  18           H1*        U  18  22.164  -3.266  13.131
  173    H3     U  18           H3         U  18  25.442  -4.053  16.113
  174    H5     U  18           H5         U  18  26.719  -5.391  12.355
  175    H6     U  18           H6         U  18  25.036  -4.112  11.368
  176   1H5*    U  19          1H5*        U  19  17.952  -1.694  11.961
  177   2H5*    U  19          2H5*        U  19  16.829  -0.452  11.391
  178    H4*    U  19           H4*        U  19  16.076  -1.340  13.658
  179    H3*    U  19           H3*        U  19  16.058   1.423  13.345
  180    H2*    U  19           H2*        U  19  18.574   1.570  14.189
  181   2HO*    U  19          2HO*        U  19  17.022   3.099  15.164
  182    H1*    U  19           H1*        U  19  17.339  -0.057  16.383
  183    H3     U  19           H3         U  19  20.943   0.045  19.071
  184    H5     U  19           H5         U  19  22.631   0.194  15.192
  185    H6     U  19           H6         U  19  20.464   0.173  14.317
  186   1H5*    A  20          1H5*        A  20  12.449  -0.157  11.719
  187   2H5*    A  20          2H5*        A  20  12.107  -1.055  13.203
  188    H4*    A  20           H4*        A  20  13.280  -1.964  10.607
  189    H3*    A  20           H3*        A  20  11.321  -2.936  12.296
  190    H2*    A  20           H2*        A  20  12.586  -4.201  13.796
  191   2HO*    A  20          2HO*        A  20  13.379  -6.211  12.759
  192    H1*    A  20           H1*        A  20  14.828  -4.591  11.810
  193    H8     A  20           H8         A  20  13.902  -3.617  15.455
  194   1H6     A  20          1H6         A  20  18.176  -4.488  17.482
  195   2H6     A  20          2H6         A  20  19.758  -4.854  16.832
  196    H2     A  20           H2         A  20  19.361  -4.908  12.381
  197   1H5*    A  21          1H5*        A  21  11.295  -6.897   9.911
  198   2H5*    A  21          2H5*        A  21  12.363  -6.135  11.107
  199    H4*    A  21           H4*        A  21  12.996  -8.599   9.405
  200    H3*    A  21           H3*        A  21  12.017  -8.330  12.245
  201    H2*    A  21           H2*        A  21  13.906  -9.267  13.224
  202   2HO*    A  21          2HO*        A  21  14.482 -11.211  12.609
  203    H1*    A  21           H1*        A  21  15.539  -9.651  11.022
  204    H8     A  21           H8         A  21  15.088  -7.706  14.227
  205   1H6     A  21          1H6         A  21  19.914  -7.065  14.876
  206   2H6     A  21          2H6         A  21  21.245  -7.045  13.741
  207    H2     A  21           H2         A  21  19.526  -7.963   9.685
  208   1H5*    A  22          1H5*        A  22  13.200 -14.188  10.021
  209   2H5*    A  22          2H5*        A  22  14.397 -13.489  11.082
  210    H4*    A  22           H4*        A  22  13.830 -12.337   8.322
  211    H3*    A  22           H3*        A  22  15.325 -14.792   9.144
  212    H2*    A  22           H2*        A  22  17.368 -13.937   8.872
  213   2HO*    A  22          2HO*        A  22  17.299 -14.553   6.717
  214    H1*    A  22           H1*        A  22  16.520 -11.414   7.623
  215    H8     A  22           H8         A  22  17.472 -11.753  11.343
  216   1H6     A  22          1H6         A  22  22.150 -10.441  10.857
  217   2H6     A  22          2H6         A  22  23.108 -10.029   9.466
  218    H2     A  22           H2         A  22  20.720 -10.495   5.972
  219   1H5*    A  23          1H5*        A  23  15.823 -15.828   4.974
  220   2H5*    A  23          2H5*        A  23  15.227 -17.483   4.743
  221    H4*    A  23           H4*        A  23  17.551 -17.553   4.218
  222    H3*    A  23           H3*        A  23  17.396 -18.327   7.217
  223    H2*    A  23           H2*        A  23  19.899 -18.934   6.907
  224   2HO*    A  23          2HO*        A  23  19.687 -19.661   4.845
  225    H1*    A  23           H1*        A  23  20.371 -16.499   5.656
  226    H8     A  23           H8         A  23  17.695 -16.071   8.449
  227   1H6     A  23          1H6         A  23  20.696 -13.777  11.544
  228   2H6     A  23          2H6         A  23  22.419 -13.515  11.508
  229    H2     A  23           H2         A  23  23.955 -15.271   7.702
  230   1H5*    A  24          1H5*        A  24  19.655 -23.651   5.571
  231   2H5*    A  24          2H5*        A  24  19.833 -22.885   7.179
  232    H4*    A  24           H4*        A  24  21.382 -21.978   4.774
  233    H3*    A  24           H3*        A  24  21.869 -24.272   6.610
  234    H2*    A  24           H2*        A  24  23.343 -23.188   7.836
  235   2HO*    A  24          2HO*        A  24  25.442 -23.322   7.179
  236    H1*    A  24           H1*        A  24  23.535 -20.996   5.723
  237    H8     A  24           H8         A  24  22.322 -21.134   9.226
  238   1H6     A  24          1H6         A  24  26.145 -16.349  10.206
  239   2H6     A  24          2H6         A  24  24.746 -17.199  10.817
