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
20852 2gm0 7098 cing 1-original 7 MR format nomenclature mapping



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   3.078 -48.515  57.566
    2   2H5*    G   1          2H5*        G   1   3.431 -49.376  56.049
    3    H4*    G   1           H4*        G   1   5.360 -48.644  58.212
    4    H3*    G   1           H3*        G   1   4.827 -47.224  55.579
    5    H2*    G   1           H2*        G   1   7.268 -46.884  55.387
    6   2HO*    G   1          2HO*        G   1   8.640 -47.201  56.981
    7    H1*    G   1           H1*        G   1   8.059 -49.395  56.034
    8    H8     G   1           H8         G   1   4.804 -49.854  54.097
    9    H1     G   1           H1         G   1  10.055 -49.107  50.494
   10   1H2     G   1          1H2         G   1  11.808 -48.486  51.773
   11   2H2     G   1          2H2         G   1  11.597 -48.287  53.462
   12    H5T    G   1           H5T        G   1   2.685 -50.779  57.716
   13   1H5*    A   2          1H5*        A   2   7.759 -44.917  57.546
   14   2H5*    A   2          2H5*        A   2   7.123 -43.275  57.457
   15    H4*    A   2           H4*        A   2   9.360 -43.350  56.747
   16    H3*    A   2           H3*        A   2   7.382 -42.649  54.524
   17    H2*    A   2           H2*        A   2   9.337 -42.412  53.041
   18   2HO*    A   2          2HO*        A   2  11.325 -42.215  53.722
   19    H1*    A   2           H1*        A   2  10.709 -44.626  53.912
   20    H8     A   2           H8         A   2   7.081 -45.702  53.710
   21   1H6     A   2          1H6         A   2   8.144 -46.816  47.735
   22   2H6     A   2          2H6         A   2   7.026 -46.999  49.044
   23    H2     A   2           H2         A   2  11.694 -44.642  49.412
   24   1H5*    C   3          1H5*        C   3  10.310 -39.815  54.060
   25   2H5*    C   3          2H5*        C   3   9.480 -38.283  53.785
   26    H4*    C   3           H4*        C   3  11.070 -38.821  52.091
   27    H3*    C   3           H3*        C   3   8.164 -38.560  51.178
   28    H2*    C   3           H2*        C   3   8.908 -39.039  48.921
   29   2HO*    C   3          2HO*        C   3  10.874 -38.743  48.222
   30    H1*    C   3           H1*        C   3  10.937 -40.861  49.564
   31   1H4     C   3          1H4         C   3   6.264 -44.447  47.241
   32   2H4     C   3          2H4         C   3   5.577 -44.598  48.823
   33    H5     C   3           H5         C   3   6.411 -43.394  50.754
   34    H6     C   3           H6         C   3   8.101 -41.787  51.517
   35   1H5*    G   4          1H5*        G   4  10.575 -36.091  48.460
   36   2H5*    G   4          2H5*        G   4   9.678 -34.572  48.502
   37    H4*    G   4           H4*        G   4  10.269 -35.242  46.290
   38    H3*    G   4           H3*        G   4   7.281 -35.035  46.874
   39    H2*    G   4           H2*        G   4   6.913 -35.658  44.507
   40   2HO*    G   4          2HO*        G   4   8.397 -35.589  43.025
   41    H1*    G   4           H1*        G   4   8.731 -37.688  44.390
   42    H8     G   4           H8         G   4   7.277 -38.124  47.844
   43    H1     G   4           H1         G   4   3.537 -40.291  43.108
   44   1H2     G   4          1H2         G   4   4.311 -39.590  41.107
   45   2H2     G   4          2H2         G   4   5.723 -38.618  41.037
   46   1H5*    G   5          1H5*        G   5   5.110 -31.781  43.912
   47   2H5*    G   5          2H5*        G   5   4.486 -33.117  44.882
   48    H4*    G   5           H4*        G   5   5.454 -33.236  42.070
   49    H3*    G   5           H3*        G   5   2.577 -33.052  43.072
   50    H2*    G   5           H2*        G   5   1.982 -34.612  41.242
   51   2HO*    G   5          2HO*        G   5   3.238 -35.052  39.609
   52    H1*    G   5           H1*        G   5   4.042 -36.364  41.586
   53    H8     G   5           H8         G   5   3.562 -35.990  45.163
   54    H1     G   5           H1         G   5  -1.522 -38.740  42.388
   55   1H2     G   5          1H2         G   5  -1.454 -38.449  40.152
   56   2H2     G   5          2H2         G   5  -0.149 -37.587  39.448
   57   1H5*    C   6          1H5*        C   6   1.825 -32.689  39.170
   58   2H5*    C   6          2H5*        C   6   0.851 -31.230  38.990
   59    H4*    C   6           H4*        C   6  -0.163 -33.133  37.991
   60    H3*    C   6           H3*        C   6  -1.718 -31.880  40.304
   61    H2*    C   6           H2*        C   6  -3.460 -33.582  39.864
   62   2HO*    C   6          2HO*        C   6  -3.496 -34.814  38.108
   63    H1*    C   6           H1*        C   6  -1.784 -35.719  39.550
   64   1H4     C   6          1H4         C   6  -3.355 -36.040  45.666
   65   2H4     C   6          2H4         C   6  -1.999 -35.050  46.086
   66    H5     C   6           H5         C   6  -0.559 -34.001  44.442
   67    H6     C   6           H6         C   6  -0.167 -33.718  42.037
   68   1H5*    U   7          1H5*        U   7  -4.689 -31.074  37.494
   69   2H5*    U   7          2H5*        U   7  -4.998 -29.343  37.625
   70    H4*    U   7           H4*        U   7  -6.975 -30.554  37.932
   71    H3*    U   7           H3*        U   7  -6.021 -29.137  40.470
   72    H2*    U   7           H2*        U   7  -8.038 -30.006  41.566
   73   2HO*    U   7          2HO*        U   7  -9.738 -30.712  40.541
   74    H1*    U   7           H1*        U   7  -8.012 -32.523  40.426
   75    H3     U   7           H3         U   7  -7.179 -33.482  44.708
   76    H5     U   7           H5         U   7  -3.527 -31.998  43.280
   77    H6     U   7           H6         U   7  -4.637 -31.433  41.223
   78   1H5*    U   8          1H5*        U   8 -10.045 -28.112  39.980
   79   2H5*    U   8          2H5*        U   8 -10.255 -26.447  40.522
   80    H4*    U   8           H4*        U   8 -11.694 -28.087  41.578
   81    H3*    U   8           H3*        U   8  -9.916 -26.356  43.361
   82    H2*    U   8           H2*        U   8 -10.825 -27.509  45.281
   83   2HO*    U   8          2HO*        U   8 -12.684 -28.578  45.278
   84    H1*    U   8           H1*        U   8 -11.157 -30.036  44.097
   85    H3     U   8           H3         U   8  -8.439 -30.760  47.612
   86    H5     U   8           H5         U   8  -5.925 -29.272  44.604
   87    H6     U   8           H6         U   8  -7.887 -28.793  43.296
   88   1H5*    G   9          1H5*        G   9 -14.162 -26.276  44.640
   89   2H5*    G   9          2H5*        G   9 -14.436 -24.608  45.142
   90    H4*    G   9           H4*        G   9 -15.281 -26.220  46.705
   91    H3*    G   9           H3*        G   9 -13.151 -24.296  47.721
   92    H2*    G   9           H2*        G   9 -13.340 -25.427  49.913
   93   2HO*    G   9          2HO*        G   9 -14.913 -26.752  50.432
   94    H1*    G   9           H1*        G   9 -13.311 -27.989  49.012
   95    H8     G   9           H8         G   9 -10.930 -26.034  46.746
   96    H1     G   9           H1         G   9  -8.403 -28.105  52.262
   97   1H2     G   9          1H2         G   9 -10.016 -28.919  53.614
   98   2H2     G   9          2H2         G   9 -11.649 -28.912  53.085
   99   1H5*    C  10          1H5*        C  10 -15.951 -24.325  50.791
  100   2H5*    C  10          2H5*        C  10 -16.225 -22.625  51.173
  101    H4*    C  10           H4*        C  10 -15.709 -23.826  53.115
  102    H3*    C  10           H3*        C  10 -13.543 -21.822  52.315
  103    H2*    C  10           H2*        C  10 -12.344 -22.519  54.362
  104   2HO*    C  10          2HO*        C  10 -13.230 -23.613  55.940
  105    H1*    C  10           H1*        C  10 -12.751 -25.215  54.104
  106   1H4     C  10          1H4         C  10  -7.086 -24.510  51.413
  107   2H4     C  10          2H4         C  10  -7.810 -24.023  49.918
  108    H5     C  10           H5         C  10 -10.196 -23.694  49.642
  109    H6     C  10           H6         C  10 -12.361 -23.780  50.794
  110   1H5*    U  11          1H5*        U  11 -13.996 -20.997  56.267
  111   2H5*    U  11          2H5*        U  11 -13.953 -19.242  56.442
  112    H4*    U  11           H4*        U  11 -12.304 -20.283  57.772
  113    H3*    U  11           H3*        U  11 -11.199 -18.532  55.525
  114    H2*    U  11           H2*        U  11  -8.948 -19.089  56.395
  115   2HO*    U  11          2HO*        U  11  -8.586 -19.899  58.292
  116    H1*    U  11           H1*        U  11  -9.367 -21.763  56.760
  117    H3     U  11           H3         U  11  -6.695 -21.759  53.181
  118    H5     U  11           H5         U  11 -10.475 -20.826  51.624
  119    H6     U  11           H6         U  11 -11.294 -20.682  53.882
  120   1H5*    G  12          1H5*        G  12  -9.195 -17.783  59.446
  121   2H5*    G  12          2H5*        G  12  -9.256 -16.022  59.494
  122    H4*    G  12           H4*        G  12  -7.153 -16.894  60.185
  123    H3*    G  12           H3*        G  12  -7.096 -15.142  57.677
  124    H2*    G  12           H2*        G  12  -4.657 -15.455  57.667
  125   2HO*    G  12          2HO*        G  12  -3.538 -16.037  59.326
  126    H1*    G  12           H1*        G  12  -4.640 -18.132  58.334
  127    H8     G  12           H8         G  12  -7.402 -17.899  55.783
  128    H1     G  12           H1         G  12  -1.502 -17.789  53.277
  129   1H2     G  12          1H2         G  12   0.039 -17.492  54.898
  130   2H2     G  12          2H2         G  12  -0.465 -17.337  56.530
  131   1H5*    A  13          1H5*        A  13  -3.157 -12.853  61.327
  132   2H5*    A  13          2H5*        A  13  -4.008 -11.654  60.355
  133    H4*    A  13           H4*        A  13  -1.495 -12.960  59.981
  134    H3*    A  13           H3*        A  13  -2.701 -10.379  59.058
  135    H2*    A  13           H2*        A  13  -1.873 -10.523  56.906
  136   2HO*    A  13          2HO*        A  13   0.261 -11.405  56.575
  137    H1*    A  13           H1*        A  13  -0.769 -13.265  57.131
  138    H8     A  13           H8         A  13  -4.438 -12.520  56.196
  139   1H6     A  13          1H6         A  13  -2.652 -13.739  50.417
  140   2H6     A  13          2H6         A  13  -3.995 -13.388  51.451
  141    H2     A  13           H2         A  13   0.986 -13.758  53.046
  142   1H5*    A  14          1H5*        A  14   2.426  -7.593  59.406
  143   2H5*    A  14          2H5*        A  14   1.152  -7.658  58.188
  144    H4*    A  14           H4*        A  14   3.546  -9.420  58.422
  145    H3*    A  14           H3*        A  14   3.849  -7.007  57.297
  146    H2*    A  14           H2*        A  14   1.906  -7.095  55.761
  147   2HO*    A  14          2HO*        A  14   3.417  -6.560  54.424
  148    H1*    A  14           H1*        A  14   2.798  -9.864  54.907
  149    H8     A  14           H8         A  14  -0.526  -8.602  56.500
  150   1H6     A  14          1H6         A  14  -3.085 -10.506  51.220
  151   2H6     A  14          2H6         A  14  -3.379  -9.823  52.782
  152    H2     A  14           H2         A  14   1.351 -11.122  50.934
  153   1H5*    G  15          1H5*        G  15   7.239  -6.710  53.453
  154   2H5*    G  15          2H5*        G  15   5.481  -6.647  53.324
  155    H4*    G  15           H4*        G  15   7.373  -8.584  52.103
  156    H3*    G  15           H3*        G  15   5.716  -6.371  50.806
  157    H2*    G  15           H2*        G  15   5.476  -7.883  48.859
  158   2HO*    G  15          2HO*        G  15   6.645  -9.628  48.563
  159    H1*    G  15           H1*        G  15   4.922 -10.163  50.252
  160    H8     G  15           H8         G  15   2.909  -7.952  52.391
  161    H1     G  15           H1         G  15   0.395  -8.638  46.534
  162   1H2     G  15          1H2         G  15   1.908  -9.545  45.126
  163   2H2     G  15          2H2         G  15   3.472  -9.941  45.705
  164   1H5*    C  16          1H5*        C  16   8.684  -6.551  47.815
  165   2H5*    C  16          2H5*        C  16   9.094  -4.870  47.470
  166    H4*    C  16           H4*        C  16   8.362  -6.061  45.543
  167    H3*    C  16           H3*        C  16   6.616  -3.693  46.378
  168    H2*    C  16           H2*        C  16   5.235  -4.179  44.399
  169   2HO*    C  16          2HO*        C  16   5.860  -5.387  42.782
  170    H1*    C  16           H1*        C  16   5.234  -6.923  44.632
  171   1H4     C  16          1H4         C  16  -0.252  -5.337  47.326
  172   2H4     C  16          2H4         C  16   0.539  -4.997  48.828
  173    H5     C  16           H5         C  16   2.946  -5.062  49.106
  174    H6     C  16           H6         C  16   5.070  -5.478  47.949
  175   1H5*    G  17          1H5*        G  17   7.298  -3.250  42.164
  176   2H5*    G  17          2H5*        G  17   7.517  -1.512  41.950
  177    H4*    G  17           H4*        G  17   5.862  -2.398  40.503
  178    H3*    G  17           H3*        G  17   4.842  -0.368  42.550
  179    H2*    G  17           H2*        G  17   2.626  -0.627  41.503
  180   2HO*    G  17          2HO*        G  17   2.303  -1.506  39.605
  181    H1*    G  17           H1*        G  17   2.693  -3.359  41.204
  182    H8     G  17           H8         G  17   4.144  -2.351  44.624
  183    H1     G  17           H1         G  17  -2.210  -3.179  44.420
  184   1H2     G  17          1H2         G  17  -2.902  -3.458  42.290
  185   2H2     G  17          2H2         G  17  -1.755  -3.429  41.016
  186   1H5*    C  18          1H5*        C  18   3.374   0.772  38.637
  187   2H5*    C  18          2H5*        C  18   3.439   2.535  38.637
  188    H4*    C  18           H4*        C  18   1.314   1.708  37.977
  189    H3*    C  18           H3*        C  18   1.330   3.344  40.559
  190    H2*    C  18           H2*        C  18  -1.119   3.033  40.607
  191   2HO*    C  18          2HO*        C  18  -2.265   2.492  38.957
  192    H1*    C  18           H1*        C  18  -1.148   0.380  39.921
  193   1H4     C  18          1H4         C  18  -1.330  -0.063  46.201
  194   2H4     C  18          2H4         C  18   0.339   0.374  46.342
  195    H5     C  18           H5         C  18   1.713   0.998  44.445
  196    H6     C  18           H6         C  18   1.715   1.318  42.012
  197   1H5*    G  19          1H5*        G  19  -1.415   5.853  38.124
  198   2H5*    G  19          2H5*        G  19  -1.361   7.379  39.008
  199    H4*    G  19           H4*        G  19  -3.523   6.141  38.872
  200    H3*    G  19           H3*        G  19  -2.472   7.246  41.518
  201    H2*    G  19           H2*        G  19  -4.527   6.333  42.554
  202   2HO*    G  19          2HO*        G  19  -6.225   5.731  41.474
  203    H1*    G  19           H1*        G  19  -4.496   3.904  41.309
  204    H8     G  19           H8         G  19  -0.839   4.573  42.036
  205    H1     G  19           H1         G  19  -4.217   2.447  47.053
  206   1H2     G  19          1H2         G  19  -6.426   2.485  46.591
  207   2H2     G  19          2H2         G  19  -6.961   3.035  45.058
  208   1H5*    C  20          1H5*        C  20  -5.446  10.520  41.177
  209   2H5*    C  20          2H5*        C  20  -4.753  11.663  42.327
  210    H4*    C  20           H4*        C  20  -6.797  10.271  42.916
  211    H3*    C  20           H3*        C  20  -4.499  10.818  44.859
  212    H2*    C  20           H2*        C  20  -5.747   9.465  46.501
  213   2HO*    C  20          2HO*        C  20  -7.796   8.896  46.265
  214    H1*    C  20           H1*        C  20  -6.516   7.458  44.792
  215   1H4     C  20          1H4         C  20  -1.318   5.017  47.409
  216   2H4     C  20          2H4         C  20  -0.303   5.896  46.317
  217    H5     C  20           H5         C  20  -1.153   7.511  44.721
  218    H6     C  20           H6         C  20  -3.190   8.589  43.880
  219   1H5*    A  21          1H5*        A  21  -7.477  13.854  46.700
  220   2H5*    A  21          2H5*        A  21  -6.344  15.157  47.059
  221    H4*    A  21           H4*        A  21  -7.607  14.255  48.963
  222    H3*    A  21           H3*        A  21  -4.575  14.433  49.089
  223    H2*    A  21           H2*        A  21  -4.716  13.424  51.343
  224   2HO*    A  21          2HO*        A  21  -6.542  13.201  52.430
  225    H1*    A  21           H1*        A  21  -6.460  11.431  50.759
  226    H8     A  21           H8         A  21  -4.701  11.193  47.560
  227   1H6     A  21          1H6         A  21   0.012   8.531  50.520
  228   2H6     A  21          2H6         A  21  -0.695   8.868  48.977
  229    H2     A  21           H2         A  21  -2.721  10.350  53.580
  230   1H5*    C  22          1H5*        C  22  -5.450  15.425  52.875
  231   2H5*    C  22          2H5*        C  22  -4.874  17.086  53.013
  232    H4*    C  22           H4*        C  22  -4.161  15.723  54.835
  233    H3*    C  22           H3*        C  22  -1.962  16.903  53.093
  234    H2*    C  22           H2*        C  22  -0.337  15.761  54.567
  235   2HO*    C  22          2HO*        C  22  -0.828  14.923  56.448
  236    H1*    C  22           H1*        C  22  -1.567  13.344  54.682
  237   1H4     C  22          1H4         C  22   2.354  12.908  49.706
  238   2H4     C  22          2H4         C  22   0.990  13.071  48.652
  239    H5     C  22           H5         C  22  -1.242  13.593  49.440
  240    H6     C  22           H6         C  22  -2.585  14.063  51.440
  241   1H5*    G  23          1H5*        G  23  -0.705  17.746  56.743
  242   2H5*    G  23          2H5*        G  23  -0.310  19.457  56.911
  243    H4*    G  23           H4*        G  23   1.429  17.961  57.637
  244    H3*    G  23           H3*        G  23   2.125  19.924  55.399
  245    H2*    G  23           H2*        G  23   4.412  18.989  55.485
  246   2HO*    G  23          2HO*        G  23   5.162  17.847  57.079
  247    H1*    G  23           H1*        G  23   3.704  16.350  55.664
  248    H8     G  23           H8         G  23   1.183  17.057  53.149
  249    H1     G  23           H1         G  23   7.106  17.784  50.802
  250   1H2     G  23          1H2         G  23   8.611  17.901  52.479
  251   2H2     G  23          2H2         G  23   8.079  17.791  54.106
  252   1H5*    G  24          1H5*        G  24   4.972  21.208  58.072
  253   2H5*    G  24          2H5*        G  24   5.038  22.967  57.976
  254    H4*    G  24           H4*        G  24   7.105  21.867  57.421
  255    H3*    G  24           H3*        G  24   5.854  23.643  55.270
  256    H2*    G  24           H2*        G  24   7.826  23.106  53.881
  257   2HO*    G  24          2HO*        G  24   9.613  22.311  54.627
  258    H1*    G  24           H1*        G  24   7.924  20.426  54.435
  259    H8     G  24           H8         G  24   4.232  20.856  54.104
  260    H1     G  24           H1         G  24   7.338  21.058  48.500
  261   1H2     G  24          1H2         G  24   9.559  21.270  48.836
  262   2H2     G  24          2H2         G  24  10.171  21.351  50.435
  263   1H5*    C  25          1H5*        C  25   9.803  25.156  55.429
  264   2H5*    C  25          2H5*        C  25   9.597  26.906  55.368
  265    H4*    C  25           H4*        C  25  11.080  26.058  53.694
  266    H3*    C  25           H3*        C  25   8.581  27.503  52.684
  267    H2*    C  25           H2*        C  25   9.448  27.132  50.408
  268   2HO*    C  25          2HO*        C  25  11.446  26.594  49.970
  269    H1*    C  25           H1*        C  25  10.303  24.545  50.772
  270   1H4     C  25          1H4         C  25   4.593  23.823  48.153
  271   2H4     C  25          2H4         C  25   3.849  23.838  49.716
  272    H5     C  25           H5         C  25   5.069  24.285  51.762
  273    H6     C  25           H6         C  25   7.282  24.813  52.683
  274   1H5*    A  26          1H5*        A  26  12.050  29.117  50.581
  275   2H5*    A  26          2H5*        A  26  11.699  30.843  50.503
  276    H4*    A  26           H4*        A  26  12.310  29.855  48.393
  277    H3*    A  26           H3*        A  26   9.574  31.206  48.563
  278    H2*    A  26           H2*        A  26   9.312  30.650  46.166
  279   2HO*    A  26          2HO*        A  26  10.903  30.040  44.911
  280    H1*    A  26           H1*        A  26  10.255  28.086  46.299
  281    H8     A  26           H8         A  26   8.176  28.686  49.441
  282   1H6     A  26          1H6         A  26   3.337  26.904  46.053
  283   2H6     A  26          2H6         A  26   3.895  27.309  47.640
  284    H2     A  26           H2         A  26   6.876  27.345  43.327
  285   1H5*    A  27          1H5*        A  27  11.528  32.744  45.058
  286   2H5*    A  27          2H5*        A  27  10.841  34.346  44.793
  287    H4*    A  27           H4*        A  27  10.629  32.638  42.996
  288    H3*    A  27           H3*        A  27   8.216  34.273  43.920
  289    H2*    A  27           H2*        A  27   6.908  33.063  42.224
  290   2HO*    A  27          2HO*        A  27   7.725  32.119  40.572
  291    H1*    A  27           H1*        A  27   7.999  30.569  42.645
  292    H8     A  27           H8         A  27   7.478  31.898  46.124
  293   1H6     A  27          1H6         A  27   1.605  30.086  45.585
  294   2H6     A  27          2H6         A  27   2.825  30.667  46.667
  295    H2     A  27           H2         A  27   3.542  29.796  41.546
  296   1H5*    G  28          1H5*        G  28   6.281  36.853  40.256
  297   2H5*    G  28          2H5*        G  28   5.586  36.131  41.707
  298    H4*    G  28           H4*        G  28   5.622  35.034  38.924
  299    H3*    G  28           H3*        G  28   3.398  36.351  40.451
  300    H2*    G  28           H2*        G  28   1.905  34.549  39.817
  301   2HO*    G  28          2HO*        G  28   2.276  33.168  38.242
  302    H1*    G  28           H1*        G  28   3.429  32.361  40.267
  303    H8     G  28           H8         G  28   4.860  34.016  43.137
  304    H1     G  28           H1         G  28  -1.384  32.813  43.952
  305   1H2     G  28          1H2         G  28  -2.359  32.326  41.975
  306   2H2     G  28          2H2         G  28  -1.415  32.321  40.543
  307   1H5*    A  29          1H5*        A  29   1.551  36.996  36.844
  308   2H5*    A  29          2H5*        A  29   1.138  38.708  36.761
  309    H4*    A  29           H4*        A  29  -0.759  37.257  36.718
  310    H3*    A  29           H3*        A  29  -0.593  39.235  39.034
  311    H2*    A  29           H2*        A  29  -2.614  38.333  39.935
  312   2HO*    A  29          2HO*        A  29  -3.077  37.315  37.366
  313    H1*    A  29           H1*        A  29  -2.341  35.677  38.966
  314    H8     A  29           H8         A  29   0.679  35.759  40.927
  315   1H6     A  29          1H6         A  29  -2.693  35.569  46.090
  316   2H6     A  29          2H6         A  29  -1.111  35.385  45.412
  317    H2     A  29           H2         A  29  -5.412  36.607  42.674
  318   1H5*    G  30          1H5*        G  30  -3.887  40.237  38.007
  319   2H5*    G  30          2H5*        G  30  -4.123  41.817  37.260
  320    H4*    G  30           H4*        G  30  -4.828  42.794  39.166
  321    H3*    G  30           H3*        G  30  -2.875  41.613  40.663
  322    H2*    G  30           H2*        G  30  -3.928  39.425  40.942
  323   2HO*    G  30          2HO*        G  30  -4.824  39.360  42.903
  324    H1*    G  30           H1*        G  30  -6.607  40.817  41.338
  325    H8     G  30           H8         G  30  -6.105  38.433  38.405
  326    H1     G  30           H1         G  30  -8.971  35.905  43.554
  327   1H2     G  30          1H2         G  30  -8.856  37.329  45.300
  328   2H2     G  30          2H2         G  30  -8.075  38.845  45.108
  329   1H5*    G  31          1H5*        G  31  -4.761  45.666  44.369
  330   2H5*    G  31          2H5*        G  31  -3.246  44.768  44.275
  331    H4*    G  31           H4*        G  31  -5.750  43.423  43.521
  332    H3*    G  31           H3*        G  31  -5.515  44.479  46.219
  333    H2*    G  31           H2*        G  31  -4.531  42.584  47.170
  334   2HO*    G  31          2HO*        G  31  -6.805  41.246  46.222
  335    H1*    G  31           H1*        G  31  -5.303  40.809  44.814
  336    H8     G  31           H8         G  31  -1.705  41.330  44.716
  337    H1     G  31           H1         G  31  -3.406  36.702  48.815
  338   1H2     G  31          1H2         G  31  -5.619  36.805  49.247
  339   2H2     G  31          2H2         G  31  -6.574  38.016  48.496
  340   1H5*    C  32          1H5*        C  32 -10.889  44.739  46.158
  341   2H5*    C  32          2H5*        C  32  -9.509  43.876  46.838
  342    H4*    C  32           H4*        C  32 -11.457  42.784  44.859
  343    H3*    C  32           H3*        C  32 -11.609  42.596  47.879
  344    H2*    C  32           H2*        C  32 -12.210  40.224  47.625
  345   2HO*    C  32          2HO*        C  32 -12.852  39.346  45.821
  346    H1*    C  32           H1*        C  32 -10.347  39.503  45.798
  347   1H4     C  32          1H4         C  32  -7.379  38.451  51.278
  348   2H4     C  32          2H4         C  32  -6.640  40.014  51.187
  349    H5     C  32           H5         C  32  -7.193  41.647  49.483
  350    H6     C  32           H6         C  32  -8.595  42.068  47.513
  351   1H5*    G  33          1H5*        G  33 -15.547  41.638  47.785
  352   2H5*    G  33          2H5*        G  33 -16.332  42.923  48.703
  353    H4*    G  33           H4*        G  33 -16.760  40.885  49.746
  354    H3*    G  33           H3*        G  33 -14.898  42.675  51.350
  355    H2*    G  33           H2*        G  33 -14.799  40.874  53.043
  356   2HO*    G  33          2HO*        G  33 -16.120  39.218  53.091
  357    H1*    G  33           H1*        G  33 -14.407  38.787  51.356
  358    H8     G  33           H8         G  33 -12.364  41.262  49.492
  359    H1     G  33           H1         G  33  -9.620  39.315  54.949
  360   1H2     G  33          1H2         G  33 -11.116  38.223  56.240
  361   2H2     G  33          2H2         G  33 -12.727  38.025  55.686
  362   1H5*    U  34          1H5*        U  34 -17.504  41.095  54.175
  363   2H5*    U  34          2H5*        U  34 -18.116  42.496  55.056
  364    H4*    U  34           H4*        U  34 -17.355  40.811  56.523
  365    H3*    U  34           H3*        U  34 -15.744  43.407  56.628
  366    H2*    U  34           H2*        U  34 -14.418  42.345  58.424
  367   2HO*    U  34          2HO*        U  34 -15.011  40.596  59.459
  368    H1*    U  34           H1*        U  34 -14.146  39.887  57.249
  369    H3     U  34           H3         U  34  -9.996  41.473  56.855
  370    H5     U  34           H5         U  34 -12.115  43.449  53.823
  371    H6     U  34           H6         U  34 -14.135  42.478  54.697
  372   1H5*    C  35          1H5*        C  35 -16.343  42.680  60.735
  373   2H5*    C  35          2H5*        C  35 -17.030  44.212  61.275
  374    H4*    C  35           H4*        C  35 -15.281  43.663  62.672
  375    H3*    C  35           H3*        C  35 -14.541  45.997  60.838
  376    H2*    C  35           H2*        C  35 -12.381  46.064  61.987
  377   2HO*    C  35          2HO*        C  35 -11.997  45.134  63.867
  378    H1*    C  35           H1*        C  35 -12.012  43.326  62.231
  379   1H4     C  35          1H4         C  35  -8.364  44.785  57.288
  380   2H4     C  35          2H4         C  35  -9.727  44.745  56.221
  381    H5     C  35           H5         C  35 -12.004  44.423  56.989
  382    H6     C  35           H6         C  35 -13.402  44.076  58.975
  383    H3T    C  35           H3T        C  35 -14.575  46.616  63.289
  384   1H5*    G  36          1H5*        G  36   2.124  44.097  59.582
  385   2H5*    G  36          2H5*        G  36   0.810  44.983  58.773
  386    H4*    G  36           H4*        G  36   0.990  44.240  61.664
  387    H3*    G  36           H3*        G  36  -0.541  42.853  59.436
  388    H2*    G  36           H2*        G  36  -2.393  42.540  61.043
  389   2HO*    G  36          2HO*        G  36  -2.208  42.842  63.139
  390    H1*    G  36           H1*        G  36  -2.440  45.049  62.069
  391    H8     G  36           H8         G  36  -1.541  45.539  58.401
  392    H1     G  36           H1         G  36  -7.796  44.799  59.601
  393   1H2     G  36          1H2         G  36  -8.118  44.149  61.738
  394   2H2     G  36          2H2         G  36  -6.766  43.931  62.771
  395    H5T    G  36           H5T        G  36   2.546  46.355  59.412
  396   1H5*    A  37          1H5*        A  37  -1.267  40.500  62.840
  397   2H5*    A  37          2H5*        A  37  -0.878  38.867  62.300
  398    H4*    A  37           H4*        A  37  -2.975  38.912  63.345
  399    H3*    A  37           H3*        A  37  -3.120  38.320  60.348
  400    H2*    A  37           H2*        A  37  -5.557  38.086  60.650
  401   2HO*    A  37          2HO*        A  37  -6.501  37.833  62.521
  402    H1*    A  37           H1*        A  37  -5.916  40.246  62.308
  403    H8     A  37           H8         A  37  -3.453  41.403  59.670
  404   1H6     A  37          1H6         A  37  -8.378  42.669  56.177
  405   2H6     A  37          2H6         A  37  -6.664  42.838  56.340
  406    H2     A  37           H2         A  37  -9.762  40.371  59.776
  407   1H5*    C  38          1H5*        C  38  -5.535  35.444  61.968
  408   2H5*    C  38          2H5*        C  38  -5.154  33.933  61.144
  409    H4*    C  38           H4*        C  38  -7.469  34.491  61.073
  410    H3*    C  38           H3*        C  38  -6.049  34.312  58.372
  411    H2*    C  38           H2*        C  38  -8.161  34.842  57.308
  412   2HO*    C  38          2HO*        C  38 -10.052  34.530  58.184
  413    H1*    C  38           H1*        C  38  -9.138  36.606  59.253
  414   1H4     C  38          1H4         C  38  -7.421  40.338  54.435
  415   2H4     C  38          2H4         C  38  -5.823  40.466  55.087
  416    H5     C  38           H5         C  38  -5.069  39.198  57.011
  417    H6     C  38           H6         C  38  -5.746  37.537  58.686
  418   1H5*    G  39          1H5*        G  39  -9.627  31.899  57.945
  419   2H5*    G  39          2H5*        G  39  -8.985  30.410  57.251
  420    H4*    G  39           H4*        G  39 -10.906  31.245  56.097
  421    H3*    G  39           H3*        G  39  -8.330  31.044  54.464
  422    H2*    G  39           H2*        G  39  -9.663  31.836  52.535
  423   2HO*    G  39          2HO*        G  39 -11.768  31.851  52.481
  424    H1*    G  39           H1*        G  39 -11.019  33.819  53.842
  425    H8     G  39           H8         G  39  -7.581  34.137  55.336
  426    H1     G  39           H1         G  39  -8.103  36.558  49.421
  427   1H2     G  39          1H2         G  39 -10.050  35.920  48.476
  428   2H2     G  39          2H2         G  39 -11.133  34.924  49.355
  429   1H5*    G  40          1H5*        G  40  -8.525  27.989  50.780
  430   2H5*    G  40          2H5*        G  40  -7.499  29.384  51.112
  431    H4*    G  40           H4*        G  40 -10.068  29.378  49.603
  432    H3*    G  40           H3*        G  40  -7.241  29.253  48.487
  433    H2*    G  40           H2*        G  40  -7.990  30.808  46.716
  434   2HO*    G  40          2HO*        G  40 -10.016  31.244  46.303
  435    H1*    G  40           H1*        G  40  -9.324  32.565  48.301
  436    H8     G  40           H8         G  40  -6.649  32.052  50.740
  437    H1     G  40           H1         G  40  -4.564  35.055  45.472
  438   1H2     G  40          1H2         G  40  -6.072  34.863  43.805
  439   2H2     G  40          2H2         G  40  -7.530  33.999  44.074
  440   1H5*    C  41          1H5*        C  41  -9.317  28.956  45.081
  441   2H5*    C  41          2H5*        C  41  -8.747  27.496  44.272
  442    H4*    C  41           H4*        C  41  -8.698  29.403  42.855
  443    H3*    C  41           H3*        C  41  -5.979  28.137  43.443
  444    H2*    C  41           H2*        C  41  -5.021  29.840  41.924
  445   2HO*    C  41          2HO*        C  41  -6.208  31.080  40.637
  446    H1*    C  41           H1*        C  41  -6.443  31.980  42.861
  447   1H4     C  41          1H4         C  41  -1.088  32.316  46.200
  448   2H4     C  41          2H4         C  41  -1.748  31.271  47.413
  449    H5     C  41           H5         C  41  -3.904  30.184  47.200
  450    H6     C  41           H6         C  41  -5.854  29.907  45.737
  451   1H5*    U  42          1H5*        U  42  -5.681  27.994  39.370
  452   2H5*    U  42          2H5*        U  42  -5.443  26.291  38.978
  453    H4*    U  42           H4*        U  42  -3.796  27.502  37.924
  454    H3*    U  42           H3*        U  42  -2.654  25.944  40.296
  455    H2*    U  42           H2*        U  42  -0.457  26.842  39.672
  456   2HO*    U  42          2HO*        U  42   0.009  27.629  37.782
  457    H1*    U  42           H1*        U  42  -1.283  29.400  39.027
  458    H3     U  42           H3         U  42   1.225  30.129  42.656
  459    H5     U  42           H5         U  42  -2.379  28.639  44.196
  460    H6     U  42           H6         U  42  -3.082  28.194  41.939
  461   1H5*    U  43          1H5*        U  43  -0.170  24.987  37.085
  462   2H5*    U  43          2H5*        U  43   0.331  23.307  37.274
  463    H4*    U  43           H4*        U  43   2.130  24.916  37.102
  464    H3*    U  43           H3*        U  43   2.034  23.125  39.576
  465    H2*    U  43           H2*        U  43   4.033  24.223  40.372
  466   2HO*    U  43          2HO*        U  43   5.406  25.284  39.123
  467    H1*    U  43           H1*        U  43   3.504  26.787  39.349
  468    H3     U  43           H3         U  43   3.950  27.408  43.782
  469    H5     U  43           H5         U  43   0.045  25.963  43.297
  470    H6     U  43           H6         U  43   0.563  25.534  40.988
  471   1H5*    G  44          1H5*        G  44   5.993  23.015  37.531
  472   2H5*    G  44          2H5*        G  44   6.497  21.329  37.666
  473    H4*    G  44           H4*        G  44   8.234  22.898  38.217
  474    H3*    G  44           H3*        G  44   7.397  20.923  40.374
  475    H2*    G  44           H2*        G  44   9.082  21.981  41.843
  476   2HO*    G  44          2HO*        G  44  10.585  23.314  41.154
  477    H1*    G  44           H1*        G  44   8.469  24.572  41.313
  478    H8     G  44           H8         G  44   5.152  22.669  41.265
  479    H1     G  44           H1         G  44   7.200  24.488  47.062
  480   1H2     G  44          1H2         G  44   9.313  25.273  46.942
  481   2H2     G  44          2H2         G  44  10.119  25.312  45.428
  482   1H5*    C  45          1H5*        C  45  11.555  20.883  40.616
  483   2H5*    C  45          2H5*        C  45  11.984  19.173  40.646
  484    H4*    C  45           H4*        C  45  12.987  20.307  42.436
  485    H3*    C  45           H3*        C  45  10.852  18.297  43.304
  486    H2*    C  45           H2*        C  45  11.427  18.908  45.629
  487   2HO*    C  45          2HO*        C  45  13.175  19.964  46.181
  488    H1*    C  45           H1*        C  45  11.571  21.617  45.253
  489   1H4     C  45          1H4         C  45   5.625  20.914  47.248
  490   2H4     C  45          2H4         C  45   5.098  20.481  45.657
  491    H5     C  45           H5         C  45   6.612  20.195  43.786
  492    H6     C  45           H6         C  45   8.969  20.277  43.107
  493   1H5*    U  46          1H5*        U  46  13.935  17.338  45.780
  494   2H5*    U  46          2H5*        U  46  14.002  15.577  45.871
  495    H4*    U  46           H4*        U  46  13.772  16.545  48.012
  496    H3*    U  46           H3*        U  46  11.388  14.857  47.119
  497    H2*    U  46           H2*        U  46  10.393  15.349  49.333
  498   2HO*    U  46          2HO*        U  46  11.470  16.079  50.971
  499    H1*    U  46           H1*        U  46  10.979  18.014  49.395
  500    H3     U  46           H3         U  46   6.571  18.100  48.690
  501    H5     U  46           H5         U  46   8.182  17.258  44.912
  502    H6     U  46           H6         U  46  10.342  17.051  45.954
  503   1H5*    G  47          1H5*        G  47  12.679  13.931  51.292
  504   2H5*    G  47          2H5*        G  47  12.728  12.170  51.221
  505    H4*    G  47           H4*        G  47  11.712  12.990  53.211
  506    H3*    G  47           H3*        G  47   9.902  11.325  51.392
  507    H2*    G  47           H2*        G  47   8.148  11.607  53.093
  508   2HO*    G  47          2HO*        G  47   8.507  12.102  55.080
  509    H1*    G  47           H1*        G  47   8.637  14.257  53.674
  510    H8     G  47           H8         G  47   8.842  14.158  49.916
  511    H1     G  47           H1         G  47   2.860  14.032  52.217
  512   1H2     G  47          1H2         G  47   2.877  13.652  54.442
  513   2H2     G  47          2H2         G  47   4.374  13.449  55.255
  514   1H5*    A  48          1H5*        A  48   9.583   8.801  56.652
  515   2H5*    A  48          2H5*        A  48   9.494   7.670  55.302
  516    H4*    A  48           H4*        A  48   7.452   8.957  56.840
  517    H3*    A  48           H3*        A  48   7.637   6.421  55.262
  518    H2*    A  48           H2*        A  48   5.561   6.636  54.274
  519   2HO*    A  48          2HO*        A  48   3.799   7.499  55.545
  520    H1*    A  48           H1*        A  48   4.957   9.350  55.312
  521    H8     A  48           H8         A  48   6.923   8.693  52.057
  522   1H6     A  48          1H6         A  48   1.640  10.125  49.212
  523   2H6     A  48          2H6         A  48   3.315   9.748  49.002
  524    H2     A  48           H2         A  48   0.864   9.992  53.631
  525   1H5*    A  49          1H5*        A  49   4.156   3.546  58.960
  526   2H5*    A  49          2H5*        A  49   4.240   3.677  57.203
  527    H4*    A  49           H4*        A  49   2.691   5.393  59.088
  528    H3*    A  49           H3*        A  49   1.666   3.014  58.397
  529    H2*    A  49           H2*        A  49   2.002   3.190  55.948
  530   2HO*    A  49          2HO*        A  49  -0.022   2.682  56.012
  531    H1*    A  49           H1*        A  49   0.808   5.975  56.059
  532    H8     A  49           H8         A  49   4.290   4.710  54.849
  533   1H6     A  49          1H6         A  49   2.490   6.846  49.347
  534   2H6     A  49          2H6         A  49   3.778   6.113  50.240
  535    H2     A  49           H2         A  49  -0.894   7.398  52.243
  536   1H5*    G  50          1H5*        G  50  -3.442   2.788  57.973
  537   2H5*    G  50          2H5*        G  50  -2.257   2.783  56.667
  538    H4*    G  50           H4*        G  50  -4.444   4.728  57.183
  539    H3*    G  50           H3*        G  50  -4.198   2.589  55.017
  540    H2*    G  50           H2*        G  50  -5.355   4.180  53.512
  541   2HO*    G  50          2HO*        G  50  -6.366   5.923  54.182
  542    H1*    G  50           H1*        G  50  -3.948   6.411  54.212
  543    H8     G  50           H8         G  50  -1.047   4.158  54.252
  544    H1     G  50           H1         G  50  -3.331   5.085  48.334
  545   1H2     G  50          1H2         G  50  -5.385   6.016  48.418
  546   2H2     G  50          2H2         G  50  -6.095   6.368  49.938
  547   1H5*    C  51          1H5*        C  51  -8.404   2.855  54.940
  548   2H5*    C  51          2H5*        C  51  -8.971   1.185  54.910
  549    H4*    C  51           H4*        C  51  -9.758   2.471  53.066
  550    H3*    C  51           H3*        C  51  -7.983   0.083  52.360
  551    H2*    C  51           H2*        C  51  -8.354   0.670  49.998
  552   2HO*    C  51          2HO*        C  51  -9.900   1.939  49.318
  553    H1*    C  51           H1*        C  51  -8.127   3.401  50.271
  554   1H4     C  51          1H4         C  51  -2.353   1.750  48.318
  555   2H4     C  51          2H4         C  51  -1.883   1.337  49.932
  556    H5     C  51           H5         C  51  -3.415   1.367  51.810
  557    H6     C  51           H6         C  51  -5.735   1.813  52.476
  558   1H5*    G  52          1H5*        G  52 -11.419  -0.206  49.796
  559   2H5*    G  52          2H5*        G  52 -11.746  -1.937  49.728
  560    H4*    G  52           H4*        G  52 -11.543  -0.963  47.572
  561    H3*    G  52           H3*        G  52  -9.433  -3.068  48.259
  562    H2*    G  52           H2*        G  52  -8.552  -2.737  45.982
  563   2HO*    G  52          2HO*        G  52  -9.616  -1.776  44.424
  564    H1*    G  52           H1*        G  52  -8.760   0.004  45.918
  565    H8     G  52           H8         G  52  -7.442  -1.158  49.342
  566    H1     G  52           H1         G  52  -3.003  -0.250  44.806
  567   1H2     G  52          1H2         G  52  -3.982   0.122  42.807
  568   2H2     G  52          2H2         G  52  -5.692   0.131  42.689
  569   1H5*    C  53          1H5*        C  53 -11.110  -4.029  44.375
  570   2H5*    C  53          2H5*        C  53 -11.180  -5.791  44.354
  571    H4*    C  53           H4*        C  53 -10.091  -4.894  42.440
  572    H3*    C  53           H3*        C  53  -8.352  -6.650  44.241
  573    H2*    C  53           H2*        C  53  -6.542  -6.301  42.597
  574   2HO*    C  53          2HO*        C  53  -6.842  -5.678  40.638
  575    H1*    C  53           H1*        C  53  -6.949  -3.619  42.191
  576   1H4     C  53          1H4         C  53  -2.444  -3.441  46.591
  577   2H4     C  53          2H4         C  53  -3.553  -3.913  47.834
  578    H5     C  53           H5         C  53  -5.870  -4.479  47.401
  579    H6     C  53           H6         C  53  -7.569  -4.695  45.643
  580   1H5*    G  54          1H5*        G  54  -8.090  -9.025  40.476
  581   2H5*    G  54          2H5*        G  54  -7.542 -10.577  41.108
  582    H4*    G  54           H4*        G  54  -6.056  -9.296  39.556
  583    H3*    G  54           H3*        G  54  -5.005 -10.535  42.143
  584    H2*    G  54           H2*        G  54  -2.788  -9.635  41.504
  585   2HO*    G  54          2HO*        G  54  -2.300  -8.960  39.574
  586    H1*    G  54           H1*        G  54  -3.629  -7.155  40.729
  587    H8     G  54           H8         G  54  -5.764  -7.913  43.765
  588    H1     G  54           H1         G  54   0.186  -5.940  45.105
  589   1H2     G  54          1H2         G  54   1.452  -5.921  43.236
  590   2H2     G  54          2H2         G  54   0.761  -6.399  41.740
  591   1H5*    C  55          1H5*        C  55  -3.135 -13.727  39.694
  592   2H5*    C  55          2H5*        C  55  -2.850 -14.930  40.953
  593    H4*    C  55           H4*        C  55  -0.953 -13.519  40.012
  594    H3*    C  55           H3*        C  55  -1.255 -14.197  42.977
  595    H2*    C  55           H2*        C  55   0.802 -12.886  43.347
  596   2HO*    C  55          2HO*        C  55   2.115 -12.267  41.777
  597    H1*    C  55           H1*        C  55   0.191 -10.794  41.676
  598   1H4     C  55          1H4         C  55  -1.684  -8.568  47.275
  599   2H4     C  55          2H4         C  55  -3.179  -9.434  47.169
  600    H5     C  55           H5         C  55  -3.698 -10.973  45.369
  601    H6     C  55           H6         C  55  -2.838 -11.971  43.299
  602   1H5*    A  56          1H5*        A  56   2.123 -17.256  42.115
  603   2H5*    A  56          2H5*        A  56   1.524 -18.583  43.111
  604    H4*    A  56           H4*        A  56   3.773 -17.741  43.639
  605    H3*    A  56           H3*        A  56   1.670 -17.975  45.823
  606    H2*    A  56           H2*        A  56   3.351 -17.061  47.390
  607   2HO*    A  56          2HO*        A  56   5.426 -16.849  46.912
  608    H1*    A  56           H1*        A  56   4.241 -15.018  45.843
  609    H8     A  56           H8         A  56   0.752 -14.686  44.779
  610   1H6     A  56          1H6         A  56  -0.524 -12.196  50.278
  611   2H6     A  56          2H6         A  56  -1.097 -12.469  48.669
  612    H2     A  56           H2         A  56   3.542 -14.085  50.500
  613   1H5*    C  57          1H5*        C  57   4.914 -19.093  47.903
  614   2H5*    C  57          2H5*        C  57   4.565 -20.764  48.347
  615    H4*    C  57           H4*        C  57   5.334 -19.465  50.196
  616    H3*    C  57           H3*        C  57   2.532 -20.628  50.428
  617    H2*    C  57           H2*        C  57   2.394 -19.559  52.655
  618   2HO*    C  57          2HO*        C  57   4.061 -18.768  53.696
  619    H1*    C  57           H1*        C  57   3.384 -17.127  51.964
  620   1H4     C  57          1H4         C  57  -2.887 -16.591  51.131
  621   2H4     C  57          2H4         C  57  -2.643 -16.708  49.421
  622    H5     C  57           H5         C  57  -0.498 -17.227  48.418
  623    H6     C  57           H6         C  57   1.852 -17.739  48.905
  624   1H5*    G  58          1H5*        G  58   4.152 -21.593  53.918