  240    H2     A  24           H2         A  24  27.320 -18.433   6.356
  241   1H5*    C  25          1H5*        C  25  22.805 -26.900   7.096
  242   2H5*    C  25          2H5*        C  25  23.771 -25.442   6.987
  243    H4*    C  25           H4*        C  25  24.738 -26.996   8.410
  244    H3*    C  25           H3*        C  25  26.119 -25.804   6.277
  245    H2*    C  25           H2*        C  25  26.412 -27.538   4.956
  246   2HO*    C  25          2HO*        C  25  28.513 -28.510   5.371
  247    H1*    C  25           H1*        C  25  26.911 -29.440   7.226
  248   1H4     C  25          1H4         C  25  24.610 -32.986   2.206
  249   2H4     C  25          2H4         C  25  26.272 -33.494   2.412
  250    H5     C  25           H5         C  25  23.578 -31.362   3.709
  251    H6     C  25           H6         C  25  24.145 -29.283   4.975
  252   1H5*    A  26          1H5*        A  26  26.239 -24.807  11.260
  253   2H5*    A  26          2H5*        A  26  25.382 -25.467   9.857
  254    H4*    A  26           H4*        A  26  27.441 -24.888   8.490
  255    H3*    A  26           H3*        A  26  28.156 -23.683  11.129
  256    H2*    A  26           H2*        A  26  28.943 -21.745  10.179
  257   2HO*    A  26          2HO*        A  26  29.195 -23.281   7.798
  258    H1*    A  26           H1*        A  26  27.227 -21.623   7.954
  259    H8     A  26           H8         A  26  24.698 -21.710  10.391
  260   1H6     A  26          1H6         A  26  26.889 -16.652  13.274
  261   2H6     A  26          2H6         A  26  25.604 -17.831  13.310
  262    H2     A  26           H2         A  26  29.828 -17.929  10.124
  263   1H5*    C  27          1H5*        C  27  31.607 -23.640   9.302
  264   2H5*    C  27          2H5*        C  27  33.004 -24.568   9.871
  265    H4*    C  27           H4*        C  27  34.010 -22.652  10.249
  266    H3*    C  27           H3*        C  27  32.814 -22.669  12.998
  267    H2*    C  27           H2*        C  27  33.915 -20.565  13.181
  268   2HO*    C  27          2HO*        C  27  35.863 -20.969  12.317
  269    H1*    C  27           H1*        C  27  33.354 -19.946  10.451
  270   1H4     C  27          1H4         C  27  28.614 -17.056  14.000
  271   2H4     C  27          2H4         C  27  29.797 -15.836  13.588
  272    H5     C  27           H5         C  27  28.969 -19.268  13.735
  273    H6     C  27           H6         C  27  30.214 -21.041  12.328
  274   1H5*    C  28          1H5*        C  28  38.050 -21.744  13.719
  275   2H5*    C  28          2H5*        C  28  37.762 -22.427  15.328
  276    H4*    C  28           H4*        C  28  38.828 -19.952  14.880
  277    H3*    C  28           H3*        C  28  37.330 -21.164  17.156
  278    H2*    C  28           H2*        C  28  36.875 -19.175  18.213
  279   2HO*    C  28          2HO*        C  28  38.851 -18.283  18.403
  280    H1*    C  28           H1*        C  28  36.640 -17.430  16.044
  281   1H4     C  28          1H4         C  28  30.853 -20.240  17.688
  282   2H4     C  28          2H4         C  28  30.949 -18.766  18.636
  283    H5     C  28           H5         C  28  32.595 -21.104  16.464
  284    H6     C  28           H6         C  28  34.733 -20.553  15.226
  285   1H5*    G  29          1H5*        G  29  40.226 -19.403  19.273
  286   2H5*    G  29          2H5*        G  29  41.194 -20.244  20.493
  287    H4*    G  29           H4*        G  29  39.819 -18.370  21.418
  288    H3*    G  29           H3*        G  29  38.709 -21.053  22.313
  289    H2*    G  29           H2*        G  29  37.105 -19.877  23.591
  290   2HO*    G  29          2HO*        G  29  37.278 -17.636  23.936
  291    H1*    G  29           H1*        G  29  36.690 -17.855  21.653
  292    H8     G  29           H8         G  29  36.555 -20.943  19.484
  293    H1     G  29           H1         G  29  30.867 -19.168  21.909
  294   1H2     G  29          1H2         G  29  32.952 -17.362  24.323
  295   2H2     G  29          2H2         G  29  31.329 -17.750  23.797
  296   1H5*    G  30          1H5*        G  30  39.687 -19.430  25.790
  297   2H5*    G  30          2H5*        G  30  39.834 -20.432  27.248
  298    H4*    G  30           H4*        G  30  37.623 -19.172  26.774
  299    H3*    G  30           H3*        G  30  37.720 -22.137  27.355
  300    H2*    G  30           H2*        G  30  35.452 -22.346  26.935
  301   2HO*    G  30          2HO*        G  30  34.024 -20.540  27.335
  302    H1*    G  30           H1*        G  30  35.251 -19.773  25.546
  303    H8     G  30           H8         G  30  36.737 -21.900  22.806
  304    H1     G  30           H1         G  30  30.384 -22.089  23.016
  305   1H2     G  30          1H2         G  30  30.593 -20.973  26.321
  306   2H2     G  30          2H2         G  30  29.571 -21.451  24.977


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