  625   2H5*    G  58          2H5*        G  58   3.960 -23.316  54.245
  626    H4*    G  58           H4*        G  58   3.232 -21.873  56.031
  627    H3*    G  58           H3*        G  58   1.158 -23.775  54.837
  628    H2*    G  58           H2*        G  58  -0.418 -22.887  56.519
  629   2HO*    G  58          2HO*        G  58   0.158 -21.819  58.230
  630    H1*    G  58           H1*        G  58   0.245 -20.242  56.258
  631    H8     G  58           H8         G  58   0.295 -20.838  52.671
  632    H1     G  58           H1         G  58  -5.603 -21.524  55.092
  633   1H2     G  58          1H2         G  58  -5.517 -21.708  57.339
  634   2H2     G  58          2H2         G  58  -4.000 -21.652  58.137
  635   1H5*    G  59          1H5*        G  59   0.923 -25.146  58.708
  636   2H5*    G  59          2H5*        G  59   0.784 -26.902  58.635
  637    H4*    G  59           H4*        G  59  -1.073 -25.797  59.701
  638    H3*    G  59           H3*        G  59  -1.689 -27.514  57.248
  639    H2*    G  59           H2*        G  59  -4.066 -26.954  57.630
  640   2HO*    G  59          2HO*        G  59  -4.823 -26.182  59.426
  641    H1*    G  59           H1*        G  59  -3.717 -24.290  58.161
  642    H8     G  59           H8         G  59  -1.304 -24.696  55.342
  643    H1     G  59           H1         G  59  -7.440 -24.744  53.484
  644   1H2     G  59          1H2         G  59  -8.803 -24.972  55.268
  645   2H2     G  59          2H2         G  59  -8.128 -25.100  56.839
  646   1H5*    C  60          1H5*        C  60  -4.484 -28.977  60.078
  647   2H5*    C  60          2H5*        C  60  -4.392 -30.728  59.892
  648    H4*    C  60           H4*        C  60  -6.614 -29.877  59.721
  649    H3*    C  60           H3*        C  60  -5.528 -31.295  57.240
  650    H2*    C  60           H2*        C  60  -7.735 -30.906  56.214
  651   2HO*    C  60          2HO*        C  60  -9.471 -30.371  57.298
  652    H1*    C  60           H1*        C  60  -8.081 -28.325  57.092
  653   1H4     C  60          1H4         C  60  -5.777 -27.546  51.257
  654   2H4     C  60          2H4         C  60  -4.155 -27.600  51.863
  655    H5     C  60           H5         C  60  -3.618 -28.093  54.174
  656    H6     C  60           H6         C  60  -4.579 -28.636  56.366
  657   1H5*    A  61          1H5*        A  61  -9.485 -32.842  58.068
  658   2H5*    A  61          2H5*        A  61  -9.335 -34.568  57.738
  659    H4*    A  61           H4*        A  61 -11.189 -33.510  56.630
  660    H3*    A  61           H3*        A  61  -9.101 -34.861  54.854
  661    H2*    A  61           H2*        A  61 -10.530 -34.222  52.937
  662   2HO*    A  61          2HO*        A  61 -12.534 -33.540  53.129
  663    H1*    A  61           H1*        A  61 -11.068 -31.665  53.744
  664    H8     A  61           H8         A  61  -7.421 -32.399  54.605
  665   1H6     A  61          1H6         A  61  -6.141 -30.446  48.895
  666   2H6     A  61          2H6         A  61  -5.479 -30.927  50.419
  667    H2     A  61           H2         A  61 -10.599 -30.767  49.304
  668   1H5*    A  62          1H5*        A  62 -12.961 -36.172  53.599
  669   2H5*    A  62          2H5*        A  62 -12.748 -37.778  52.903
  670    H4*    A  62           H4*        A  62 -13.732 -35.982  51.495
  671    H3*    A  62           H3*        A  62 -11.447 -37.731  50.454
  672    H2*    A  62           H2*        A  62 -11.594 -36.472  48.360
  673   2HO*    A  62          2HO*        A  62 -13.287 -35.485  47.712
  674    H1*    A  62           H1*        A  62 -12.046 -33.971  49.468
  675    H8     A  62           H8         A  62  -9.229 -35.418  51.502
  676   1H6     A  62          1H6         A  62  -5.452 -33.517  47.011
  677   2H6     A  62          2H6         A  62  -5.551 -34.153  48.617
  678    H2     A  62           H2         A  62  -9.679 -33.100  45.562
  679   1H5*    G  63          1H5*        G  63 -13.228 -40.005  46.248
  680   2H5*    G  63          2H5*        G  63 -11.586 -39.617  46.763
  681    H4*    G  63           H4*        G  63 -13.420 -38.111  44.964
  682    H3*    G  63           H3*        G  63 -10.816 -39.526  44.434
  683    H2*    G  63           H2*        G  63 -10.112 -37.648  43.048
  684   2HO*    G  63          2HO*        G  63 -11.419 -36.147  42.301
  685    H1*    G  63           H1*        G  63 -10.814 -35.558  44.615
  686    H8     G  63           H8         G  63  -9.854 -37.456  47.526
  687    H1     G  63           H1         G  63  -4.814 -36.222  43.760
  688   1H2     G  63          1H2         G  63  -5.500 -35.570  41.710
  689   2H2     G  63          2H2         G  63  -7.178 -35.469  41.371
  690   1H5*    A  64          1H5*        A  64 -12.275 -40.416  40.604
  691   2H5*    A  64          2H5*        A  64 -11.981 -42.134  40.338
  692    H4*    A  64           H4*        A  64 -10.637 -40.557  39.027
  693    H3*    A  64           H3*        A  64  -9.322 -42.771  40.626
  694    H2*    A  64           H2*        A  64  -7.179 -41.902  40.240
  695   2HO*    A  64          2HO*        A  64  -8.256 -40.788  37.905
  696    H1*    A  64           H1*        A  64  -7.948 -39.192  39.566
  697    H8     A  64           H8         A  64  -8.686 -39.213  43.097
  698   1H6     A  64          1H6         A  64  -2.647 -38.927  44.324
  699   2H6     A  64          2H6         A  64  -4.242 -38.752  44.969
  700    H2     A  64           H2         A  64  -3.154 -40.048  40.007
  701   1H5*    G  65          1H5*        G  65  -7.477 -43.532  37.576
  702   2H5*    G  65          2H5*        G  65  -7.831 -45.059  36.767
  703    H4*    G  65           H4*        G  65  -6.139 -46.174  37.796
  704    H3*    G  65           H3*        G  65  -6.579 -44.973  40.198
  705    H2*    G  65           H2*        G  65  -5.523 -42.817  39.710
  706   2HO*    G  65          2HO*        G  65  -3.557 -42.822  40.612
  707    H1*    G  65           H1*        G  65  -3.276 -44.300  38.292
  708    H8     G  65           H8         G  65  -5.517 -41.830  36.415
  709    H1     G  65           H1         G  65   0.172 -39.546  38.294
  710   1H2     G  65          1H2         G  65   1.197 -41.015  39.667
  711   2H2     G  65          2H2         G  65   0.424 -42.497  40.053
  712   1H5*    G  66          1H5*        G  66  -2.848 -49.190  41.679
  713   2H5*    G  66          2H5*        G  66  -3.976 -48.243  42.650
  714    H4*    G  66           H4*        G  66  -2.673 -46.903  40.399
  715    H3*    G  66           H3*        G  66  -0.933 -48.147  42.369
  716    H2*    G  66           H2*        G  66  -0.801 -46.313  43.811
  717   2HO*    G  66          2HO*        G  66   0.150 -44.966  41.541
  718    H1*    G  66           H1*        G  66  -1.891 -44.385  41.715
  719    H8     G  66           H8         G  66  -4.420 -44.911  44.300
  720    H1     G  66           H1         G  66  -0.087 -40.475  45.926
  721   1H2     G  66          1H2         G  66   1.711 -40.591  44.566
  722   2H2     G  66          2H2         G  66   1.753 -41.763  43.315
  723   1H5*    C  67          1H5*        C  67   2.802 -48.467  38.644
  724   2H5*    C  67          2H5*        C  67   2.258 -47.637  40.101
  725    H4*    C  67           H4*        C  67   2.393 -46.434  37.380
  726    H3*    C  67           H3*        C  67   4.596 -46.436  39.472
  727    H2*    C  67           H2*        C  67   5.002 -44.066  38.900
  728   2HO*    C  67          2HO*        C  67   4.238 -43.115  37.176
  729    H1*    C  67           H1*        C  67   2.427 -43.223  38.894
  730   1H4     C  67          1H4         C  67   4.102 -42.269  44.907
  731   2H4     C  67          2H4         C  67   3.572 -43.862  45.332
  732    H5     C  67           H5         C  67   2.810 -45.487  43.703
  733    H6     C  67           H6         C  67   2.418 -45.869  41.311
  734   1H5*    G  68          1H5*        G  68   7.403 -45.447  36.730
  735   2H5*    G  68          2H5*        G  68   8.576 -46.761  36.823
  736    H4*    G  68           H4*        G  68   9.636 -44.741  37.326
  737    H3*    G  68           H3*        G  68   9.399 -46.609  39.715
  738    H2*    G  68           H2*        G  68  10.542 -44.870  41.050
  739   2HO*    G  68          2HO*        G  68  11.543 -43.197  40.211
  740    H1*    G  68           H1*        G  68   9.118 -42.729  40.180
  741    H8     G  68           H8         G  68   6.309 -45.155  40.217
  742    H1     G  68           H1         G  68   8.222 -43.416  46.085
  743   1H2     G  68          1H2         G  68  10.213 -42.357  45.985
  744   2H2     G  68          2H2         G  68  10.976 -42.129  44.466
  745   1H5*    U  69          1H5*        U  69  13.240 -45.062  39.959
  746   2H5*    U  69          2H5*        U  69  14.290 -46.472  40.102
  747    H4*    U  69           H4*        U  69  14.793 -44.849  41.738
  748    H3*    U  69           H3*        U  69  13.702 -47.474  42.859
  749    H2*    U  69           H2*        U  69  14.034 -46.488  45.103
  750   2HO*    U  69          2HO*        U  69  15.198 -44.760  45.477
  751    H1*    U  69           H1*        U  69  13.030 -44.003  44.542
  752    H3     U  69           H3         U  69   9.801 -45.671  47.133
  753    H5     U  69           H5         U  69   9.143 -47.487  43.411
  754    H6     U  69           H6         U  69  11.200 -46.504  42.643
  755   1H5*    C  70          1H5*        C  70  17.054 -46.964  45.366
  756   2H5*    C  70          2H5*        C  70  17.857 -48.526  45.212
  757    H4*    C  70           H4*        C  70  17.572 -48.015  47.458
  758    H3*    C  70           H3*        C  70  15.777 -50.320  46.552
  759    H2*    C  70           H2*        C  70  14.956 -50.464  48.836
  760   2HO*    C  70          2HO*        C  70  15.969 -49.648  50.532
  761    H1*    C  70           H1*        C  70  14.971 -47.733  49.418
  762   1H4     C  70          1H4         C  70   8.842 -48.969  48.520
  763   2H4     C  70          2H4         C  70   9.036 -48.872  46.802
  764    H5     C  70           H5         C  70  11.186 -48.578  45.722
  765    H6     C  70           H6         C  70  13.593 -48.322  46.125
  766    H3T    C  70           H3T        C  70  17.479 -50.995  48.302
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   5.363 -49.563  55.136
    2   2H5*    G   1          2H5*        G   1   5.157 -50.445  53.603
    3    H4*    G   1           H4*        G   1   7.724 -49.727  54.955
    4    H3*    G   1           H3*        G   1   6.335 -48.325  52.641
    5    H2*    G   1           H2*        G   1   8.567 -48.021  51.624
    6   2HO*    G   1          2HO*        G   1  10.395 -48.332  52.656
    7    H1*    G   1           H1*        G   1   9.505 -50.538  52.010
    8    H8     G   1           H8         G   1   5.801 -51.021  51.282
    9    H1     G   1           H1         G   1   9.509 -50.244  46.110
   10   1H2     G   1          1H2         G   1  11.584 -49.595  46.717
   11   2H2     G   1          2H2         G   1  11.956 -49.386  48.377
   12    H5T    G   1           H5T        G   1   5.016 -51.819  55.447
   13   1H5*    A   2          1H5*        A   2   9.730 -45.990  53.404
   14   2H5*    A   2          2H5*        A   2   9.111 -44.340  53.466
   15    H4*    A   2           H4*        A   2  10.961 -44.548  52.004
   16    H3*    A   2           H3*        A   2   8.331 -43.767  50.651
   17    H2*    A   2           H2*        A   2   9.595 -43.644  48.548
   18   2HO*    A   2          2HO*        A   2  11.693 -43.507  48.427
   19    H1*    A   2           H1*        A   2  11.151 -45.891  48.934
   20    H8     A   2           H8         A   2   7.745 -47.024  50.031
   21   1H6     A   2          1H6         A   2   6.456 -47.901  44.062
   22   2H6     A   2          2H6         A   2   5.932 -48.171  45.689
   23    H2     A   2           H2         A   2  10.321 -45.637  44.347
   24   1H5*    C   3          1H5*        C   3  10.896 -40.962  49.030
   25   2H5*    C   3          2H5*        C   3  10.007 -39.440  49.104
   26    H4*    C   3           H4*        C   3  10.794 -40.025  46.913
   27    H3*    C   3           H3*        C   3   7.778 -39.678  47.260
   28    H2*    C   3           H2*        C   3   7.509 -40.193  44.918
   29   2HO*    C   3          2HO*        C   3   8.982 -39.905  43.455
   30    H1*    C   3           H1*        C   3   9.619 -42.038  44.679
   31   1H4     C   3          1H4         C   3   4.313 -45.500  44.408
   32   2H4     C   3          2H4         C   3   4.405 -45.767  46.115
   33    H5     C   3           H5         C   3   6.028 -44.672  47.544
   34    H6     C   3           H6         C   3   7.899 -43.084  47.575
   35   1H5*    G   4          1H5*        G   4   9.009 -37.176  43.765
   36   2H5*    G   4          2H5*        G   4   8.051 -35.723  44.051
   37    H4*    G   4           H4*        G   4   7.925 -36.638  41.802
   38    H3*    G   4           H3*        G   4   5.326 -36.253  43.361
   39    H2*    G   4           H2*        G   4   4.161 -37.077  41.338
   40   2HO*    G   4          2HO*        G   4   5.049 -37.221  39.438
   41    H1*    G   4           H1*        G   4   5.831 -39.175  40.808
   42    H8     G   4           H8         G   4   5.637 -39.289  44.565
   43    H1     G   4           H1         G   4   0.460 -41.633  41.598
   44   1H2     G   4          1H2         G   4   0.503 -41.112  39.402
   45   2H2     G   4          2H2         G   4   1.817 -40.207  38.773
   46   1H5*    G   5          1H5*        G   5   2.232 -33.256  41.123
   47   2H5*    G   5          2H5*        G   5   2.033 -34.494  42.362
   48    H4*    G   5           H4*        G   5   1.892 -34.866  39.415
   49    H3*    G   5           H3*        G   5  -0.414 -34.560  41.393
   50    H2*    G   5           H2*        G   5  -1.616 -36.249  40.040
   51   2HO*    G   5          2HO*        G   5  -1.029 -36.852  38.103
   52    H1*    G   5           H1*        G   5   0.460 -37.993  39.730
   53    H8     G   5           H8         G   5   1.310 -37.345  43.199
   54    H1     G   5           H1         G   5  -4.379 -40.257  42.680
   55   1H2     G   5          1H2         G   5  -5.137 -40.137  40.558
   56   2H2     G   5          2H2         G   5  -4.194 -39.342  39.365
   57   1H5*    C   6          1H5*        C   6  -2.648 -34.453  38.108
   58   2H5*    C   6          2H5*        C   6  -3.542 -32.934  38.189
   59    H4*    C   6           H4*        C   6  -5.015 -34.729  37.850
   60    H3*    C   6           H3*        C   6  -5.318 -33.384  40.569
   61    H2*    C   6           H2*        C   6  -7.145 -34.989  41.019
   62   2HO*    C   6          2HO*        C   6  -8.015 -36.247  39.519
   63    H1*    C   6           H1*        C   6  -5.889 -37.229  40.112
   64   1H4     C   6          1H4         C   6  -4.392 -37.258  46.248
   65   2H4     C   6          2H4         C   6  -2.996 -36.281  45.942
   66    H5     C   6           H5         C   6  -2.486 -35.339  43.767
   67    H6     C   6           H6         C   6  -3.257 -35.171  41.444
   68   1H5*    U   7          1H5*        U   7  -9.167 -32.514  39.462
   69   2H5*    U   7          2H5*        U   7  -9.336 -30.764  39.608
   70    H4*    U   7           H4*        U   7 -10.954 -31.884  40.893
   71    H3*    U   7           H3*        U   7  -8.915 -30.323  42.555
   72    H2*    U   7           H2*        U   7 -10.178 -31.026  44.539
   73   2HO*    U   7          2HO*        U   7 -12.155 -31.821  44.477
   74    H1*    U   7           H1*        U   7 -10.692 -33.620  43.739
   75    H3     U   7           H3         U   7  -7.923 -34.460  47.114
   76    H5     U   7           H5         U   7  -5.399 -32.885  44.160
   77    H6     U   7           H6         U   7  -7.351 -32.432  42.829
   78   1H5*    U   8          1H5*        U   8 -12.983 -29.278  43.776
   79   2H5*    U   8          2H5*        U   8 -12.895 -27.586  44.267
   80    H4*    U   8           H4*        U   8 -13.900 -29.127  45.869
   81    H3*    U   8           H3*        U   8 -11.551 -27.388  46.772
   82    H2*    U   8           H2*        U   8 -11.814 -28.399  48.992
   83   2HO*    U   8          2HO*        U   8 -13.544 -29.503  49.605
   84    H1*    U   8           H1*        U   8 -12.319 -30.984  48.152
   85    H3     U   8           H3         U   8  -8.345 -31.336  50.198
   86    H5     U   8           H5         U   8  -7.428 -29.797  46.407
   87    H6     U   8           H6         U   8  -9.787 -29.551  46.010
   88   1H5*    G   9          1H5*        G   9 -14.897 -27.124  49.490
   89   2H5*    G   9          2H5*        G   9 -14.952 -25.465  50.088
   90    H4*    G   9           H4*        G   9 -15.061 -27.166  51.811
   91    H3*    G   9           H3*        G   9 -12.834 -25.098  51.961
   92    H2*    G   9           H2*        G   9 -12.069 -26.236  54.018
   93   2HO*    G   9          2HO*        G   9 -13.214 -27.677  55.073
   94    H1*    G   9           H1*        G   9 -12.227 -28.793  53.109
   95    H8     G   9           H8         G   9 -11.070 -26.800  50.083
   96    H1     G   9           H1         G   9  -6.443 -28.331  54.248
   97   1H2     G   9          1H2         G   9  -7.334 -29.158  56.150
   98   2H2     G   9          2H2         G   9  -9.038 -29.295  56.298
   99   1H5*    C  10          1H5*        C  10 -14.143 -25.233  55.874
  100   2H5*    C  10          2H5*        C  10 -14.406 -23.550  56.327
  101    H4*    C  10           H4*        C  10 -13.046 -24.589  57.912
  102    H3*    C  10           H3*        C  10 -11.561 -22.492  56.263
  103    H2*    C  10           H2*        C  10  -9.579 -23.002  57.653
  104   2HO*    C  10          2HO*        C  10  -9.649 -24.079  59.465
  105    H1*    C  10           H1*        C  10  -9.801 -25.723  57.595
  106   1H4     C  10          1H4         C  10  -5.929 -24.648  52.728
  107   2H4     C  10          2H4         C  10  -7.271 -24.343  51.678
  108    H5     C  10           H5         C  10  -9.569 -24.268  52.446
  109    H6     C  10           H6         C  10 -11.013 -24.480  54.420
  110   1H5*    U  11          1H5*        U  11 -10.489 -21.468  60.042
  111   2H5*    U  11          2H5*        U  11 -10.527 -19.708  60.156
  112    H4*    U  11           H4*        U  11  -8.407 -20.566  60.737
  113    H3*    U  11           H3*        U  11  -8.432 -18.852  58.208
  114    H2*    U  11           H2*        U  11  -5.985 -19.204  58.116
  115   2HO*    U  11          2HO*        U  11  -4.834 -19.947  59.720
  116    H1*    U  11           H1*        U  11  -5.998 -21.881  58.659
  117    H3     U  11           H3         U  11  -4.979 -21.865  54.311
  118    H5     U  11           H5         U  11  -9.129 -21.267  54.381
  119    H6     U  11           H6         U  11  -8.992 -21.073  56.775
  120   1H5*    G  12          1H5*        G  12  -5.305 -17.642  60.593
  121   2H5*    G  12          2H5*        G  12  -5.244 -15.880  60.623
  122    H4*    G  12           H4*        G  12  -3.150 -16.971  60.112
  123    H3*    G  12           H3*        G  12  -4.275 -14.954  58.144
  124    H2*    G  12           H2*        G  12  -2.615 -15.458  56.559
  125   2HO*    G  12          2HO*        G  12  -0.614 -15.977  57.044
  126    H1*    G  12           H1*        G  12  -1.908 -18.087  57.525
  127    H8     G  12           H8         G  12  -5.379 -18.350  56.207
  128    H1     G  12           H1         G  12  -0.922 -18.191  51.601
  129   1H2     G  12          1H2         G  12   1.068 -17.547  52.449
  130   2H2     G  12          2H2         G  12   1.201 -17.188  54.121
  131   1H5*    A  13          1H5*        A  13  -0.877 -13.450  60.101
  132   2H5*    A  13          2H5*        A  13  -0.559 -11.730  60.320
  133    H4*    A  13           H4*        A  13   0.833 -12.790  58.666
  134    H3*    A  13           H3*        A  13  -0.850 -10.422  57.903
  135    H2*    A  13           H2*        A  13  -0.685 -10.800  55.627
  136   2HO*    A  13          2HO*        A  13   1.203 -11.428  54.669
  137    H1*    A  13           H1*        A  13   0.561 -13.472  55.783
  138    H8     A  13           H8         A  13  -3.242 -12.900  56.127
  139   1H6     A  13          1H6         A  13  -3.519 -14.796  50.262
  140   2H6     A  13          2H6         A  13  -4.433 -14.338  51.658
  141    H2     A  13           H2         A  13   0.803 -14.445  51.423
  142   1H5*    A  14          1H5*        A  14   1.566  -6.730  57.398
  143   2H5*    A  14          2H5*        A  14   0.027  -6.511  56.565
  144    H4*    A  14           H4*        A  14   2.324  -8.278  55.932
  145    H3*    A  14           H3*        A  14   1.494  -5.923  54.677
  146    H2*    A  14           H2*        A  14  -0.385  -6.814  53.475
  147   2HO*    A  14          2HO*        A  14   0.623  -6.507  51.728
  148    H1*    A  14           H1*        A  14   1.033  -9.507  53.249
  149    H8     A  14           H8         A  14  -2.313  -8.893  55.048
  150   1H6     A  14          1H6         A  14  -4.796 -11.986  50.323
  151   2H6     A  14          2H6         A  14  -5.094 -11.255  51.863
  152    H2     A  14           H2         A  14  -0.440 -11.348  49.450
  153   1H5*    G  15          1H5*        G  15   4.902  -8.513  52.286
  154   2H5*    G  15          2H5*        G  15   5.819  -7.130  51.686
  155    H4*    G  15           H4*        G  15   5.999  -8.896  50.183
  156    H3*    G  15           H3*        G  15   4.327  -6.587  49.077
  157    H2*    G  15           H2*        G  15   4.136  -7.896  46.998
  158   2HO*    G  15          2HO*        G  15   5.380  -9.521  46.500
  159    H1*    G  15           H1*        G  15   3.711 -10.351  48.164
  160    H8     G  15           H8         G  15   1.494  -8.327  50.338
  161    H1     G  15           H1         G  15  -0.819  -9.063  44.404
  162   1H2     G  15          1H2         G  15   0.783  -9.851  43.024
  163   2H2     G  15          2H2         G  15   2.354 -10.162  43.639
  164   1H5*    C  16          1H5*        C  16   7.159  -7.313  45.973
  165   2H5*    C  16          2H5*        C  16   7.686  -5.697  45.503
  166    H4*    C  16           H4*        C  16   6.974  -7.000  43.648
  167    H3*    C  16           H3*        C  16   5.320  -4.490  44.200
  168    H2*    C  16           H2*        C  16   4.010  -5.082  42.190
  169   2HO*    C  16          2HO*        C  16   4.635  -6.471  40.736
  170    H1*    C  16           H1*        C  16   3.787  -7.766  42.699
  171   1H4     C  16          1H4         C  16  -1.587  -5.512  45.127
  172   2H4     C  16          2H4         C  16  -0.793  -5.117  46.615
  173    H5     C  16           H5         C  16   1.596  -5.360  46.950
  174    H6     C  16           H6         C  16   3.694  -6.043  45.878
  175   1H5*    G  17          1H5*        G  17   6.145  -4.399  40.001
  176   2H5*    G  17          2H5*        G  17   6.426  -2.689  39.668
  177    H4*    G  17           H4*        G  17   4.749  -3.664  38.273
  178    H3*    G  17           H3*        G  17   3.836  -1.367  40.073
  179    H2*    G  17           H2*        G  17   1.614  -1.612  39.024
  180   2HO*    G  17          2HO*        G  17   1.257  -2.664  37.237
  181    H1*    G  17           H1*        G  17   1.508  -4.352  39.068
  182    H8     G  17           H8         G  17   3.064  -3.179  42.365
  183    H1     G  17           H1         G  17  -3.345  -3.233  42.208
  184   1H2     G  17          1H2         G  17  -4.080  -3.612  40.108
  185   2H2     G  17          2H2         G  17  -2.947  -3.836  38.841
  186   1H5*    C  18          1H5*        C  18   2.440  -0.490  36.065
  187   2H5*    C  18          2H5*        C  18   2.576   1.263  35.935
  188    H4*    C  18           H4*        C  18   0.402   0.410  35.383
  189    H3*    C  18           H3*        C  18   0.552   2.386  37.711
  190    H2*    C  18           H2*        C  18  -1.902   2.199  37.852
  191   2HO*    C  18          2HO*        C  18  -3.121   1.419  36.327
  192    H1*    C  18           H1*        C  18  -2.067  -0.523  37.515
  193   1H4     C  18          1H4         C  18  -2.199  -0.023  43.801
  194   2H4     C  18          2H4         C  18  -0.482   0.182  43.870
  195    H5     C  18           H5         C  18   0.916   0.347  41.897
  196    H6     C  18           H6         C  18   0.899   0.343  39.443
  197   1H5*    G  19          1H5*        G  19  -2.440   4.273  35.075
  198   2H5*    G  19          2H5*        G  19  -2.391   5.951  35.616
  199    H4*    G  19           H4*        G  19  -4.504   4.605  35.853
  200    H3*    G  19           H3*        G  19  -3.432   6.393  38.091
  201    H2*    G  19           H2*        G  19  -5.384   5.697  39.411
  202   2HO*    G  19          2HO*        G  19  -7.114   4.801  38.597
  203    H1*    G  19           H1*        G  19  -5.372   3.034  38.690
  204    H8     G  19           H8         G  19  -1.735   3.590  39.311
  205    H1     G  19           H1         G  19  -5.225   3.323  44.682
  206   1H2     G  19          1H2         G  19  -7.425   3.469  44.202
  207   2H2     G  19          2H2         G  19  -7.929   3.623  42.569
  208   1H5*    C  20          1H5*        C  20  -7.166   8.055  37.984
  209   2H5*    C  20          2H5*        C  20  -6.920   9.801  37.981
  210    H4*    C  20           H4*        C  20  -8.262   9.123  39.791
  211    H3*    C  20           H3*        C  20  -5.548  10.274  40.609
  212    H2*    C  20           H2*        C  20  -6.239   9.957  42.932
  213   2HO*    C  20          2HO*        C  20  -8.213   9.825  43.567
  214    H1*    C  20           H1*        C  20  -7.549   7.530  42.599
  215   1H4     C  20          1H4         C  20  -2.029   5.704  45.044
  216   2H4     C  20          2H4         C  20  -1.223   5.932  43.529
  217    H5     C  20           H5         C  20  -2.315   6.849  41.569
  218    H6     C  20           H6         C  20  -4.436   7.731  40.705
  219   1H5*    A  21          1H5*        A  21  -6.126  14.420  43.199
  220   2H5*    A  21          2H5*        A  21  -5.032  13.068  43.490
  221    H4*    A  21           H4*        A  21  -7.558  13.761  44.934
  222    H3*    A  21           H3*        A  21  -4.693  14.126  45.757
  223    H2*    A  21           H2*        A  21  -5.204  13.160  47.924
  224   2HO*    A  21          2HO*        A  21  -7.156  12.938  48.716
  225    H1*    A  21           H1*        A  21  -6.685  11.000  47.238
  226    H8     A  21           H8         A  21  -4.485  10.790  44.320
  227   1H6     A  21          1H6         A  21  -0.130   8.490  48.035
  228   2H6     A  21          2H6         A  21  -0.615   8.746  46.394
  229    H2     A  21           H2         A  21  -3.387  10.220  50.592
  230   1H5*    C  22          1H5*        C  22  -6.779  15.407  49.013
  231   2H5*    C  22          2H5*        C  22  -6.263  17.067  49.311
  232    H4*    C  22           H4*        C  22  -6.272  15.644  51.274
  233    H3*    C  22           H3*        C  22  -3.685  17.035  50.499
  234    H2*    C  22           H2*        C  22  -2.628  15.929  52.438
  235   2HO*    C  22          2HO*        C  22  -3.691  15.002  53.997
  236    H1*    C  22           H1*        C  22  -3.608  13.432  52.036
  237   1H4     C  22          1H4         C  22   1.853  13.609  48.783
  238   2H4     C  22          2H4         C  22   0.929  13.607  47.319
  239    H5     C  22           H5         C  22  -1.485  13.828  47.272
  240    H6     C  22           H6         C  22  -3.484  14.096  48.669
  241   1H5*    G  23          1H5*        G  23  -4.066  17.600  54.568
  242   2H5*    G  23          2H5*        G  23  -3.803  19.313  54.899
  243    H4*    G  23           H4*        G  23  -2.530  17.741  56.265
  244    H3*    G  23           H3*        G  23  -1.026  19.909  54.721
  245    H2*    G  23           H2*        G  23   1.034  19.018  55.748
  246   2HO*    G  23          2HO*        G  23   1.071  17.757  57.426
  247    H1*    G  23           H1*        G  23   0.461  16.354  55.426
  248    H8     G  23           H8         G  23  -0.713  17.446  52.109
  249    H1     G  23           H1         G  23   5.658  17.832  52.710
  250   1H2     G  23          1H2         G  23   6.259  17.661  54.879
  251   2H2     G  23          2H2         G  23   5.050  17.457  56.079
  252   1H5*    G  24          1H5*        G  24   0.437  20.904  58.501
  253   2H5*    G  24          2H5*        G  24   0.550  22.663  58.490
  254    H4*    G  24           H4*        G  24   2.642  21.461  58.824
  255    H3*    G  24           H3*        G  24   2.462  23.476  56.532
  256    H2*    G  24           H2*        G  24   4.827  22.952  56.067
  257   2HO*    G  24          2HO*        G  24   6.117  22.004  57.418
  258    H1*    G  24           H1*        G  24   4.652  20.229  56.382
  259    H8     G  24           H8         G  24   1.496  20.854  54.496
  260    H1     G  24           H1         G  24   6.766  21.322  50.875
  261   1H2     G  24          1H2         G  24   8.611  21.407  52.173
  262   2H2     G  24          2H2         G  24   8.451  21.342  53.879
  263   1H5*    C  25          1H5*        C  25   6.094  24.664  58.493
  264   2H5*    C  25          2H5*        C  25   5.922  26.418  58.553
  265    H4*    C  25           H4*        C  25   7.987  25.718  57.593
  266    H3*    C  25           H3*        C  25   6.136  27.307  55.751
  267    H2*    C  25           H2*        C  25   7.919  27.142  54.049
  268   2HO*    C  25          2HO*        C  25   9.910  26.582  54.468
  269    H1*    C  25           H1*        C  25   8.542  24.504  54.453
  270   1H4     C  25          1H4         C  25   4.416  24.217  49.677
  271   2H4     C  25          2H4         C  25   3.088  24.181  50.786
  272    H5     C  25           H5         C  25   3.350  24.441  53.182
  273    H6     C  25           H6         C  25   4.989  24.789  54.975
  274   1H5*    A  26          1H5*        A  26  10.147  29.109  55.469
  275   2H5*    A  26          2H5*        A  26   9.765  30.824  55.320
  276    H4*    A  26           H4*        A  26  11.243  29.948  53.613
  277    H3*    A  26           H3*        A  26   8.643  31.275  52.708
  278    H2*    A  26           H2*        A  26   9.405  30.853  50.391
  279   2HO*    A  26          2HO*        A  26  11.382  30.296  49.877
  280    H1*    A  26           H1*        A  26  10.261  28.284  50.772
  281    H8     A  26           H8         A  26   7.083  28.684  52.834
  282   1H6     A  26          1H6         A  26   4.057  27.150  47.681
  283   2H6     A  26          2H6         A  26   3.920  27.444  49.381
  284    H2     A  26           H2         A  26   8.378  27.768  46.641
  285   1H5*    A  27          1H5*        A  27  11.902  33.095  50.401
  286   2H5*    A  27          2H5*        A  27  11.258  34.664  49.923
  287    H4*    A  27           H4*        A  27  11.976  32.991  48.178
  288    H3*    A  27           H3*        A  27   9.388  34.606  47.959
  289    H2*    A  27           H2*        A  27   8.999  33.448  45.823
  290   2HO*    A  27          2HO*        A  27  10.484  32.621  44.677
  291    H1*    A  27           H1*        A  27   9.797  30.938  46.629
  292    H8     A  27           H8         A  27   7.782  32.107  49.562
  293   1H6     A  27          1H6         A  27   2.753  30.503  46.369
  294   2H6     A  27          2H6         A  27   3.368  30.987  47.912
  295    H2     A  27           H2         A  27   6.278  30.380  43.594
  296   1H5*    G  28          1H5*        G  28  10.283  37.096  43.457
  297   2H5*    G  28          2H5*        G  28   8.704  37.091  44.243
  298    H4*    G  28           H4*        G  28   9.758  35.502  42.013
  299    H3*    G  28           H3*        G  28   7.158  36.938  42.509
  300    H2*    G  28           H2*        G  28   5.988  35.168  41.308
  301   2HO*    G  28          2HO*        G  28   6.928  33.741  40.050
  302    H1*    G  28           H1*        G  28   7.140  32.967  42.384
  303    H8     G  28           H8         G  28   7.268  34.550  45.596
  304    H1     G  28           H1         G  28   1.208  33.795  43.643
  305   1H2     G  28          1H2         G  28   1.140  33.370  41.427
  306   2H2     G  28          2H2         G  28   2.602  33.290  40.534
  307   1H5*    A  29          1H5*        A  29   7.215  38.030  38.158
  308   2H5*    A  29          2H5*        A  29   6.862  39.751  38.317
  309    H4*    A  29           H4*        A  29   5.269  38.493  36.995
  310    H3*    A  29           H3*        A  29   4.218  40.031  39.419
  311    H2*    A  29           H2*        A  29   1.967  39.242  38.756
  312   2HO*    A  29          2HO*        A  29   1.600  38.192  36.869
  313    H1*    A  29           H1*        A  29   2.652  36.649  38.228
  314    H8     A  29           H8         A  29   4.705  36.639  41.162
  315   1H6     A  29          1H6         A  29  -0.333  36.995  44.706
  316   2H6     A  29          2H6         A  29   1.363  36.655  44.668
  317    H2     A  29           H2         A  29  -1.498  38.040  40.499
  318   1H5*    G  30          1H5*        G  30   2.114  41.758  37.233
  319   2H5*    G  30          2H5*        G  30   2.460  43.392  36.672
  320    H4*    G  30           H4*        G  30   1.019  44.362  38.065
  321    H3*    G  30           H3*        G  30   1.948  43.050  40.231
  322    H2*    G  30           H2*        G  30   0.891  40.867  39.789
  323   2HO*    G  30          2HO*        G  30  -0.870  40.725  41.097
  324    H1*    G  30           H1*        G  30  -1.687  42.329  39.112
  325    H8     G  30           H8         G  30   0.222  40.123  36.597
  326    H1     G  30           H1         G  30  -4.982  37.496  39.265
  327   1H2     G  30          1H2         G  30  -5.777  38.817  40.913
  328   2H2     G  30          2H2         G  30  -4.981  40.293  41.276
  329   1H5*    G  31          1H5*        G  31  -0.795  46.519  42.543
  330   2H5*    G  31          2H5*        G  31  -0.069  45.934  44.039
  331    H4*    G  31           H4*        G  31  -1.413  44.373  41.884
  332    H3*    G  31           H3*        G  31  -2.484  45.357  44.408
  333    H2*    G  31           H2*        G  31  -2.168  43.386  45.618
  334   2HO*    G  31          2HO*        G  31  -3.481  41.695  45.071
  335    H1*    G  31           H1*        G  31  -1.720  41.717  43.105
  336    H8     G  31           H8         G  31  -1.606  39.496  44.453
  337    H1     G  31           H1         G  31   3.198  41.900  47.953
  338   1H2     G  31          1H2         G  31   3.462  44.100  47.526
  339   2H2     G  31          2H2         G  31   2.433  44.873  46.392
  340   1H5*    C  32          1H5*        C  32  -7.144  46.220  41.729
  341   2H5*    C  32          2H5*        C  32  -6.426  45.362  43.092
  342    H4*    C  32           H4*        C  32  -7.437  44.235  40.525
  343    H3*    C  32           H3*        C  32  -8.686  44.185  43.291
  344    H2*    C  32           H2*        C  32  -9.384  41.864  42.832
  345   2HO*    C  32          2HO*        C  32 -10.026  42.064  40.781
  346    H1*    C  32           H1*        C  32  -7.049  40.937  41.816
  347   1H4     C  32          1H4         C  32  -6.363  39.749  47.979
  348   2H4     C  32          2H4         C  32  -5.615  41.292  48.216
  349    H5     C  32           H5         C  32  -5.438  42.964  46.469
  350    H6     C  32           H6         C  32  -5.968  43.451  44.123
  351   1H5*    G  33          1H5*        G  33 -12.399  43.451  41.767
  352   2H5*    G  33          2H5*        G  33 -13.366  44.784  42.396
  353    H4*    G  33           H4*        G  33 -14.241  42.738  43.149
  354    H3*    G  33           H3*        G  33 -13.054  44.471  45.340
  355    H2*    G  33           H2*        G  33 -13.615  42.675  46.935
  356   2HO*    G  33          2HO*        G  33 -14.911  41.062  46.503
  357    H1*    G  33           H1*        G  33 -12.686  40.567  45.506
  358    H8     G  33           H8         G  33 -10.071  43.013  44.503
  359    H1     G  33           H1         G  33  -9.470  40.977  50.552
  360   1H2     G  33          1H2         G  33 -11.342  39.903  51.214
  361   2H2     G  33          2H2         G  33 -12.655  39.738  50.123
  362   1H5*    U  34          1H5*        U  34 -16.615  42.979  46.986
  363   2H5*    U  34          2H5*        U  34 -17.430  44.405  47.627
  364    H4*    U  34           H4*        U  34 -17.314  42.655  49.219
  365    H3*    U  34           H3*        U  34 -15.774  45.186  49.969
  366    H2*    U  34           H2*        U  34 -15.224  44.046  52.095
  367   2HO*    U  34          2HO*        U  34 -16.188  42.284  52.780
  368    H1*    U  34           H1*        U  34 -14.597  41.607  51.028
  369    H3     U  34           H3         U  34 -10.541  43.061  52.169
  370    H5     U  34           H5         U  34 -11.408  45.180  48.656
  371    H6     U  34           H6         U  34 -13.627  44.254  48.725
  372   1H5*    C  35          1H5*        C  35 -17.763  44.328  53.570
  373   2H5*    C  35          2H5*        C  35 -18.610  45.844  53.878
  374    H4*    C  35           H4*        C  35 -17.498  45.253  55.800
  375    H3*    C  35           H3*        C  35 -16.112  47.609  54.426
  376    H2*    C  35           H2*        C  35 -14.531  47.615  56.302
  377   2HO*    C  35          2HO*        C  35 -14.867  46.620  58.153
  378    H1*    C  35           H1*        C  35 -14.262  44.875  56.554
  379   1H4     C  35          1H4         C  35  -9.140  46.465  53.216
  380   2H4     C  35          2H4         C  35 -10.049  46.446  51.743
  381    H5     C  35           H5         C  35 -12.448  46.102  51.666
  382    H6     C  35           H6         C  35 -14.444  45.705  53.039
  383    H3T    C  35           H3T        C  35 -17.037  48.177  56.711
  384   1H5*    G  36          1H5*        G  36  -0.229  45.554  59.239
  385   2H5*    G  36          2H5*        G  36  -1.153  46.470  58.026
  386    H4*    G  36           H4*        G  36  -2.016  45.730  60.790
  387    H3*    G  36           H3*        G  36  -2.706  44.377  58.156
  388    H2*    G  36           H2*        G  36  -5.005  44.105  59.020
  389   2HO*    G  36          2HO*        G  36  -5.554  44.396  61.048
  390    H1*    G  36           H1*        G  36  -5.345  46.617  59.991
  391    H8     G  36           H8         G  36  -3.250  47.147  56.868
  392    H1     G  36           H1         G  36  -9.527  46.378  55.812
  393   1H2     G  36          1H2         G  36 -10.565  45.687  57.694
  394   2H2     G  36          2H2         G  36  -9.654  45.451  59.128
  395    H5T    G  36           H5T        G  36   0.279  47.800  59.242
  396   1H5*    A  37          1H5*        A  37  -4.616  41.993  61.027
  397   2H5*    A  37          2H5*        A  37  -4.130  40.353  60.594
  398    H4*    A  37           H4*        A  37  -6.472  40.542  60.838
  399    H3*    A  37           H3*        A  37  -5.536  39.879  58.003
  400    H2*    A  37           H2*        A  37  -7.909  39.776  57.376
  401   2HO*    A  37          2HO*        A  37  -9.494  39.574  58.749
  402    H1*    A  37           H1*        A  37  -8.758  41.959  58.837
  403    H8     A  37           H8         A  37  -5.566  43.170  57.279
  404   1H6     A  37          1H6         A  37  -8.840  44.254  52.163
  405   2H6     A  37          2H6         A  37  -7.326  44.496  52.964
  406    H2     A  37           H2         A  37 -11.386  41.861  54.980
  407   1H5*    C  38          1H5*        C  38  -8.514  37.052  58.557
  408   2H5*    C  38          2H5*        C  38  -7.838  35.552  57.921
  409    H4*    C  38           H4*        C  38  -9.947  36.185  56.959
  410    H3*    C  38           H3*        C  38  -7.576  35.884  55.054
  411    H2*    C  38           H2*        C  38  -9.047  36.468  53.230
  412   2HO*    C  38          2HO*        C  38 -11.125  36.199  53.240
  413    H1*    C  38           H1*        C  38 -10.682  38.288  54.615
  414   1H4     C  38          1H4         C  38  -7.083  41.834  50.783
  415   2H4     C  38          2H4         C  38  -5.937  42.047  52.064
  416    H5     C  38           H5         C  38  -6.088  40.885  54.186
  417    H6     C  38           H6         C  38  -7.407  39.271  55.479
  418   1H5*    G  39          1H5*        G  39 -10.936  33.456  53.396
  419   2H5*    G  39          2H5*        G  39 -10.075  32.010  52.869
  420    H4*    G  39           H4*        G  39 -11.582  32.993  51.232
  421    H3*    G  39           H3*        G  39  -8.653  32.594  50.461
  422    H2*    G  39           H2*        G  39  -9.265  33.495  48.238
  423   2HO*    G  39          2HO*        G  39 -11.243  33.696  47.546
  424    H1*    G  39           H1*        G  39 -10.784  35.588  49.119
  425    H8     G  39           H8         G  39  -7.978  35.588  51.626
  426    H1     G  39           H1         G  39  -6.406  38.076  45.929
  427   1H2     G  39          1H2         G  39  -8.003  37.621  44.402
  428   2H2     G  39          2H2         G  39  -9.388  36.722  44.865
  429   1H5*    G  40          1H5*        G  40  -8.004  29.708  46.668
  430   2H5*    G  40          2H5*        G  40  -7.001  30.926  47.455
  431    H4*    G  40           H4*        G  40  -8.940  31.365  45.245
  432    H3*    G  40           H3*        G  40  -5.911  31.022  45.048
  433    H2*    G  40           H2*        G  40  -5.975  32.744  43.271
  434   2HO*    G  40          2HO*        G  40  -7.745  33.389  42.309
  435    H1*    G  40           H1*        G  40  -7.665  34.482  44.533
  436    H8     G  40           H8         G  40  -5.839  33.762  47.588
  437    H1     G  40           H1         G  40  -2.137  36.741  43.285
  438   1H2     G  40          1H2         G  40  -3.088  36.669  41.240
  439   2H2     G  40          2H2         G  40  -4.601  35.886  41.035
  440   1H5*    C  41          1H5*        C  41  -6.610  31.005  41.147
  441   2H5*    C  41          2H5*        C  41  -5.905  29.511  40.532
  442    H4*    C  41           H4*        C  41  -5.095  31.363  39.334
  443    H3*    C  41           H3*        C  41  -2.974  29.945  41.007
  444    H2*    C  41           H2*        C  41  -1.355  31.584  40.105
  445   2HO*    C  41          2HO*        C  41  -1.788  32.905  38.474
  446    H1*    C  41           H1*        C  41  -2.893  33.813  40.421
  447   1H4     C  41          1H4         C  41   0.378  33.669  45.823
  448   2H4     C  41          2H4         C  41  -0.823  32.662  46.557
  449    H5     C  41           H5         C  41  -2.716  31.754  45.344
  450    H6     C  41           H6         C  41  -3.809  31.657  43.150
  451   1H5*    U  42          1H5*        U  42  -1.008  29.216  37.483
  452   2H5*    U  42          2H5*        U  42  -0.780  27.470  37.395
  453    H4*    U  42           H4*        U  42   1.274  28.583  37.222
  454    H3*    U  42           H3*        U  42   0.980  26.960  39.798
  455    H2*    U  42           H2*        U  42   3.272  27.647  40.346
  456   2HO*    U  42          2HO*        U  42   4.639  28.478  38.939
  457    H1*    U  42           H1*        U  42   3.075  30.266  39.492
  458    H3     U  42           H3         U  42   3.450  30.948  43.873
  459    H5     U  42           H5         U  42  -0.441  29.445  43.449
  460    H6     U  42           H6         U  42   0.034  29.060  41.122
  461   1H5*    U  43          1H5*        U  43   4.685  25.964  37.835
  462   2H5*    U  43          2H5*        U  43   4.983  24.256  38.150
  463    H4*    U  43           H4*        U  43   6.814  25.754  38.681
  464    H3*    U  43           H3*        U  43   5.737  23.954  40.908
  465    H2*    U  43           H2*        U  43   7.471  24.909  42.353
  466   2HO*    U  43          2HO*        U  43   9.155  26.017  41.632
  467    H1*    U  43           H1*        U  43   7.279  27.524  41.468
  468    H3     U  43           H3         U  43   5.860  27.764  45.717
  469    H5     U  43           H5         U  43   2.539  26.341  43.590
  470    H6     U  43           H6         U  43   3.953  26.131  41.655
  471   1H5*    G  44          1H5*        G  44  10.040  23.673  40.528
  472   2H5*    G  44          2H5*        G  44  10.473  21.995  40.859
  473    H4*    G  44           H4*        G  44  11.780  23.631  42.076
  474    H3*    G  44           H3*        G  44  10.250  21.535  43.667
  475    H2*    G  44           H2*        G  44  11.154  22.590  45.711
  476   2HO*    G  44          2HO*        G  44  12.735  24.004  45.719
  477    H1*    G  44           H1*        G  44  10.678  25.178  45.036
  478    H8     G  44           H8         G  44   7.714  23.267  43.606
  479    H1     G  44           H1         G  44   7.301  24.642  49.855
  480   1H2     G  44          1H2         G  44   9.274  25.423  50.623
  481   2H2     G  44          2H2         G  44  10.603  25.569  49.551
  482   1H5*    C  45          1H5*        C  45  13.907  21.571  45.586
  483   2H5*    C  45          2H5*        C  45  14.383  19.875  45.685
  484    H4*    C  45           H4*        C  45  14.510  20.860  47.797
  485    H3*    C  45           H3*        C  45  12.268  18.795  47.577
  486    H2*    C  45           H2*        C  45  11.813  19.246  49.967
  487   2HO*    C  45          2HO*        C  45  13.133  20.280  51.251
  488    H1*    C  45           H1*        C  45  11.974  21.970  49.844
  489   1H4     C  45          1H4         C  45   5.790  21.019  49.024
  490   2H4     C  45          2H4         C  45   6.016  20.742  47.330
  491    H5     C  45           H5         C  45   8.200  20.652  46.280
  492    H6     C  45           H6         C  45  10.612  20.816  46.694
  493   1H5*    U  46          1H5*        U  46  14.073  17.652  51.038
  494   2H5*    U  46          2H5*        U  46  14.143  15.890  51.035
  495    H4*    U  46           H4*        U  46  13.015  16.725  52.939
  496    H3*    U  46           H3*        U  46  11.279  15.071  51.044
  497    H2*    U  46           H2*        U  46   9.445  15.399  52.669
  498   2HO*    U  46          2HO*        U  46   9.722  16.081  54.646
  499    H1*    U  46           H1*        U  46   9.872  18.062  53.141
  500    H3     U  46           H3         U  46   6.105  18.181  50.745
  501    H5     U  46           H5         U  46   9.109  17.605  47.878
  502    H6     U  46           H6         U  46  10.682  17.335  49.678
  503   1H5*    G  47          1H5*        G  47  10.643  13.780  54.920
  504   2H5*    G  47          2H5*        G  47  10.621  12.017  54.932
  505    H4*    G  47           H4*        G  47   8.760  13.072  56.052
  506    H3*    G  47           H3*        G  47   8.196  11.128  53.789
  507    H2*    G  47           H2*        G  47   5.899  11.625  53.839
  508   2HO*    G  47          2HO*        G  47   4.811  12.093  55.598
  509    H1*    G  47           H1*        G  47   6.065  14.223  55.083
  510    H8     G  47           H8         G  47   7.656  14.569  51.735
  511    H1     G  47           H1         G  47   1.251  14.409  51.494
  512   1H2     G  47          1H2         G  47   0.404  13.717  53.469
  513   2H2     G  47          2H2         G  47   1.466  13.327  54.757
  514   1H5*    A  48          1H5*        A  48   7.034   9.474  57.455
  515   2H5*    A  48          2H5*        A  48   6.949   7.735  57.735
  516    H4*    A  48           H4*        A  48   4.807   8.837  57.568
  517    H3*    A  48           H3*        A  48   5.460   6.532  55.756
  518    H2*    A  48           H2*        A  48   3.749   6.981  54.263
  519   2HO*    A  48          2HO*        A  48   1.742   7.606  54.919
  520    H1*    A  48           H1*        A  48   3.005   9.627  55.332
  521    H8     A  48           H8         A  48   5.974   9.095  52.920
  522   1H6     A  48          1H6         A  48   2.129  11.191  48.574
  523   2H6     A  48          2H6         A  48   3.750  10.698  48.927
  524    H2     A  48           H2         A  48  -0.181  10.744  52.396
  525   1H5*    A  49          1H5*        A  49   3.322   2.821  56.938
  526   2H5*    A  49          2H5*        A  49   3.846   2.646  55.263
  527    H4*    A  49           H4*        A  49   1.779   4.402  56.459
  528    H3*    A  49           H3*        A  49   1.478   2.107  54.895
  529    H2*    A  49           H2*        A  49   2.010   3.070  52.761
  530   2HO*    A  49          2HO*        A  49   0.068   2.806  52.190
  531    H1*    A  49           H1*        A  49   0.867   5.746  53.677
  532    H8     A  49           H8         A  49   4.518   5.124  52.635
  533   1H6     A  49          1H6         A  49   3.073   8.415  47.619
  534   2H6     A  49          2H6         A  49   4.346   7.636  48.497
  535    H2     A  49           H2         A  49  -0.681   7.736  49.984
  536   1H5*    G  50          1H5*        G  50  -2.538   4.764  55.596
  537   2H5*    G  50          2H5*        G  50  -3.659   3.421  55.811
  538    H4*    G  50           H4*        G  50  -4.800   5.218  54.896
  539    H3*    G  50           H3*        G  50  -4.441   2.949  52.879
  540    H2*    G  50           H2*        G  50  -5.733   4.327  51.298
  541   2HO*    G  50          2HO*        G  50  -6.931   5.966  51.856
  542    H1*    G  50           H1*        G  50  -4.554   6.741  51.889
  543    H8     G  50           H8         G  50  -1.500   4.641  51.827
  544    H1     G  50           H1         G  50  -3.998   5.594  46.001
  545   1H2     G  50          1H2         G  50  -6.088   6.432  46.165
  546   2H2     G  50          2H2         G  50  -6.767   6.719  47.713
  547   1H5*    C  51          1H5*        C  51  -8.639   3.732  52.698
  548   2H5*    C  51          2H5*        C  51  -9.360   2.122  52.672
  549    H4*    C  51           H4*        C  51 -10.123   3.516  50.895
  550    H3*    C  51           H3*        C  51  -8.623   0.989  50.054
  551    H2*    C  51           H2*        C  51  -9.074   1.661  47.723
  552   2HO*    C  51          2HO*        C  51 -10.506   3.101  47.160
  553    H1*    C  51           H1*        C  51  -8.513   4.333  48.015
  554   1H4     C  51          1H4         C  51  -3.037   2.049  45.856
  555   2H4     C  51          2H4         C  51  -2.556   1.586  47.454
  556    H5     C  51           H5         C  51  -4.006   1.785  49.386
  557    H6     C  51           H6         C  51  -6.236   2.486  50.134
  558   1H5*    G  52          1H5*        G  52 -12.163   1.054  47.630
  559   2H5*    G  52          2H5*        G  52 -12.624  -0.646  47.532
  560    H4*    G  52           H4*        G  52 -12.375   0.411  45.397
  561    H3*    G  52           H3*        G  52 -10.538  -1.967  45.964
  562    H2*    G  52           H2*        G  52  -9.669  -1.667  43.677
  563   2HO*    G  52          2HO*        G  52 -10.629  -0.545  42.178
  564    H1*    G  52           H1*        G  52  -9.507   1.076  43.718
  565    H8     G  52           H8         G  52  -8.299  -0.239  47.105
  566    H1     G  52           H1         G  52  -3.882  -0.130  42.460
  567   1H2     G  52          1H2         G  52  -4.839   0.336  40.470
  568   2H2     G  52          2H2         G  52  -6.532   0.601  40.386
  569   1H5*    C  53          1H5*        C  53 -12.356  -2.679  42.085
  570   2H5*    C  53          2H5*        C  53 -12.569  -4.430  42.037
  571    H4*    C  53           H4*        C  53 -11.367  -3.516  40.161
  572    H3*    C  53           H3*        C  53  -9.922  -5.609  41.860
  573    H2*    C  53           H2*        C  53  -8.046  -5.407  40.280
  574   2HO*    C  53          2HO*        C  53  -8.193  -4.553  38.362
  575    H1*    C  53           H1*        C  53  -8.108  -2.667  40.002
  576   1H4     C  53          1H4         C  53  -3.596  -3.407  44.347
  577   2H4     C  53          2H4         C  53  -4.770  -3.633  45.599
  578    H5     C  53           H5         C  53  -7.155  -3.738  45.179
  579    H6     C  53           H6         C  53  -8.871  -3.639  43.427
  580   1H5*    G  54          1H5*        G  54  -9.644  -7.365  37.785
  581   2H5*    G  54          2H5*        G  54  -9.326  -9.057  38.171
  582    H4*    G  54           H4*        G  54  -7.628  -7.676  36.906
  583    H3*    G  54           H3*        G  54  -6.868  -9.592  39.166
  584    H2*    G  54           H2*        G  54  -4.539  -8.924  38.787
  585   2HO*    G  54          2HO*        G  54  -3.840  -7.979  37.034
  586    H1*    G  54           H1*        G  54  -5.000  -6.229  38.368
  587    H8     G  54           H8         G  54  -7.136  -6.864  41.364
  588    H1     G  54           H1         G  54  -0.864  -6.722  42.685
  589   1H2     G  54          1H2         G  54   0.345  -6.813  40.783
  590   2H2     G  54          2H2         G  54  -0.458  -6.904  39.271
  591   1H5*    C  55          1H5*        C  55  -4.232 -11.122  36.381
  592   2H5*    C  55          2H5*        C  55  -4.437 -12.870  36.487
  593    H4*    C  55           H4*        C  55  -2.199 -12.229  36.852
  594    H3*    C  55           H3*        C  55  -3.567 -13.485  39.284
  595    H2*    C  55           H2*        C  55  -1.443 -13.246  40.467
  596   2HO*    C  55          2HO*        C  55   0.410 -13.098  39.541
  597    H1*    C  55           H1*        C  55  -0.715 -10.776  39.421
  598   1H4     C  55          1H4         C  55  -2.891  -9.192  45.125
  599   2H4     C  55          2H4         C  55  -4.533  -9.369  44.604
  600    H5     C  55           H5         C  55  -5.148 -10.169  42.401
  601    H6     C  55           H6         C  55  -4.260 -10.963  40.256
  602   1H5*    A  56          1H5*        A  56  -1.403 -17.686  40.564
  603   2H5*    A  56          2H5*        A  56  -1.943 -16.351  41.582
  604    H4*    A  56           H4*        A  56   0.852 -17.082  40.804
  605    H3*    A  56           H3*        A  56  -0.613 -17.523  43.386
  606    H2*    A  56           H2*        A  56   1.280 -16.628  44.606
  607   2HO*    A  56          2HO*        A  56   3.233 -16.404  43.814
  608    H1*    A  56           H1*        A  56   1.893 -14.419  43.168
  609    H8     A  56           H8         A  56  -1.719 -14.146  42.627
  610   1H6     A  56          1H6         A  56  -2.198 -12.031  48.403
  611   2H6     A  56          2H6         A  56  -3.004 -12.226  46.885
  612    H2     A  56           H2         A  56   1.898 -13.791  47.886
  613   1H5*    C  57          1H5*        C  57   3.137 -18.887  44.206
  614   2H5*    C  57          2H5*        C  57   2.950 -20.562  44.726
  615    H4*    C  57           H4*        C  57   4.343 -19.192  46.173
  616    H3*    C  57           H3*        C  57   1.943 -20.621  47.369
  617    H2*    C  57           H2*        C  57   2.541 -19.594  49.536
  618   2HO*    C  57          2HO*        C  57   4.393 -18.685  49.944
  619    H1*    C  57           H1*        C  57   2.968 -17.065  48.657
  620   1H4     C  57          1H4         C  57  -3.216 -17.276  50.118
  621   2H4     C  57          2H4         C  57  -3.573 -17.220  48.425
  622    H5     C  57           H5         C  57  -1.875 -17.388  46.703
  623    H6     C  57           H6         C  57   0.532 -17.648  46.304
  624   1H5*    G  58          1H5*        G  58   5.043 -21.304  50.004
  625   2H5*    G  58          2H5*        G  58   5.061 -23.027  50.378
  626    H4*    G  58           H4*        G  58   5.093 -21.487  52.281
  627    H3*    G  58           H3*        G  58   2.955 -23.670  52.159
  628    H2*    G  58           H2*        G  58   2.170 -22.836  54.343
  629   2HO*    G  58          2HO*        G  58   3.298 -21.607  55.616
  630    H1*    G  58           H1*        G  58   2.364 -20.153  53.785
  631    H8     G  58           H8         G  58   0.891 -21.198  50.564
  632    H1     G  58           H1         G  58  -3.264 -21.605  55.432
  633   1H2     G  58          1H2         G  58  -2.182 -21.459  57.407
  634   2H2     G  58          2H2         G  58  -0.478 -21.265  57.428
  635   1H5*    G  59          1H5*        G  59   4.523 -24.764  55.875
  636   2H5*    G  59          2H5*        G  59   4.418 -26.525  55.897
  637    H4*    G  59           H4*        G  59   3.142 -25.347  57.610
  638    H3*    G  59           H3*        G  59   1.685 -27.321  55.785
  639    H2*    G  59           H2*        G  59  -0.347 -26.819  57.082
  640   2HO*    G  59          2HO*        G  59  -0.351 -25.928  58.978
  641    H1*    G  59           H1*        G  59   0.022 -24.099  57.275
  642    H8     G  59           H8         G  59   0.961 -24.640  53.704
  643    H1     G  59           H1         G  59  -5.347 -25.057  54.774
  644   1H2     G  59          1H2         G  59  -5.765 -25.196  56.988
  645   2H2     G  59          2H2         G  59  -4.459 -25.177  58.101
  646   1H5*    C  60          1H5*        C  60   0.421 -28.654  59.686
  647   2H5*    C  60          2H5*        C  60   0.549 -30.406  59.524
  648    H4*    C  60           H4*        C  60  -1.598 -29.665  60.281
  649    H3*    C  60           H3*        C  60  -1.544 -31.200  57.637
  650    H2*    C  60           H2*        C  60  -4.001 -30.987  57.620
  651   2HO*    C  60          2HO*        C  60  -5.159 -30.455  59.304
  652    H1*    C  60           H1*        C  60  -4.132 -28.366  58.432
  653   1H4     C  60          1H4         C  60  -4.481 -27.890  52.140
  654   2H4     C  60          2H4         C  60  -2.753 -27.871  52.016
  655    H5     C  60           H5         C  60  -1.283 -28.205  53.914
  656    H6     C  60           H6         C  60  -1.220 -28.629  56.330
  657   1H5*    A  61          1H5*        A  61  -4.664 -32.912  60.139
  658   2H5*    A  61          2H5*        A  61  -4.548 -34.641  59.812
  659    H4*    A  61           H4*        A  61  -6.764 -33.741  59.572
  660    H3*    A  61           H3*        A  61  -5.530 -35.059  57.105
  661    H2*    A  61           H2*        A  61  -7.676 -34.591  55.964
  662   2HO*    A  61          2HO*        A  61  -9.451 -33.997  56.973
  663    H1*    A  61           H1*        A  61  -7.995 -32.029  56.864
  664    H8     A  61           H8         A  61  -4.281 -32.510  56.134
  665   1H6     A  61          1H6         A  61  -5.642 -30.812  50.361
  666   2H6     A  61          2H6         A  61  -4.372 -31.167  51.482
  667    H2     A  61           H2         A  61  -9.489 -31.364  52.608
  668   1H5*    A  62          1H5*        A  62  -9.515 -36.753  57.686
  669   2H5*    A  62          2H5*        A  62  -9.448 -38.330  56.898
  670    H4*    A  62           H4*        A  62 -11.117 -36.609  56.139
  671    H3*    A  62           H3*        A  62  -9.444 -38.250  54.173
  672    H2*    A  62           H2*        A  62 -10.608 -37.048  52.374
  673   2HO*    A  62          2HO*        A  62 -12.452 -36.163  52.579
  674    H1*    A  62           H1*        A  62 -10.586 -34.549  53.542
  675    H8     A  62           H8         A  62  -7.116 -35.797  54.215
  676   1H6     A  62          1H6         A  62  -5.715 -34.105  48.449
  677   2H6     A  62          2H6         A  62  -5.087 -34.632  49.974
  678    H2     A  62           H2         A  62 -10.173 -33.903  48.928
  679   1H5*    G  63          1H5*        G  63 -13.457 -40.460  51.574
  680   2H5*    G  63          2H5*        G  63 -11.790 -40.724  51.061
  681    H4*    G  63           H4*        G  63 -13.846 -38.917  50.083
  682    H3*    G  63           H3*        G  63 -11.603 -40.465  48.750
  683    H2*    G  63           H2*        G  63 -11.574 -38.736  46.993
  684   2HO*    G  63          2HO*        G  63 -13.094 -37.268  46.741
  685    H1*    G  63           H1*        G  63 -11.647 -36.543  48.584
  686    H8     G  63           H8         G  63  -9.473 -38.171  50.942
  687    H1     G  63           H1         G  63  -6.539 -37.355  45.301
  688   1H2     G  63          1H2         G  63  -8.045 -36.894  43.687
  689   2H2     G  63          2H2         G  63  -9.712 -36.806  44.082
  690   1H5*    A  64          1H5*        A  64 -14.668 -41.576  45.625
  691   2H5*    A  64          2H5*        A  64 -14.275 -43.287  45.460
  692    H4*    A  64           H4*        A  64 -14.089 -41.955  43.430
  693    H3*    A  64           H3*        A  64 -11.653 -43.551  44.359
  694    H2*    A  64           H2*        A  64 -10.512 -42.713  42.331
  695   2HO*    A  64          2HO*        A  64 -11.570 -41.601  40.763
  696    H1*    A  64           H1*        A  64 -11.356 -40.114  42.508
  697    H8     A  64           H8         A  64 -10.721 -40.208  46.033
  698   1H6     A  64          1H6         A  64  -4.658 -40.569  44.946
  699   2H6     A  64          2H6         A  64  -5.879 -40.256  46.132
  700    H2     A  64           H2         A  64  -6.828 -41.493  41.128
  701   1H5*    G  65          1H5*        G  65 -11.745 -45.195  41.267
  702   2H5*    G  65          2H5*        G  65 -12.401 -46.821  41.071
  703    H4*    G  65           H4*        G  65 -10.407 -47.804  41.003
  704    H3*    G  65           H3*        G  65  -9.523 -46.576  43.236
  705    H2*    G  65           H2*        G  65  -9.064 -44.363  42.250
  706   2HO*    G  65          2HO*        G  65  -6.893 -44.233  41.937
  707    H1*    G  65           H1*        G  65  -7.730 -45.760  39.903
  708    H8     G  65           H8         G  65 -10.836 -43.512  39.541
  709    H1     G  65           H1         G  65  -5.240 -40.879  37.853
  710   1H2     G  65          1H2         G  65  -3.527 -42.235  38.417
  711   2H2     G  65          2H2         G  65  -3.849 -43.734  39.185
  712   1H5*    G  66          1H5*        G  66  -5.958 -50.016  42.882
  713   2H5*    G  66          2H5*        G  66  -5.430 -49.467  44.472
  714    H4*    G  66           H4*        G  66  -5.988 -47.842  42.035
  715    H3*    G  66           H3*        G  66  -3.449 -48.865  43.038
  716    H2*    G  66           H2*        G  66  -2.798 -46.921  44.147
  717   2HO*    G  66          2HO*        G  66  -2.268 -45.199  42.865
  718    H1*    G  66           H1*        G  66  -4.897 -45.210  42.750
  719    H8     G  66           H8         G  66  -3.993 -43.026  43.842
  720    H1     G  66           H1         G  66  -4.930 -45.584  49.647
  721   1H2     G  66          1H2         G  66  -5.442 -47.776  49.471
  722   2H2     G  66          2H2         G  66  -5.525 -48.505  47.921
  723   1H5*    C  67          1H5*        C  67  -2.058 -49.636  37.831
  724   2H5*    C  67          2H5*        C  67  -1.597 -48.819  39.324
  725    H4*    C  67           H4*        C  67  -2.679 -47.619  36.819
  726    H3*    C  67           H3*        C  67   0.157 -47.627  37.900
  727    H2*    C  67           H2*        C  67   0.354 -45.286  37.151
  728   2HO*    C  67          2HO*        C  67  -0.636 -45.421  35.239
  729    H1*    C  67           H1*        C  67  -2.009 -44.357  38.099
  730   1H4     C  67          1H4         C  67   1.850 -43.357  42.996
  731   2H4     C  67          2H4         C  67   1.470 -44.918  43.643
  732    H5     C  67           H5         C  67   0.099 -46.541  42.476
  733    H6     C  67           H6         C  67  -1.180 -46.952  40.423
  734   1H5*    G  68          1H5*        G  68   1.702 -46.770  34.231
  735   2H5*    G  68          2H5*        G  68   2.817 -48.104  33.933
  736    H4*    G  68           H4*        G  68   3.992 -46.073  33.911
  737    H3*    G  68           H3*        G  68   4.691 -47.887  36.241
  738    H2*    G  68           H2*        G  68   6.234 -46.131  37.027
  739   2HO*    G  68          2HO*        G  68   6.865 -44.491  35.857
  740    H1*    G  68           H1*        G  68   4.588 -43.995  36.745
  741    H8     G  68           H8         G  68   2.008 -46.454  37.808
  742    H1     G  68           H1         G  68   5.880 -44.603  42.571
  743   1H2     G  68          1H2         G  68   7.680 -43.517  41.748
  744   2H2     G  68          2H2         G  68   7.838 -43.299  40.054
  745   1H5*    U  69          1H5*        U  69   8.399 -46.415  34.924
  746   2H5*    U  69          2H5*        U  69   9.411 -47.852  34.775
  747    H4*    U  69           H4*        U  69  10.458 -46.135  36.036
  748    H3*    U  69           H3*        U  69   9.880 -48.715  37.572
  749    H2*    U  69           H2*        U  69  10.989 -47.643  39.504
  750   2HO*    U  69          2HO*        U  69  12.171 -45.887  39.370
  751    H1*    U  69           H1*        U  69   9.813 -45.183  39.258
  752    H3     U  69           H3         U  69   7.744 -46.741  42.891
  753    H5     U  69           H5         U  69   5.841 -48.727  39.726
  754    H6     U  69           H6         U  69   7.470 -47.772  38.236
  755   1H5*    C  70          1H5*        C  70  13.837 -47.972  38.756
  756   2H5*    C  70          2H5*        C  70  14.625 -49.493  38.341
  757    H4*    C  70           H4*        C  70  15.165 -48.961  40.518
  758    H3*    C  70           H3*        C  70  13.206 -51.310  40.403
  759    H2*    C  70           H2*        C  70  13.344 -51.401  42.842
  760   2HO*    C  70          2HO*        C  70  14.887 -50.487  43.991
  761    H1*    C  70           H1*        C  70  13.419 -48.662  43.308
  762   1H4     C  70          1H4         C  70   7.419 -50.153  44.604
  763   2H4     C  70          2H4         C  70   7.000 -50.076  42.927
  764    H5     C  70           H5         C  70   8.627 -49.720  41.166
  765    H6     C  70           H6         C  70  11.012 -49.365  40.706
  766    H3T    C  70           H3T        C  70  15.454 -51.920  41.390
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   2.741 -48.510  55.940
    2   2H5*    G   1          2H5*        G   1   2.363 -49.365  54.427
    3    H4*    G   1           H4*        G   1   5.054 -48.878  55.610
    4    H3*    G   1           H3*        G   1   3.674 -47.370  53.337
    5    H2*    G   1           H2*        G   1   5.893 -47.202  52.279
    6   2HO*    G   1          2HO*        G   1   7.721 -47.555  53.289
    7    H1*    G   1           H1*        G   1   6.732 -49.765  52.810
    8    H8     G   1           H8         G   1   3.036 -49.730  51.719
    9    H1     G   1           H1         G   1   7.348 -50.135  46.992
   10   1H2     G   1          1H2         G   1   9.434 -49.842  47.800
   11   2H2     G   1          2H2         G   1   9.663 -49.561  49.476
   12    H5T    G   1           H5T        G   1   2.234 -50.731  56.276
   13   1H5*    A   2          1H5*        A   2   7.217 -45.228  54.194
   14   2H5*    A   2          2H5*        A   2   6.753 -43.530  54.097
   15    H4*    A   2           H4*        A   2   8.644 -44.110  52.746
   16    H3*    A   2           H3*        A   2   6.204 -42.978  51.302
   17    H2*    A   2           H2*        A   2   7.362 -43.225  49.216
   18   2HO*    A   2          2HO*        A   2   9.485 -43.279  49.009
   19    H1*    A   2           H1*        A   2   8.911 -45.497  49.884
   20    H8     A   2           H8         A   2   5.252 -46.272  50.461
   21   1H6     A   2          1H6         A   2   5.016 -47.798  44.488
   22   2H6     A   2          2H6         A   2   4.174 -47.816  46.000
   23    H2     A   2           H2         A   2   8.971 -45.830  45.280
   24   1H5*    C   3          1H5*        C   3   9.755 -40.952  49.693
   25   2H5*    C   3          2H5*        C   3   9.223 -39.271  49.716
   26    H4*    C   3           H4*        C   3  10.134 -39.792  47.632
   27    H3*    C   3           H3*        C   3   7.116 -39.312  47.523
   28    H2*    C   3           H2*        C   3   7.281 -39.664  45.091
   29   2HO*    C   3          2HO*        C   3   9.072 -39.568  43.998
   30    H1*    C   3           H1*        C   3   9.019 -41.798  45.159
   31   1H4     C   3          1H4         C   3   3.688 -45.113  44.855
   32   2H4     C   3          2H4         C   3   2.979 -44.258  46.183
   33    H5     C   3           H5         C   3   4.114 -42.476  47.372
   34    H6     C   3           H6         C   3   6.190 -41.173  47.490
   35   1H5*    G   4          1H5*        G   4   8.748 -36.994  44.338
   36   2H5*    G   4          2H5*        G   4   7.896 -35.455  44.463
   37    H4*    G   4           H4*        G   4   7.855 -36.422  42.262
   38    H3*    G   4           H3*        G   4   5.159 -35.931  43.613
   39    H2*    G   4           H2*        G   4   4.122 -36.784  41.532
   40   2HO*    G   4          2HO*        G   4   5.266 -35.907  40.000
   41    H1*    G   4           H1*        G   4   5.764 -38.938  41.183
   42    H8     G   4           H8         G   4   5.325 -38.960  44.915
   43    H1     G   4           H1         G   4   0.259 -41.184  41.675
   44   1H2     G   4          1H2         G   4   0.457 -40.709  39.478
   45   2H2     G   4          2H2         G   4   1.838 -39.864  38.915
   46   1H5*    G   5          1H5*        G   5   2.263 -32.884  41.368
   47   2H5*    G   5          2H5*        G   5   2.015 -34.194  42.522
   48    H4*    G   5           H4*        G   5   1.963 -34.417  39.553
   49    H3*    G   5           H3*        G   5  -0.399 -34.036  41.433
   50    H2*    G   5           H2*        G   5  -1.631 -35.661  40.032
   51   2HO*    G   5          2HO*        G   5  -0.994 -36.296  38.115
   52    H1*    G   5           H1*        G   5   0.332 -37.525  39.809
   53    H8     G   5           H8         G   5   1.101 -36.687  43.305
   54    H1     G   5           H1         G   5  -4.513 -39.720  42.691
   55   1H2     G   5          1H2         G   5  -5.173 -39.731  40.533
   56   2H2     G   5          2H2         G   5  -4.189 -38.987  39.341
   57   1H5*    C   6          1H5*        C   6  -2.454 -33.847  38.130
   58   2H5*    C   6          2H5*        C   6  -3.288 -32.293  38.109
   59    H4*    C   6           H4*        C   6  -4.832 -33.998  37.755
   60    H3*    C   6           H3*        C   6  -5.168 -32.659  40.477
   61    H2*    C   6           H2*        C   6  -7.091 -34.178  40.835
   62   2HO*    C   6          2HO*        C   6  -7.962 -35.371  39.283
   63    H1*    C   6           H1*        C   6  -5.907 -36.463  39.931
   64   1H4     C   6          1H4         C   6  -4.703 -36.718  46.125
   65   2H4     C   6          2H4         C   6  -3.271 -35.766  45.919
   66    H5     C   6           H5         C   6  -2.630 -34.773  43.803
   67    H6     C   6           H6         C   6  -3.277 -34.519  41.450
   68   1H5*    U   7          1H5*        U   7  -8.639 -31.042  38.880
   69   2H5*    U   7          2H5*        U   7  -8.658 -29.297  39.138
   70    H4*    U   7           H4*        U   7 -10.442 -30.397  40.244
   71    H3*    U   7           H3*        U   7  -8.437 -29.001  42.086
   72    H2*    U   7           H2*        U   7  -9.831 -29.706  43.962
   73   2HO*    U   7          2HO*        U   7 -11.857 -30.349  43.775
   74    H1*    U   7           H1*        U   7 -10.509 -32.222  42.993
   75    H3     U   7           H3         U   7  -8.148 -33.371  46.592
   76    H5     U   7           H5         U   7  -5.237 -32.023  43.893
   77    H6     U   7           H6         U   7  -7.013 -31.347  42.418
   78   1H5*    U   8          1H5*        U   8 -12.406 -27.728  43.067
   79   2H5*    U   8          2H5*        U   8 -12.313 -26.048  43.597
   80    H4*    U   8           H4*        U   8 -13.437 -27.586  45.110
   81    H3*    U   8           H3*        U   8 -11.085 -25.947  46.178
   82    H2*    U   8           H2*        U   8 -11.477 -27.000  48.347
   83   2HO*    U   8          2HO*        U   8 -13.283 -28.026  48.874
   84    H1*    U   8           H1*        U   8 -12.106 -29.541  47.416
   85    H3     U   8           H3         U   8  -8.322 -30.139  49.765
   86    H5     U   8           H5         U   8  -7.037 -28.699  46.042
   87    H6     U   8           H6         U   8  -9.339 -28.287  45.482
   88   1H5*    G   9          1H5*        G   9 -14.638 -25.595  48.702
   89   2H5*    G   9          2H5*        G   9 -14.656 -23.933  49.291
   90    H4*    G   9           H4*        G   9 -14.995 -25.604  51.006
   91    H3*    G   9           H3*        G   9 -12.661 -23.677  51.323
   92    H2*    G   9           H2*        G   9 -12.128 -24.848  53.435
   93   2HO*    G   9          2HO*        G   9 -13.441 -26.211  54.401
   94    H1*    G   9           H1*        G   9 -12.373 -27.395  52.523
   95    H8     G   9           H8         G   9 -10.873 -25.468  49.601
   96    H1     G   9           H1         G   9  -6.675 -27.332  54.074
   97   1H2     G   9          1H2         G   9  -7.756 -28.112  55.895
   98   2H2     G   9          2H2         G   9  -9.471 -28.138  55.917
   99   1H5*    C  10          1H5*        C  10 -14.235 -23.732  55.122
  100   2H5*    C  10          2H5*        C  10 -14.444 -22.035  55.558
  101    H4*    C  10           H4*        C  10 -13.254 -23.124  57.235
  102    H3*    C  10           H3*        C  10 -11.536 -21.139  55.676
  103    H2*    C  10           H2*        C  10  -9.689 -21.747  57.207
  104   2HO*    C  10          2HO*        C  10  -9.952 -22.798  59.019
  105    H1*    C  10           H1*        C  10 -10.071 -24.450  57.157
  106   1H4     C  10          1H4         C  10  -5.808 -23.682  52.567
  107   2H4     C  10          2H4         C  10  -7.049 -23.292  51.424
  108    H5     C  10           H5         C  10  -9.384 -23.055  52.030
  109    H6     C  10           H6         C  10 -10.974 -23.155  53.897
  110   1H5*    U  11          1H5*        U  11 -10.672 -20.166  59.541
  111   2H5*    U  11          2H5*        U  11 -10.619 -18.407  59.645
  112    H4*    U  11           H4*        U  11  -8.606 -19.374  60.401
  113    H3*    U  11           H3*        U  11  -8.323 -17.695  57.863
  114    H2*    U  11           H2*        U  11  -5.898 -18.186  57.985
  115   2HO*    U  11          2HO*        U  11  -4.935 -18.973  59.691
  116    H1*    U  11           H1*        U  11  -6.114 -20.850  58.555
  117    H3     U  11           H3         U  11  -4.721 -20.996  54.318
  118    H5     U  11           H5         U  11  -8.802 -20.087  54.004
  119    H6     U  11           H6         U  11  -8.868 -19.865  56.398
  120   1H5*    G  12          1H5*        G  12  -5.338 -16.650  60.480
  121   2H5*    G  12          2H5*        G  12  -5.207 -14.892  60.539
  122    H4*    G  12           H4*        G  12  -3.123 -16.065  60.202
  123    H3*    G  12           H3*        G  12  -3.983 -13.985  58.168
  124    H2*    G  12           H2*        G  12  -2.210 -14.545  56.730
  125   2HO*    G  12          2HO*        G  12  -0.281 -15.185  57.389
  126    H1*    G  12           H1*        G  12  -1.699 -17.209  57.721
  127    H8     G  12           H8         G  12  -5.050 -17.287  56.091
  128    H1     G  12           H1         G  12  -0.183 -17.349  51.918
  129   1H2     G  12          1H2         G  12   1.751 -16.818  52.953
  130   2H2     G  12          2H2         G  12   1.747 -16.474  54.633
  131   1H5*    A  13          1H5*        A  13  -0.521 -12.823  60.021
  132   2H5*    A  13          2H5*        A  13  -0.091 -11.138  60.312
  133    H4*    A  13           H4*        A  13   1.398 -12.288  58.812
  134    H3*    A  13           H3*        A  13   0.025  -9.778  57.930
  135    H2*    A  13           H2*        A  13   0.325 -10.160  55.672
  136   2HO*    A  13          2HO*        A  13   2.264 -10.917  54.868
  137    H1*    A  13           H1*        A  13   1.434 -12.899  55.920
  138    H8     A  13           H8         A  13  -2.347 -12.140  55.789
  139   1H6     A  13          1H6         A  13  -1.971 -13.988  49.915
  140   2H6     A  13          2H6         A  13  -3.032 -13.494  51.190
  141    H2     A  13           H2         A  13   2.181 -13.854  51.614
  142   1H5*    A  14          1H5*        A  14   2.753  -6.314  57.819
  143   2H5*    A  14          2H5*        A  14   1.296  -5.926  56.901
  144    H4*    A  14           H4*        A  14   3.475  -7.853  56.334
  145    H3*    A  14           H3*        A  14   2.849  -5.407  55.106
  146    H2*    A  14           H2*        A  14   1.053  -6.167  53.720
  147   2HO*    A  14          2HO*        A  14   3.191  -7.409  52.404
  148    H1*    A  14           H1*        A  14   2.311  -8.943  53.580
  149    H8     A  14           H8         A  14  -1.136  -8.078  55.070
  150   1H6     A  14          1H6         A  14  -3.383 -11.071  50.165
  151   2H6     A  14          2H6         A  14  -3.770 -10.293  51.661
  152    H2     A  14           H2         A  14   1.070 -10.759  49.701
  153   1H5*    G  15          1H5*        G  15   5.795  -4.792  50.940
  154   2H5*    G  15          2H5*        G  15   4.188  -5.507  51.065
  155    H4*    G  15           H4*        G  15   6.642  -6.961  50.210
  156    H3*    G  15           H3*        G  15   4.758  -5.407  48.408
  157    H2*    G  15           H2*        G  15   4.868  -7.293  46.820
  158   2HO*    G  15          2HO*        G  15   6.948  -7.782  46.890
  159    H1*    G  15           H1*        G  15   4.525  -9.323  48.583
  160    H8     G  15           H8         G  15   2.128  -7.422  50.431
  161    H1     G  15           H1         G  15   0.094  -8.375  44.426
  162   1H2     G  15          1H2         G  15   1.807  -9.021  43.106
  163   2H2     G  15          2H2         G  15   3.377  -9.189  43.775
  164   1H5*    C  16          1H5*        C  16   7.926  -5.386  45.768
  165   2H5*    C  16          2H5*        C  16   8.165  -3.741  45.178
  166    H4*    C  16           H4*        C  16   7.664  -5.272  43.432
  167    H3*    C  16           H3*        C  16   5.610  -3.047  43.853
  168    H2*    C  16           H2*        C  16   4.395  -3.989  41.925
  169   2HO*    C  16          2HO*        C  16   5.233  -5.368  40.552
  170    H1*    C  16           H1*        C  16   4.673  -6.637  42.594
  171   1H4     C  16          1H4         C  16  -1.028  -5.152  44.899
  172   2H4     C  16          2H4         C  16  -0.319  -4.685  46.407
  173    H5     C  16           H5         C  16   2.075  -4.599  46.779
  174    H6     C  16           H6         C  16   4.264  -4.957  45.728
  175   1H5*    G  17          1H5*        G  17   6.190  -3.074  39.670
  176   2H5*    G  17          2H5*        G  17   6.460  -1.371  39.299
  177    H4*    G  17           H4*        G  17   4.818  -2.222  37.887
  178    H3*    G  17           H3*        G  17   3.696  -0.236  39.922
  179    H2*    G  17           H2*        G  17   1.507  -0.564  38.818
  180   2HO*    G  17          2HO*        G  17   1.258  -1.480  36.929
  181    H1*    G  17           H1*        G  17   1.640  -3.287  38.583
  182    H8     G  17           H8         G  17   3.114  -2.247  41.978
  183    H1     G  17           H1         G  17  -3.240  -3.089  41.841
  184   1H2     G  17          1H2         G  17  -3.952  -3.378  39.720
  185   2H2     G  17          2H2         G  17  -2.819  -3.352  38.433
  186   1H5*    C  18          1H5*        C  18   2.231   0.856  36.058
  187   2H5*    C  18          2H5*        C  18   2.182   2.619  36.046
  188    H4*    C  18           H4*        C  18   0.110   1.603  35.423
  189    H3*    C  18           H3*        C  18   0.050   3.368  37.919
  190    H2*    C  18           H2*        C  18  -2.368   2.909  38.025
  191   2HO*    C  18          2HO*        C  18  -3.502   2.139  36.423
  192    H1*    C  18           H1*        C  18  -2.245   0.228  37.422
  193   1H4     C  18          1H4         C  18  -2.467   0.050  43.720
  194   2H4     C  18          2H4         C  18  -0.803   0.512  43.846
  195    H5     C  18           H5         C  18   0.567   1.083  41.929
  196    H6     C  18           H6         C  18   0.569   1.314  39.487
  197   1H5*    G  19          1H5*        G  19  -3.207   4.745  35.615
  198   2H5*    G  19          2H5*        G  19  -3.282   6.483  35.908
  199    H4*    G  19           H4*        G  19  -5.309   5.302  36.432
  200    H3*    G  19           H3*        G  19  -3.969   6.835  38.714
  201    H2*    G  19           H2*        G  19  -5.852   6.124  40.127
  202   2HO*    G  19          2HO*        G  19  -7.688   5.396  39.384
  203    H1*    G  19           H1*        G  19  -6.039   3.536  39.196
  204    H8     G  19           H8         G  19  -2.329   4.292  39.648
  205    H1     G  19           H1         G  19  -5.419   2.565  44.994
  206   1H2     G  19          1H2         G  19  -7.647   2.519  44.638
  207   2H2     G  19          2H2         G  19  -8.267   2.919  43.090
  208   1H5*    C  20          1H5*        C  20  -7.945   8.045  38.972
  209   2H5*    C  20          2H5*        C  20  -7.889   9.788  39.232
  210    H4*    C  20           H4*        C  20  -9.188   8.695  40.871
  211    H3*    C  20           H3*        C  20  -6.657  10.037  41.944
  212    H2*    C  20           H2*        C  20  -7.361   9.314  44.176
  213   2HO*    C  20          2HO*        C  20  -9.331   8.720  44.671
  214    H1*    C  20           H1*        C  20  -8.314   6.811  43.463
  215   1H4     C  20          1H4         C  20  -2.636   5.291  45.724
  216   2H4     C  20          2H4         C  20  -1.829   6.028  44.380
  217    H5     C  20           H5         C  20  -2.997   7.217  42.620
  218    H6     C  20           H6         C  20  -5.211   7.923  41.827
  219   1H5*    A  21          1H5*        A  21  -7.196  13.961  44.508
  220   2H5*    A  21          2H5*        A  21  -6.046  12.641  44.725
  221    H4*    A  21           H4*        A  21  -8.432  13.354  46.366
  222    H3*    A  21           H3*        A  21  -5.485  13.549  46.968
  223    H2*    A  21           H2*        A  21  -5.920  12.661  49.200
  224   2HO*    A  21          2HO*        A  21  -7.836  12.562  50.101
  225    H1*    A  21           H1*        A  21  -7.574  10.602  48.607
  226    H8     A  21           H8         A  21  -5.487  10.265  45.597
  227   1H6     A  21          1H6         A  21  -1.177   7.648  49.152
  228   2H6     A  21          2H6         A  21  -1.694   7.953  47.529
  229    H2     A  21           H2         A  21  -4.238   9.550  51.826
  230   1H5*    C  22          1H5*        C  22  -7.223  15.024  50.334
  231   2H5*    C  22          2H5*        C  22  -6.593  16.657  50.546
  232    H4*    C  22           H4*        C  22  -6.532  15.289  52.546
  233    H3*    C  22           H3*        C  22  -3.935  16.499  51.535
  234    H2*    C  22           H2*        C  22  -2.797  15.378  53.421
  235   2HO*    C  22          2HO*        C  22  -3.797  14.544  55.080
  236    H1*    C  22           H1*        C  22  -3.950  12.936  53.167
  237   1H4     C  22          1H4         C  22   1.237  12.694  49.500
  238   2H4     C  22          2H4         C  22   0.205  12.724  48.111
  239    H5     C  22           H5         C  22  -2.187  13.097  48.242
  240    H6     C  22           H6         C  22  -4.051  13.522  49.782
  241   1H5*    G  23          1H5*        G  23  -3.914  17.209  55.539
  242   2H5*    G  23          2H5*        G  23  -3.585  18.920  55.810
  243    H4*    G  23           H4*        G  23  -2.229  17.371  57.099
  244    H3*    G  23           H3*        G  23  -0.802  19.414  55.325
  245    H2*    G  23           H2*        G  23   1.312  18.489  56.184
  246   2HO*    G  23          2HO*        G  23   1.474  17.321  57.921
  247    H1*    G  23           H1*        G  23   0.600  15.832  56.087
  248    H8     G  23           H8         G  23  -0.781  16.764  52.808
  249    H1     G  23           H1         G  23   5.627  16.939  52.895
  250   1H2     G  23          1H2         G  23   6.390  16.885  55.018
  251   2H2     G  23          2H2         G  23   5.273  16.806  56.319
  252   1H5*    G  24          1H5*        G  24   1.021  20.565  58.897
  253   2H5*    G  24          2H5*        G  24   1.205  22.313  58.765
  254    H4*    G  24           H4*        G  24   3.263  21.012  58.964
  255    H3*    G  24           H3*        G  24   2.952  22.944  56.614
  256    H2*    G  24           H2*        G  24   5.225  22.287  55.938
  257   2HO*    G  24          2HO*        G  24   6.617  21.369  57.205
  258    H1*    G  24           H1*        G  24   4.981  19.589  56.446
  259    H8     G  24           H8         G  24   1.719  20.230  54.764
  260    H1     G  24           H1         G  24   6.707  20.293  50.736
  261   1H2     G  24          1H2         G  24   8.648  20.384  51.884
  262   2H2     G  24          2H2         G  24   8.618  20.423  53.599
  263   1H5*    C  25          1H5*        C  25   6.776  24.168  58.225
  264   2H5*    C  25          2H5*        C  25   6.634  25.926  58.176
  265    H4*    C  25           H4*        C  25   8.599  25.113  57.095
  266    H3*    C  25           H3*        C  25   6.626  26.632  55.321
  267    H2*    C  25           H2*        C  25   8.250  26.316  53.486
  268   2HO*    C  25          2HO*        C  25  10.261  25.752  53.767
  269    H1*    C  25           H1*        C  25   8.862  23.695  54.008
  270   1H4     C  25          1H4         C  25   4.349  23.198  49.613
  271   2H4     C  25          2H4         C  25   3.117  23.265  50.827
  272    H5     C  25           H5         C  25   3.582  23.672  53.171
  273    H6     C  25           H6         C  25   5.370  24.097  54.798
  274   1H5*    A  26          1H5*        A  26  10.588  28.291  54.589
  275   2H5*    A  26          2H5*        A  26  10.267  30.014  54.391
  276    H4*    A  26           H4*        A  26  11.547  29.032  52.605
  277    H3*    A  26           H3*        A  26   8.889  30.346  51.858
  278    H2*    A  26           H2*        A  26   9.440  29.782  49.510
  279   2HO*    A  26          2HO*        A  26  11.359  29.185  48.855
  280    H1*    A  26           H1*        A  26  10.302  27.228  49.961
  281    H8     A  26           H8         A  26   7.319  27.798  52.262
  282   1H6     A  26          1H6         A  26   3.843  26.004  47.491
  283   2H6     A  26          2H6         A  26   3.857  26.401  49.175
  284    H2     A  26           H2         A  26   8.064  26.490  46.049
  285   1H5*    A  27          1H5*        A  27  11.953  32.308  49.156
  286   2H5*    A  27          2H5*        A  27  11.038  33.717  48.617
  287    H4*    A  27           H4*        A  27  11.849  31.868  47.009
  288    H3*    A  27           H3*        A  27   9.215  33.400  46.755
  289    H2*    A  27           H2*        A  27   8.761  32.003  44.765
  290   2HO*    A  27          2HO*        A  27  10.213  30.956  43.715
  291    H1*    A  27           H1*        A  27   9.563  29.611  45.830
  292    H8     A  27           H8         A  27   7.819  31.016  48.793
  293   1H6     A  27          1H6         A  27   2.495  29.451  46.098
  294   2H6     A  27          2H6         A  27   3.250  29.982  47.562
  295    H2     A  27           H2         A  27   5.772  29.078  43.055
  296   1H5*    G  28          1H5*        G  28  10.895  34.041  42.701
  297   2H5*    G  28          2H5*        G  28   9.949  35.432  42.171
  298    H4*    G  28           H4*        G  28   9.756  33.102  41.051
  299    H3*    G  28           H3*        G  28   7.529  35.127  41.408
  300    H2*    G  28           H2*        G  28   5.964  33.439  40.531
  301   2HO*    G  28          2HO*        G  28   7.146  32.628  38.920
  302    H1*    G  28           H1*        G  28   6.801  31.305  41.974
  303    H8     G  28           H8         G  28   7.320  33.451  44.821
  304    H1     G  28           H1         G  28   1.131  33.276  43.156
  305   1H2     G  28          1H2         G  28   0.897  32.433  41.076
  306   2H2     G  28          2H2         G  28   2.287  31.950  40.196
  307   1H5*    A  29          1H5*        A  29   7.042  38.635  38.893
  308   2H5*    A  29          2H5*        A  29   6.463  37.396  40.008
  309    H4*    A  29           H4*        A  29   5.747  37.529  37.113
  310    H3*    A  29           H3*        A  29   4.379  39.042  39.331
  311    H2*    A  29           H2*        A  29   2.227  38.241  38.502
  312   2HO*    A  29          2HO*        A  29   1.965  37.255  36.588
  313    H1*    A  29           H1*        A  29   2.787  35.624  38.094
  314    H8     A  29           H8         A  29   4.843  35.559  41.013
  315   1H6     A  29          1H6         A  29  -0.171  36.237  44.540
  316   2H6     A  29          2H6         A  29   1.505  35.808  44.512
  317    H2     A  29           H2         A  29  -1.275  37.274  40.316
  318   1H5*    G  30          1H5*        G  30   2.623  40.903  37.051
  319   2H5*    G  30          2H5*        G  30   2.997  42.583  36.666
  320    H4*    G  30           H4*        G  30   1.564  43.421  38.152
  321    H3*    G  30           H3*        G  30   2.533  41.845  40.150
  322    H2*    G  30           H2*        G  30   1.289  39.804  39.618
  323   2HO*    G  30          2HO*        G  30   0.694  40.461  41.667
  324    H1*    G  30           H1*        G  30  -1.166  41.510  39.053
  325    H8     G  30           H8         G  30   0.562  39.214  36.476
  326    H1     G  30           H1         G  30  -4.971  37.090  38.919
  327   1H2     G  30          1H2         G  30  -5.666  38.438  40.591
  328   2H2     G  30          2H2         G  30  -4.725  39.805  41.024
  329   1H5*    G  31          1H5*        G  31  -0.536  45.836  43.084
  330   2H5*    G  31          2H5*        G  31   0.833  44.864  43.623
  331    H4*    G  31           H4*        G  31  -1.033  43.666  41.711
  332    H3*    G  31           H3*        G  31  -2.113  44.608  44.266
  333    H2*    G  31           H2*        G  31  -1.924  42.587  45.393
  334   2HO*    G  31          2HO*        G  31  -3.206  40.933  44.710
  335    H1*    G  31           H1*        G  31  -1.326  40.997  42.874
  336    H8     G  31           H8         G  31  -1.088  38.728  44.067
  337    H1     G  31           H1         G  31   3.140  41.263  48.167
  338   1H2     G  31          1H2         G  31   3.274  43.497  47.881
  339   2H2     G  31          2H2         G  31   2.308  44.259  46.687
  340   1H5*    C  32          1H5*        C  32  -6.667  45.808  41.534
  341   2H5*    C  32          2H5*        C  32  -5.994  44.949  42.919
  342    H4*    C  32           H4*        C  32  -7.126  43.824  40.402
  343    H3*    C  32           H3*        C  32  -8.283  43.895  43.206
  344    H2*    C  32           H2*        C  32  -9.116  41.605  42.826
  345   2HO*    C  32          2HO*        C  32  -9.240  40.686  40.934
  346    H1*    C  32           H1*        C  32  -6.872  40.530  41.753
  347   1H4     C  32          1H4         C  32  -6.018  39.443  47.912
  348   2H4     C  32          2H4         C  32  -5.194  40.955  48.089
  349    H5     C  32           H5         C  32  -5.004  42.580  46.300
  350    H6     C  32           H6         C  32  -5.591  43.041  43.963
  351   1H5*    G  33          1H5*        G  33 -11.976  43.193  41.874
  352   2H5*    G  33          2H5*        G  33 -12.918  44.594  42.385
  353    H4*    G  33           H4*        G  33 -13.868  42.690  43.329
  354    H3*    G  33           H3*        G  33 -12.506  44.473  45.369
  355    H2*    G  33           H2*        G  33 -13.091  42.808  47.089
  356   2HO*    G  33          2HO*        G  33 -14.499  41.262  46.817
  357    H1*    G  33           H1*        G  33 -12.340  40.566  45.764
  358    H8     G  33           H8         G  33  -9.681  42.892  44.533
  359    H1     G  33           H1         G  33  -8.822  40.933  50.577
  360   1H2     G  33          1H2         G  33 -10.689  39.932  51.355
  361   2H2     G  33          2H2         G  33 -12.063  39.795  50.339
  362   1H5*    U  34          1H5*        U  34 -16.036  43.419  47.306
  363   2H5*    U  34          2H5*        U  34 -16.659  44.929  47.971
  364    H4*    U  34           H4*        U  34 -16.457  43.213  49.608
  365    H3*    U  34           H3*        U  34 -14.730  45.693  50.069
  366    H2*    U  34           H2*        U  34 -13.992  44.609  52.167
  367   2HO*    U  34          2HO*        U  34 -14.943  42.902  53.019
  368    H1*    U  34           H1*        U  34 -13.601  42.103  51.143
  369    H3     U  34           H3         U  34  -9.373  43.371  51.736
  370    H5     U  34           H5         U  34 -10.557  45.451  48.293
  371    H6     U  34           H6         U  34 -12.792  44.638  48.652
  372   1H5*    C  35          1H5*        C  35 -16.247  44.934  53.898
  373   2H5*    C  35          2H5*        C  35 -17.001  46.477  54.297
  374    H4*    C  35           H4*        C  35 -15.676  45.879  56.068
  375    H3*    C  35           H3*        C  35 -14.368  48.145  54.481
  376    H2*    C  35           H2*        C  35 -12.563  48.103  56.132
  377   2HO*    C  35          2HO*        C  35 -12.712  47.170  58.046
  378    H1*    C  35           H1*        C  35 -12.427  45.351  56.453
  379   1H4     C  35          1H4         C  35  -7.582  46.501  52.576
  380   2H4     C  35          2H4         C  35  -8.640  46.586  51.209
  381    H5     C  35           H5         C  35 -11.054  46.453  51.387
  382    H6     C  35           H6         C  35 -12.920  46.211  52.961
  383    H3T    C  35           H3T        C  35 -14.975  48.795  56.849
  384   1H5*    G  36          1H5*        G  36   1.990  44.683  58.081
  385   2H5*    G  36          2H5*        G  36   1.223  45.569  56.741
  386    H4*    G  36           H4*        G  36   0.091  45.031  59.446
  387    H3*    G  36           H3*        G  36  -0.487  43.582  56.816
  388    H2*    G  36           H2*        G  36  -2.824  43.408  57.578
  389   2HO*    G  36          2HO*        G  36  -3.448  43.716  59.579
  390    H1*    G  36           H1*        G  36  -3.049  45.950  58.608
  391    H8     G  36           H8         G  36  -1.148  45.975  55.254
  392    H1     G  36           H1         G  36  -7.530  46.450  54.864
  393   1H2     G  36          1H2         G  36  -8.471  46.120  56.889
  394   2H2     G  36          2H2         G  36  -7.473  45.800  58.246
  395    H5T    G  36           H5T        G  36   2.599  46.903  58.019
  396   1H5*    A  37          1H5*        A  37  -2.454  41.363  59.834
  397   2H5*    A  37          2H5*        A  37  -2.208  39.675  59.388
  398    H4*    A  37           H4*        A  37  -4.502  40.286  59.742
  399    H3*    A  37           H3*        A  37  -3.749  39.194  56.994
  400    H2*    A  37           H2*        A  37  -6.010  39.502  56.273
  401   2HO*    A  37          2HO*        A  37  -7.701  39.542  57.576
  402    H1*    A  37           H1*        A  37  -6.653  41.734  57.901
  403    H8     A  37           H8         A  37  -3.618  42.551  55.799
  404   1H6     A  37          1H6         A  37  -7.585  44.225  51.382
  405   2H6     A  37          2H6         A  37  -5.930  44.222  51.885
  406    H2     A  37           H2         A  37  -9.893  42.171  54.637
  407   1H5*    C  38          1H5*        C  38  -7.460  37.191  58.237
  408   2H5*    C  38          2H5*        C  38  -7.085  35.513  57.848
  409    H4*    C  38           H4*        C  38  -9.173  36.088  56.980
  410    H3*    C  38           H3*        C  38  -7.068  35.622  54.808
  411    H2*    C  38           H2*        C  38  -8.854  36.041  53.169
  412   2HO*    C  38          2HO*        C  38 -10.905  35.949  53.600
  413    H1*    C  38           H1*        C  38 -10.047  38.155  54.473
  414   1H4     C  38          1H4         C  38  -6.387  41.531  50.637
  415   2H4     C  38          2H4         C  38  -4.964  40.646  51.075
  416    H5     C  38           H5         C  38  -4.975  38.821  52.671
  417    H6     C  38           H6         C  38  -6.400  37.496  54.167
  418   1H5*    G  39          1H5*        G  39 -10.471  33.360  53.584
  419   2H5*    G  39          2H5*        G  39  -9.785  31.830  53.036
  420    H4*    G  39           H4*        G  39 -11.268  32.870  51.452
  421    H3*    G  39           H3*        G  39  -8.394  32.367  50.542
  422    H2*    G  39           H2*        G  39  -9.083  33.289  48.349
  423   2HO*    G  39          2HO*        G  39 -10.979  32.449  48.010
  424    H1*    G  39           H1*        G  39 -10.487  35.431  49.302
  425    H8     G  39           H8         G  39  -7.566  35.362  51.665
  426    H1     G  39           H1         G  39  -6.183  37.734  45.872
  427   1H2     G  39          1H2         G  39  -7.864  37.314  44.425
  428   2H2     G  39          2H2         G  39  -9.253  36.466  44.963
  429   1H5*    G  40          1H5*        G  40  -7.918  29.432  46.812
  430   2H5*    G  40          2H5*        G  40  -6.928  30.716  47.506
  431    H4*    G  40           H4*        G  40  -8.968  31.023  45.357
  432    H3*    G  40           H3*        G  40  -5.971  30.612  45.027
  433    H2*    G  40           H2*        G  40  -6.052  32.295  43.217
  434   2HO*    G  40          2HO*        G  40  -7.843  32.988  42.321
  435    H1*    G  40           H1*        G  40  -7.579  34.143  44.492
  436    H8     G  40           H8         G  40  -5.694  33.177  47.497
  437    H1     G  40           H1         G  40  -2.068  36.295  43.226
  438   1H2     G  40          1H2         G  40  -3.109  36.387  41.225
  439   2H2     G  40          2H2         G  40  -4.657  35.673  41.041
  440   1H5*    C  41          1H5*        C  41  -6.810  30.550  41.214
  441   2H5*    C  41          2H5*        C  41  -6.237  29.008  40.578
  442    H4*    C  41           H4*        C  41  -5.356  30.745  39.303
  443    H3*    C  41           H3*        C  41  -3.238  29.327  40.983
  444    H2*    C  41           H2*        C  41  -1.590  30.857  39.948
  445   2HO*    C  41          2HO*        C  41  -2.029  32.109  38.264
  446    H1*    C  41           H1*        C  41  -3.042  33.154  40.190
  447   1H4     C  41          1H4         C  41   0.414  33.213  45.475
  448   2H4     C  41          2H4         C  41  -0.769  32.254  46.298
  449    H5     C  41           H5         C  41  -2.718  31.319  45.201
  450    H6     C  41           H6         C  41  -3.897  31.140  43.056
  451   1H5*    U  42          1H5*        U  42  -1.868  27.774  37.371
  452   2H5*    U  42          2H5*        U  42  -1.701  26.024  37.518
  453    H4*    U  42           H4*        U  42   0.365  27.112  37.090
  454    H3*    U  42           H3*        U  42   0.186  25.651  39.772
  455    H2*    U  42           H2*        U  42   2.503  26.316  40.167
  456   2HO*    U  42          2HO*        U  42   3.838  26.974  38.643
  457    H1*    U  42           H1*        U  42   2.350  28.861  39.062
  458    H3     U  42           H3         U  42   3.173  29.896  43.316
  459    H5     U  42           H5         U  42  -0.815  28.603  43.369
  460    H6     U  42           H6         U  42  -0.574  27.980  41.059
  461   1H5*    U  43          1H5*        U  43   3.703  24.356  37.673
  462   2H5*    U  43          2H5*        U  43   3.978  22.666  38.096
  463    H4*    U  43           H4*        U  43   5.861  24.176  38.418
  464    H3*    U  43           H3*        U  43   4.901  22.501  40.792
  465    H2*    U  43           H2*        U  43   6.711  23.506  42.091
  466   2HO*    U  43          2HO*        U  43   8.385  24.524  41.226
  467    H1*    U  43           H1*        U  43   6.539  26.071  41.039
  468    H3     U  43           H3         U  43   5.473  26.580  45.376
  469    H5     U  43           H5         U  43   1.936  25.238  43.567
  470    H6     U  43           H6         U  43   3.193  24.855  41.552
  471   1H5*    G  44          1H5*        G  44   9.218  22.139  40.105
  472   2H5*    G  44          2H5*        G  44   9.616  20.460  40.469
  473    H4*    G  44           H4*        G  44  11.091  22.081  41.494
  474    H3*    G  44           H3*        G  44   9.624  20.125  43.302
  475    H2*    G  44           H2*        G  44  10.737  21.227  45.215
  476   2HO*    G  44          2HO*        G  44  12.368  22.574  45.025
  477    H1*    G  44           H1*        G  44  10.302  23.802  44.473
  478    H8     G  44           H8         G  44   7.172  21.934  43.364
  479    H1     G  44           H1         G  44   7.291  23.627  49.548
  480   1H2     G  44          1H2         G  44   9.342  24.374  50.122
  481   2H2     G  44          2H2         G  44  10.587  24.421  48.944
  482   1H5*    C  45          1H5*        C  45  13.408  20.065  44.916
  483   2H5*    C  45          2H5*        C  45  13.828  18.357  45.042
  484    H4*    C  45           H4*        C  45  14.158  19.395  47.102
  485    H3*    C  45           H3*        C  45  11.811  17.441  47.126
  486    H2*    C  45           H2*        C  45  11.560  17.993  49.527
  487   2HO*    C  45          2HO*        C  45  13.024  18.997  50.669
  488    H1*    C  45           H1*        C  45  11.838  20.700  49.292
  489   1H4     C  45          1H4         C  45   5.573  20.030  48.956
  490   2H4     C  45          2H4         C  45   5.660  19.683  47.262
  491    H5     C  45           H5         C  45   7.753  19.446  46.062
  492    H6     C  45           H6         C  45  10.195  19.504  46.293
  493   1H5*    U  46          1H5*        U  46  13.841  16.322  50.483
  494   2H5*    U  46          2H5*        U  46  13.827  14.559  50.536
  495    H4*    U  46           H4*        U  46  12.907  15.508  52.498
  496    H3*    U  46           H3*        U  46  10.938  13.885  50.813
  497    H2*    U  46           H2*        U  46   9.266  14.356  52.571
  498   2HO*    U  46          2HO*        U  46   9.742  15.079  54.497
  499    H1*    U  46           H1*        U  46   9.866  17.005  52.923
  500    H3     U  46           H3         U  46   5.912  17.268  50.866
  501    H5     U  46           H5         U  46   8.607  16.432  47.766
  502    H6     U  46           H6         U  46  10.320  16.129  49.428
  503   1H5*    G  47          1H5*        G  47  10.574  12.755  54.770
  504   2H5*    G  47          2H5*        G  47  10.504  10.994  54.848
  505    H4*    G  47           H4*        G  47   8.783  12.143  56.091
  506    H3*    G  47           H3*        G  47   7.961  10.145  53.958
  507    H2*    G  47           H2*        G  47   5.691  10.718  54.195
  508   2HO*    G  47          2HO*        G  47   4.784  11.304  56.033
  509    H1*    G  47           H1*        G  47   6.045  13.347  55.329
  510    H8     G  47           H8         G  47   7.332  13.514  51.837
  511    H1     G  47           H1         G  47   0.931  13.606  52.197
  512   1H2     G  47          1H2         G  47   0.249  13.020  54.266
  513   2H2     G  47          2H2         G  47   1.412  12.634  55.465
  514   1H5*    A  48          1H5*        A  48   6.769   8.832  57.652
  515   2H5*    A  48          2H5*        A  48   6.629   7.124  58.074
  516    H4*    A  48           H4*        A  48   4.537   8.338  58.062
  517    H3*    A  48           H3*        A  48   4.877   5.857  56.427
  518    H2*    A  48           H2*        A  48   3.140   6.316  54.978
  519   2HO*    A  48          2HO*        A  48   1.176   7.081  55.732
  520    H1*    A  48           H1*        A  48   2.529   9.032  56.016
  521    H8     A  48           H8         A  48   5.162   8.341  53.285
  522   1H6     A  48          1H6         A  48   0.852  10.372  49.366
  523   2H6     A  48          2H6         A  48   2.495   9.856  49.537
  524    H2     A  48           H2         A  48  -0.979  10.108  53.455
  525   1H5*    A  49          1H5*        A  49   2.790   2.355  58.044
  526   2H5*    A  49          2H5*        A  49   3.228   2.078  56.358
  527    H4*    A  49           H4*        A  49   1.273   3.968  57.549
  528    H3*    A  49           H3*        A  49   0.833   1.570  56.158
  529    H2*    A  49           H2*        A  49   1.171   2.393  53.936
  530   2HO*    A  49          2HO*        A  49  -1.262   3.652  54.513
  531    H1*    A  49           H1*        A  49   0.206   5.157  54.794
  532    H8     A  49           H8         A  49   3.709   4.287  53.441
  533   1H6     A  49          1H6         A  49   1.952   7.454  48.447
  534   2H6     A  49          2H6         A  49   3.261   6.636  49.229
  535    H2     A  49           H2         A  49  -1.574   7.105  51.202
  536   1H5*    G  50          1H5*        G  50  -4.189   1.065  55.182
  537   2H5*    G  50          2H5*        G  50  -2.925   1.792  54.189
  538    H4*    G  50           H4*        G  50  -5.257   3.261  55.316
  539    H3*    G  50           H3*        G  50  -5.191   1.780  52.667
  540    H2*    G  50           H2*        G  50  -6.340   3.721  51.663
  541   2HO*    G  50          2HO*        G  50  -7.770   4.189  53.184
  542    H1*    G  50           H1*        G  50  -4.822   5.686  52.748
  543    H8     G  50           H8         G  50  -1.854   3.738  52.337
  544    H1     G  50           H1         G  50  -4.574   4.914  46.651
  545   1H2     G  50          1H2         G  50  -6.709   5.594  46.922
  546   2H2     G  50          2H2         G  50  -7.362   5.727  48.504
  547   1H5*    C  51          1H5*        C  51  -9.322   1.796  53.001
  548   2H5*    C  51          2H5*        C  51  -9.914   0.167  52.679
  549    H4*    C  51           H4*        C  51 -10.755   1.788  51.146
  550    H3*    C  51           H3*        C  51  -9.051  -0.440  49.929
  551    H2*    C  51           H2*        C  51  -9.510   0.586  47.737
  552   2HO*    C  51          2HO*        C  51 -11.042   2.010  47.388
  553    H1*    C  51           H1*        C  51  -9.195   3.209  48.502
  554   1H4     C  51          1H4         C  51  -3.556   1.717  46.053
  555   2H4     C  51          2H4         C  51  -3.002   1.180  47.603
  556    H5     C  51           H5         C  51  -4.438   1.042  49.552
  557    H6     C  51           H6         C  51  -6.724   1.409  50.367
  558   1H5*    G  52          1H5*        G  52 -12.394  -0.251  47.355
  559   2H5*    G  52          2H5*        G  52 -12.887  -1.939  47.228
  560    H4*    G  52           H4*        G  52 -12.683  -1.033  45.098
  561    H3*    G  52           H3*        G  52 -10.496  -3.080  45.704
  562    H2*    G  52           H2*        G  52  -9.699  -2.702  43.395
  563   2HO*    G  52          2HO*        G  52 -10.828  -1.717  41.897
  564    H1*    G  52           H1*        G  52  -9.921   0.028  43.394
  565    H8     G  52           H8         G  52  -8.589  -1.145  46.805
  566    H1     G  52           H1         G  52  -4.167  -0.195  42.260
  567   1H2     G  52          1H2         G  52  -5.154   0.179  40.264
  568   2H2     G  52          2H2         G  52  -6.865   0.177  40.151
  569   1H5*    C  53          1H5*        C  53 -12.186  -4.031  41.876
  570   2H5*    C  53          2H5*        C  53 -12.163  -5.791  41.780
  571    H4*    C  53           H4*        C  53 -11.113  -4.701  39.920
  572    H3*    C  53           H3*        C  53  -9.356  -6.572  41.583
  573    H2*    C  53           H2*        C  53  -7.545  -6.075  39.992
  574   2HO*    C  53          2HO*        C  53  -7.840  -5.231  38.084
  575    H1*    C  53           H1*        C  53  -8.021  -3.374  39.746
  576   1H4     C  53          1H4         C  53  -3.421  -3.424  44.056
  577   2H4     C  53          2H4         C  53  -4.517  -3.916  45.302
  578    H5     C  53           H5         C  53  -6.848  -4.440  44.888
  579    H6     C  53           H6         C  53  -8.575  -4.582  43.151
  580   1H5*    G  54          1H5*        G  54  -8.669  -7.814  37.593
  581   2H5*    G  54          2H5*        G  54  -8.434  -9.559  37.694
  582    H4*    G  54           H4*        G  54  -6.606  -8.358  36.687
  583    H3*    G  54           H3*        G  54  -5.984 -10.009  39.185
  584    H2*    G  54           H2*        G  54  -3.643  -9.324  38.904
  585   2HO*    G  54          2HO*        G  54  -2.837  -8.546  37.118
  586    H1*    G  54           H1*        G  54  -4.120  -6.698  38.195
  587    H8     G  54           H8         G  54  -6.435  -7.514  41.113
  588    H1     G  54           H1         G  54  -0.441  -5.943  42.760
  589   1H2     G  54          1H2         G  54   0.883  -5.860  40.935
  590   2H2     G  54          2H2         G  54   0.219  -6.196  39.389
  591   1H5*    C  55          1H5*        C  55  -2.972 -11.172  36.515
  592   2H5*    C  55          2H5*        C  55  -2.880 -12.925  36.679
  593    H4*    C  55           H4*        C  55  -0.773 -11.907  36.972
  594    H3*    C  55           H3*        C  55  -1.866 -13.293  39.471
  595    H2*    C  55           H2*        C  55   0.226 -12.668  40.586
  596   2HO*    C  55          2HO*        C  55   1.992 -12.101  39.577
  597    H1*    C  55           H1*        C  55   0.471 -10.134  39.500
  598   1H4     C  55          1H4         C  55  -1.982  -8.745  45.131
  599   2H4     C  55          2H4         C  55  -3.516  -9.422  44.704
  600    H5     C  55           H5         C  55  -3.939 -10.525  42.586
  601    H6     C  55           H6         C  55  -2.924 -11.184  40.452
  602   1H5*    A  56          1H5*        A  56   0.292 -17.336  40.761
  603   2H5*    A  56          2H5*        A  56  -0.365 -16.058  41.781
  604    H4*    A  56           H4*        A  56   2.478 -16.766  41.232
  605    H3*    A  56           H3*        A  56   0.814 -17.021  43.733
  606    H2*    A  56           H2*        A  56   2.706 -16.186  45.032
  607   2HO*    A  56          2HO*        A  56   4.700 -16.079  44.317
  608    H1*    A  56           H1*        A  56   3.476 -14.087  43.506
  609    H8     A  56           H8         A  56  -0.124 -13.699  42.857
  610   1H6     A  56          1H6         A  56  -0.648 -11.248  48.495
  611   2H6     A  56          2H6         A  56  -1.428 -11.500  46.971
  612    H2     A  56           H2         A  56   3.391 -13.178  48.173
  613   1H5*    C  57          1H5*        C  57   4.393 -18.559  44.875
  614   2H5*    C  57          2H5*        C  57   4.074 -20.207  45.414
  615    H4*    C  57           H4*        C  57   5.434 -18.898  46.934
  616    H3*    C  57           H3*        C  57   2.855 -20.121  47.978
  617    H2*    C  57           H2*        C  57   3.361 -19.071  50.158
  618   2HO*    C  57          2HO*        C  57   5.241 -18.272  50.681
  619    H1*    C  57           H1*        C  57   4.033 -16.606  49.252
  620   1H4     C  57          1H4         C  57  -2.241 -16.340  50.236
  621   2H4     C  57          2H4         C  57  -2.467 -16.315  48.521
  622    H5     C  57           H5         C  57  -0.662 -16.657  46.940
  623    H6     C  57           H6         C  57   1.744 -17.096  46.733
  624   1H5*    G  58          1H5*        G  58   5.617 -20.945  50.858
  625   2H5*    G  58          2H5*        G  58   5.538 -22.668  51.230
  626    H4*    G  58           H4*        G  58   5.470 -21.161  53.140
  627    H3*    G  58           H3*        G  58   3.205 -23.186  52.796
  628    H2*    G  58           H2*        G  58   2.279 -22.313  54.902
  629   2HO*    G  58          2HO*        G  58   3.369 -21.191  56.302
  630    H1*    G  58           H1*        G  58   2.741 -19.643  54.414
  631    H8     G  58           H8         G  58   1.452 -20.491  51.072
  632    H1     G  58           H1         G  58  -3.100 -20.717  55.580
  633   1H2     G  58          1H2         G  58  -2.173 -20.713  57.638
  634   2H2     G  58          2H2         G  58  -0.468 -20.652  57.800
  635   1H5*    G  59          1H5*        G  59   4.375 -24.474  56.595
  636   2H5*    G  59          2H5*        G  59   4.124 -26.220  56.572
  637    H4*    G  59           H4*        G  59   2.797 -24.941  58.182
  638    H3*    G  59           H3*        G  59   1.369 -26.806  56.223
  639    H2*    G  59           H2*        G  59  -0.727 -26.154  57.328
  640   2HO*    G  59          2HO*        G  59  -0.843 -25.283  59.231
  641    H1*    G  59           H1*        G  59  -0.165 -23.468  57.607
  642    H8     G  59           H8         G  59   0.996 -24.019  54.110
  643    H1     G  59           H1         G  59  -5.389 -24.020  54.692
  644   1H2     G  59          1H2         G  59  -5.984 -24.170  56.865
  645   2H2     G  59          2H2         G  59  -4.769 -24.261  58.072
  646   1H5*    C  60          1H5*        C  60  -0.316 -28.093  59.998
  647   2H5*    C  60          2H5*        C  60  -0.250 -29.847  59.822
  648    H4*    C  60           H4*        C  60  -2.418 -29.050  60.410
  649    H3*    C  60           H3*        C  60  -2.213 -30.484  57.718
  650    H2*    C  60           H2*        C  60  -4.651 -30.155  57.514
  651   2HO*    C  60          2HO*        C  60  -5.917 -29.639  59.120
  652    H1*    C  60           H1*        C  60  -4.731 -27.563  58.407
  653   1H4     C  60          1H4         C  60  -4.507 -26.841  52.134
  654   2H4     C  60          2H4         C  60  -2.778 -26.924  52.155
  655    H5     C  60           H5         C  60  -1.496 -27.412  54.153
  656    H6     C  60           H6         C  60  -1.663 -27.919  56.548
  657   1H5*    A  61          1H5*        A  61  -5.585 -32.193  59.890
  658   2H5*    A  61          2H5*        A  61  -5.508 -33.905  59.472
  659    H4*    A  61           H4*        A  61  -7.663 -32.886  59.113
  660    H3*    A  61           H3*        A  61  -6.291 -34.151  56.691
  661    H2*    A  61           H2*        A  61  -8.317 -33.531  55.407
  662   2HO*    A  61          2HO*        A  61 -10.143 -32.946  56.289
  663    H1*    A  61           H1*        A  61  -8.593 -31.000  56.400
  664    H8     A  61           H8         A  61  -4.855 -31.605  55.951
  665   1H6     A  61          1H6         A  61  -5.668 -29.635  50.162
  666   2H6     A  61          2H6         A  61  -4.509 -30.083  51.367
  667    H2     A  61           H2         A  61  -9.705 -30.121  52.061
  668   1H5*    A  62          1H5*        A  62 -10.397 -36.113  56.822
  669   2H5*    A  62          2H5*        A  62 -10.107 -37.474  55.739
  670    H4*    A  62           H4*        A  62 -11.804 -35.590  55.227
  671    H3*    A  62           H3*        A  62 -10.111 -37.070  53.157
  672    H2*    A  62           H2*        A  62 -11.160 -35.604  51.463
  673   2HO*    A  62          2HO*        A  62 -12.924 -34.554  51.758
  674    H1*    A  62           H1*        A  62 -10.971 -33.262  52.866
  675    H8     A  62           H8         A  62  -7.664 -34.712  53.723
  676   1H6     A  62          1H6         A  62  -5.726 -32.993  48.124
  677   2H6     A  62          2H6         A  62  -5.248 -33.572  49.682
  678    H2     A  62           H2         A  62 -10.194 -32.599  48.246
  679   1H5*    G  63          1H5*        G  63 -14.157 -37.616  51.416
  680   2H5*    G  63          2H5*        G  63 -13.869 -38.982  50.337
  681    H4*    G  63           H4*        G  63 -14.498 -36.626  49.464
  682    H3*    G  63           H3*        G  63 -12.671 -38.627  48.106
  683    H2*    G  63           H2*        G  63 -12.155 -36.897  46.430
  684   2HO*    G  63          2HO*        G  63 -14.123 -36.066  46.130
  685    H1*    G  63           H1*        G  63 -11.729 -34.809  48.102
  686    H8     G  63           H8         G  63 -10.127 -37.042  50.440
  687    H1     G  63           H1         G  63  -6.855 -36.707  44.935
  688   1H2     G  63          1H2         G  63  -8.133 -35.802  43.311
  689   2H2     G  63          2H2         G  63  -9.741 -35.320  43.666
  690   1H5*    A  64          1H5*        A  64 -14.039 -42.044  45.878
  691   2H5*    A  64          2H5*        A  64 -12.869 -40.789  46.289
  692    H4*    A  64           H4*        A  64 -14.398 -40.869  43.726
  693    H3*    A  64           H3*        A  64 -11.881 -42.424  44.292
  694    H2*    A  64           H2*        A  64 -10.925 -41.567  42.218
  695   2HO*    A  64          2HO*        A  64 -12.071 -40.524  40.702
  696    H1*    A  64           H1*        A  64 -11.581 -38.948  42.395
  697    H8     A  64           H8         A  64 -11.003 -38.984  45.917
  698   1H6     A  64          1H6         A  64  -4.960 -39.706  44.903
  699   2H6     A  64          2H6         A  64  -6.171 -39.293  46.067
  700    H2     A  64           H2         A  64  -7.144 -40.619  41.089
  701   1H5*    G  65          1H5*        G  65 -12.260 -44.185  41.386
  702   2H5*    G  65          2H5*        G  65 -12.814 -45.857  41.310
  703    H4*    G  65           H4*        G  65 -10.760 -46.719  41.339
  704    H3*    G  65           H3*        G  65 -10.033 -45.213  43.490
  705    H2*    G  65           H2*        G  65  -9.487 -43.146  42.301
  706   2HO*    G  65          2HO*        G  65  -7.636 -43.854  43.319
  707    H1*    G  65           H1*        G  65  -8.163 -44.810  40.122
  708    H8     G  65           H8         G  65 -11.164 -42.451  39.561
  709    H1     G  65           H1         G  65  -5.467 -40.342  37.509
  710   1H2     G  65          1H2         G  65  -3.822 -41.735  38.180
  711   2H2     G  65          2H2         G  65  -4.212 -43.125  39.105
  712   1H5*    G  66          1H5*        G  66  -5.846 -49.262  43.319
  713   2H5*    G  66          2H5*        G  66  -6.435 -48.323  44.690
  714    H4*    G  66           H4*        G  66  -6.419 -47.049  42.053
  715    H3*    G  66           H3*        G  66  -3.877 -48.050  43.104
  716    H2*    G  66           H2*        G  66  -3.205 -46.066  44.108
  717   2HO*    G  66          2HO*        G  66  -2.741 -44.375  42.774
  718    H1*    G  66           H1*        G  66  -5.368 -44.411  42.760
  719    H8     G  66           H8         G  66  -4.685 -42.179  43.846
  720    H1     G  66           H1         G  66  -4.893 -44.876  49.659
  721   1H2     G  66          1H2         G  66  -5.214 -47.103  49.485
  722   2H2     G  66          2H2         G  66  -5.360 -47.820  47.934
  723   1H5*    C  67          1H5*        C  67  -2.506 -49.116  37.954
  724   2H5*    C  67          2H5*        C  67  -2.027 -48.312  39.449
  725    H4*    C  67           H4*        C  67  -2.924 -47.088  36.885
  726    H3*    C  67           H3*        C  67  -0.154 -47.240  38.114
  727    H2*    C  67           H2*        C  67   0.221 -44.931  37.328
  728   2HO*    C  67          2HO*        C  67  -0.985 -43.951  35.906
  729    H1*    C  67           H1*        C  67  -2.127 -43.846  38.135
  730   1H4     C  67          1H4         C  67   1.530 -42.955  43.204
  731   2H4     C  67          2H4         C  67   1.039 -44.480  43.857
  732    H5     C  67           H5         C  67  -0.357 -46.053  42.650
  733    H6     C  67           H6         C  67  -1.554 -46.438  40.543
  734   1H5*    G  68          1H5*        G  68   1.594 -46.438  34.621
  735   2H5*    G  68          2H5*        G  68   2.615 -47.836  34.288
  736    H4*    G  68           H4*        G  68   3.968 -45.945  34.369
  737    H3*    G  68           H3*        G  68   4.393 -47.809  36.724
  738    H2*    G  68           H2*        G  68   6.024 -46.184  37.607
  739   2HO*    G  68          2HO*        G  68   6.860 -44.610  36.480
  740    H1*    G  68           H1*        G  68   4.580 -43.918  37.248
  741    H8     G  68           H8         G  68   1.794 -46.253  38.138
  742    H1     G  68           H1         G  68   5.399 -44.484  43.138
  743   1H2     G  68          1H2         G  68   7.290 -43.476  42.431
  744   2H2     G  68          2H2         G  68   7.572 -43.286  40.749
  745   1H5*    U  69          1H5*        U  69   8.314 -46.800  35.688
  746   2H5*    U  69          2H5*        U  69   9.188 -48.332  35.718
  747    H4*    U  69           H4*        U  69  10.187 -46.641  37.082
  748    H3*    U  69           H3*        U  69   9.244 -49.161  38.532
  749    H2*    U  69           H2*        U  69  10.159 -48.146  40.592
  750   2HO*    U  69          2HO*        U  69  11.456 -46.457  40.608
  751    H1*    U  69           H1*        U  69   9.201 -45.613  40.186
  752    H3     U  69           H3         U  69   6.565 -46.944  43.523
  753    H5     U  69           H5         U  69   4.984 -48.900  40.168
  754    H6     U  69           H6         U  69   6.852 -48.078  38.893
  755   1H5*    C  70          1H5*        C  70  13.012 -48.531  40.285
  756   2H5*    C  70          2H5*        C  70  13.786 -50.092  40.013
  757    H4*    C  70           H4*        C  70  14.033 -49.543  42.234
  758    H3*    C  70           H3*        C  70  11.994 -51.795  41.877
  759    H2*    C  70           H2*        C  70  11.755 -51.834  44.300
  760   2HO*    C  70          2HO*        C  70  13.168 -50.989  45.662
  761    H1*    C  70           H1*        C  70  11.961 -49.090  44.741
  762   1H4     C  70          1H4         C  70   5.757 -50.113  45.299
  763   2H4     C  70          2H4         C  70   5.563 -50.142  43.579
  764    H5     C  70           H5         C  70   7.423 -50.007  42.030
  765    H6     C  70           H6         C  70   9.864 -49.817  41.868
  766    H3T    C  70           H3T        C  70  14.042 -52.489  43.193
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   4.128 -49.261  57.687
    2   2H5*    G   1          2H5*        G   1   4.116 -50.087  56.110
    3    H4*    G   1           H4*        G   1   6.485 -49.495  57.834
    4    H3*    G   1           H3*        G   1   5.476 -47.977  55.403
    5    H2*    G   1           H2*        G   1   7.836 -47.718  54.714
    6   2HO*    G   1          2HO*        G   1   9.492 -48.124  55.978
    7    H1*    G   1           H1*        G   1   8.638 -50.275  55.131
    8    H8     G   1           H8         G   1   5.090 -50.736  53.901
    9    H1     G   1           H1         G   1   9.391 -49.578  49.289
   10   1H2     G   1          1H2         G   1  11.354 -48.920  50.187
   11   2H2     G   1          2H2         G   1  11.509 -48.800  51.891
   12    H5T    G   1           H5T        G   1   3.678 -51.512  57.865
   13   1H5*    A   2          1H5*        A   2   8.816 -45.799  56.721
   14   2H5*    A   2          2H5*        A   2   8.240 -44.133  56.774
   15    H4*    A   2           H4*        A   2  10.274 -44.338  55.580
   16    H3*    A   2           H3*        A   2   7.886 -43.407  53.912
   17    H2*    A   2           H2*        A   2   9.450 -43.230  52.016
   18   2HO*    A   2          2HO*        A   2  11.546 -43.184  52.206
   19    H1*    A   2           H1*        A   2  10.828 -45.564  52.475
   20    H8     A   2           H8         A   2   7.256 -46.553  53.107
   21   1H6     A   2          1H6         A   2   6.680 -47.153  46.994
   22   2H6     A   2          2H6         A   2   5.944 -47.449  48.532
   23    H2     A   2           H2         A   2  10.591 -45.123  47.843
   24   1H5*    C   3          1H5*        C   3  10.822 -40.684  52.853
   25   2H5*    C   3          2H5*        C   3  10.022 -39.112  52.852
   26    H4*    C   3           H4*        C   3  11.147 -39.646  50.803
   27    H3*    C   3           H3*        C   3   8.136 -39.142  50.634
   28    H2*    C   3           H2*        C   3   8.281 -39.524  48.247
   29   2HO*    C   3          2HO*        C   3  10.038 -39.314  47.104
   30    H1*    C   3           H1*        C   3  10.258 -41.509  48.293
   31   1H4     C   3          1H4         C   3   4.867 -44.587  47.011
   32   2H4     C   3          2H4         C   3   4.628 -44.874  48.702
   33    H5     C   3           H5         C   3   6.039 -43.917  50.425
   34    H6     C   3           H6         C   3   7.980 -42.473  50.828
   35   1H5*    G   4          1H5*        G   4   9.993 -36.675  47.571
   36   2H5*    G   4          2H5*        G   4   9.067 -35.175  47.630
   37    H4*    G   4           H4*        G   4   9.287 -36.186  45.431
   38    H3*    G   4           H3*        G   4   6.480 -35.628  46.500
   39    H2*    G   4           H2*        G   4   5.643 -36.498  44.339
   40   2HO*    G   4          2HO*        G   4   6.800 -36.683  42.623
   41    H1*    G   4           H1*        G   4   7.279 -38.681  44.187
   42    H8     G   4           H8         G   4   6.450 -38.638  47.853
   43    H1     G   4           H1         G   4   1.721 -40.848  44.131
   44   1H2     G   4          1H2         G   4   2.156 -40.412  41.960
   45   2H2     G   4          2H2         G   4   3.601 -39.593  41.532
   46   1H5*    G   5          1H5*        G   5   4.188 -32.543  43.287
   47   2H5*    G   5          2H5*        G   5   3.568 -33.830  44.320
   48    H4*    G   5           H4*        G   5   4.347 -34.012  41.452
   49    H3*    G   5           H3*        G   5   1.568 -33.803  42.672
   50    H2*    G   5           H2*        G   5   0.816 -35.421  40.959
   51   2HO*    G   5          2HO*        G   5   1.955 -35.959  39.255
   52    H1*    G   5           H1*        G   5   2.859 -37.195  41.197
   53    H8     G   5           H8         G   5   2.624 -36.385  44.796
   54    H1     G   5           H1         G   5  -2.360 -39.819  42.682
   55   1H2     G   5          1H2         G   5  -2.409 -39.834  40.426
   56   2H2     G   5          2H2         G   5  -1.202 -38.991  39.547
   57   1H5*    C   6          1H5*        C   6   0.474 -33.560  38.952
   58   2H5*    C   6          2H5*        C   6  -0.415 -32.054  38.729
   59    H4*    C   6           H4*        C   6  -1.694 -33.824  37.924
   60    H3*    C   6           H3*        C   6  -2.851 -32.591  40.460
   61    H2*    C   6           H2*        C   6  -4.699 -34.226  40.261
   62   2HO*    C   6          2HO*        C   6  -4.997 -35.466  38.515
   63    H1*    C   6           H1*        C   6  -3.178 -36.418  39.707
   64   1H4     C   6          1H4         C   6  -3.663 -36.702  45.997
   65   2H4     C   6          2H4         C   6  -2.270 -35.689  46.181
   66    H5     C   6           H5         C   6  -1.134 -34.642  44.313
   67    H6     C   6           H6         C   6  -1.146 -34.382  41.873
   68   1H5*    U   7          1H5*        U   7  -5.866 -31.177  38.017
   69   2H5*    U   7          2H5*        U   7  -6.025 -29.431  38.207
   70    H4*    U   7           H4*        U   7  -7.997 -30.591  38.816
   71    H3*    U   7           H3*        U   7  -6.628 -29.075  41.091
   72    H2*    U   7           H2*        U   7  -8.415 -29.822  42.554
   73   2HO*    U   7          2HO*        U   7 -10.315 -30.520  41.876
   74    H1*    U   7           H1*        U   7  -8.783 -32.361  41.441
   75    H3     U   7           H3         U   7  -7.578 -33.429  45.602
   76    H5     U   7           H5         U   7  -4.005 -32.137  43.830
   77    H6     U   7           H6         U   7  -5.278 -31.485  41.895
   78   1H5*    U   8          1H5*        U   8 -10.776 -27.915  40.976
   79   2H5*    U   8          2H5*        U   8 -10.840 -26.223  41.468
   80    H4*    U   8           H4*        U   8 -12.288 -27.731  42.698
   81    H3*    U   8           H3*        U   8 -10.267 -26.061  44.276
   82    H2*    U   8           H2*        U   8 -11.174 -27.075  46.304
   83   2HO*    U   8          2HO*        U   8 -13.056 -28.092  46.400
   84    H1*    U   8           H1*        U   8 -11.566 -29.635  45.293
   85    H3     U   8           H3         U   8  -8.474 -30.256  48.480
   86    H5     U   8           H5         U   8  -6.314 -28.741  45.222
   87    H6     U   8           H6         U   8  -8.408 -28.344  44.106
   88   1H5*    G   9          1H5*        G   9 -14.335 -25.644  45.869
   89   2H5*    G   9          2H5*        G   9 -14.464 -23.972  46.412
   90    H4*    G   9           H4*        G   9 -15.216 -25.608  48.026
   91    H3*    G   9           H3*        G   9 -12.986 -23.705  48.850
   92    H2*    G   9           H2*        G   9 -12.989 -24.840  51.047
   93   2HO*    G   9          2HO*        G   9 -14.517 -26.163  51.699
   94    H1*    G   9           H1*        G   9 -13.067 -27.402  50.140
   95    H8     G   9           H8         G   9 -10.872 -25.495  47.663
   96    H1     G   9           H1         G   9  -7.898 -27.518  52.971
   97   1H2     G   9          1H2         G   9  -9.397 -28.294  54.469
   98   2H2     G   9          2H2         G   9 -11.067 -28.275  54.084
   99   1H5*    C  10          1H5*        C  10 -15.438 -23.728  52.182
  100   2H5*    C  10          2H5*        C  10 -15.670 -22.026  52.584
  101    H4*    C  10           H4*        C  10 -14.941 -23.222  54.462
  102    H3*    C  10           H3*        C  10 -12.885 -21.211  53.425
  103    H2*    C  10           H2*        C  10 -11.466 -21.896  55.331
  104   2HO*    C  10          2HO*        C  10 -12.168 -23.006  56.993
  105    H1*    C  10           H1*        C  10 -11.880 -24.595  55.120
  106   1H4     C  10          1H4         C  10  -6.556 -23.829  51.817
  107   2H4     C  10          2H4         C  10  -7.451 -23.389  50.402
  108    H5     C  10           H5         C  10  -9.859 -23.109  50.387
  109    H6     C  10           H6         C  10 -11.879 -23.210  51.775
  110   1H5*    U  11          1H5*        U  11 -12.896 -20.457  57.401
  111   2H5*    U  11          2H5*        U  11 -12.909 -18.706  57.612
  112    H4*    U  11           H4*        U  11 -11.103 -19.659  58.765
  113    H3*    U  11           H3*        U  11 -10.265 -17.914  56.401
  114    H2*    U  11           H2*        U  11  -7.928 -18.396  57.057
  115   2HO*    U  11          2HO*        U  11  -7.366 -19.223  58.916
  116    H1*    U  11           H1*        U  11  -8.232 -21.075  57.490
  117    H3     U  11           H3         U  11  -5.946 -21.139  53.667
  118    H5     U  11           H5         U  11  -9.842 -20.149  52.478
  119    H6     U  11           H6         U  11 -10.441 -19.997  54.803
  120   1H5*    G  12          1H5*        G  12  -7.985 -16.892  59.664
  121   2H5*    G  12          2H5*        G  12  -7.806 -15.139  59.737
  122    H4*    G  12           H4*        G  12  -5.747 -16.471  59.840
  123    H3*    G  12           H3*        G  12  -6.069 -14.188  57.902
  124    H2*    G  12           H2*        G  12  -4.248 -14.811  56.608
  125   2HO*    G  12          2HO*        G  12  -2.383 -15.543  57.456
  126    H1*    G  12           H1*        G  12  -3.863 -17.490  57.750
  127    H8     G  12           H8         G  12  -6.712 -17.574  55.343
  128    H1     G  12           H1         G  12  -0.962 -17.809  52.515
  129   1H2     G  12          1H2         G  12   0.664 -17.276  53.987
  130   2H2     G  12          2H2         G  12   0.249 -16.888  55.605
  131   1H5*    A  13          1H5*        A  13  -2.621 -13.745  59.955
  132   2H5*    A  13          2H5*        A  13  -2.184 -12.185  60.650
  133    H4*    A  13           H4*        A  13  -0.439 -13.032  59.323
  134    H3*    A  13           H3*        A  13  -1.720 -10.479  58.397
  135    H2*    A  13           H2*        A  13  -0.870 -10.609  56.250
  136   2HO*    A  13          2HO*        A  13   1.216 -11.340  55.854
  137    H1*    A  13           H1*        A  13   0.190 -13.358  56.435
  138    H8     A  13           H8         A  13  -3.500 -12.510  55.646
  139   1H6     A  13          1H6         A  13  -1.987 -13.830  49.812
  140   2H6     A  13          2H6         A  13  -3.275 -13.422  50.894
  141    H2     A  13           H2         A  13   1.746 -13.973  52.299
  142   1H5*    A  14          1H5*        A  14   3.819  -8.115  58.714
  143   2H5*    A  14          2H5*        A  14   2.310  -7.284  58.336
  144    H4*    A  14           H4*        A  14   4.207  -8.704  56.666
  145    H3*    A  14           H3*        A  14   2.522  -6.241  56.327
  146    H2*    A  14           H2*        A  14   1.867  -6.757  54.169
  147   2HO*    A  14          2HO*        A  14   4.374  -7.970  53.816
  148    H1*    A  14           H1*        A  14   2.915  -9.516  54.112
  149    H8     A  14           H8         A  14  -0.494  -8.430  55.605
  150   1H6     A  14          1H6         A  14  -2.891 -10.927  50.499
  151   2H6     A  14          2H6         A  14  -3.240 -10.186  52.022
  152    H2     A  14           H2         A  14   1.583 -11.069  50.166
  153   1H5*    G  15          1H5*        G  15   5.607  -4.515  52.067
  154   2H5*    G  15          2H5*        G  15   4.138  -5.484  52.190
  155    H4*    G  15           H4*        G  15   6.837  -6.653  51.667
  156    H3*    G  15           H3*        G  15   5.147  -5.311  49.586
  157    H2*    G  15           H2*        G  15   5.282  -7.291  48.200
  158   2HO*    G  15          2HO*        G  15   6.725  -8.814  48.412
  159    H1*    G  15           H1*        G  15   4.817  -9.281  49.973
  160    H8     G  15           H8         G  15   2.402  -7.440  51.757
  161    H1     G  15           H1         G  15   0.578  -8.124  45.649
  162   1H2     G  15          1H2         G  15   2.335  -8.717  44.363
  163   2H2     G  15          2H2         G  15   3.881  -8.918  45.078
  164   1H5*    C  16          1H5*        C  16   8.476  -5.182  47.215
  165   2H5*    C  16          2H5*        C  16   8.738  -3.515  46.706
  166    H4*    C  16           H4*        C  16   8.264  -4.934  44.874
  167    H3*    C  16           H3*        C  16   6.170  -2.767  45.394
  168    H2*    C  16           H2*        C  16   4.995  -3.617  43.397
  169   2HO*    C  16          2HO*        C  16   5.871  -4.872  41.950
  170    H1*    C  16           H1*        C  16   5.300  -6.294  43.924
  171   1H4     C  16          1H4         C  16  -0.442  -4.945  46.227
  172   2H4     C  16          2H4         C  16   0.243  -4.666  47.791
  173    H5     C  16           H5         C  16   2.629  -4.660  48.216
  174    H6     C  16           H6         C  16   4.833  -4.930  47.171
  175   1H5*    G  17          1H5*        G  17   6.904  -2.466  41.199
  176   2H5*    G  17          2H5*        G  17   7.061  -0.726  40.958
  177    H4*    G  17           H4*        G  17   5.504  -1.618  39.454
  178    H3*    G  17           H3*        G  17   4.252   0.223  41.547
  179    H2*    G  17           H2*        G  17   2.099  -0.166  40.390
  180   2HO*    G  17          2HO*        G  17   1.925  -1.000  38.463
  181    H1*    G  17           H1*        G  17   2.359  -2.867  40.070
  182    H8     G  17           H8         G  17   3.766  -1.853  43.505
  183    H1     G  17           H1         G  17  -2.528  -3.058  43.307
  184   1H2     G  17          1H2         G  17  -3.214  -3.326  41.174
  185   2H2     G  17          2H2         G  17  -2.078  -3.197  39.895
  186   1H5*    C  18          1H5*        C  18   2.784   1.419  37.695
  187   2H5*    C  18          2H5*        C  18   2.722   3.180  37.758
  188    H4*    C  18           H4*        C  18   0.669   2.235  37.041
  189    H3*    C  18           H3*        C  18   0.540   3.759  39.687
  190    H2*    C  18           H2*        C  18  -1.883   3.272  39.686
  191   2HO*    C  18          2HO*        C  18  -2.963   2.673  38.002
  192    H1*    C  18           H1*        C  18  -1.709   0.650  38.918
  193   1H4     C  18          1H4         C  18  -1.871  -0.005  45.180
  194   2H4     C  18          2H4         C  18  -0.231   0.527  45.340
  195    H5     C  18           H5         C  18   1.102   1.295  43.467
  196    H6     C  18           H6         C  18   1.085   1.696  41.046
  197   1H5*    G  19          1H5*        G  19  -2.582   5.697  37.371
  198   2H5*    G  19          2H5*        G  19  -2.617   7.329  38.039
  199    H4*    G  19           H4*        G  19  -4.699   6.079  38.191
  200    H3*    G  19           H3*        G  19  -3.490   7.220  40.754
  201    H2*    G  19           H2*        G  19  -5.466   6.296  41.925
  202   2HO*    G  19          2HO*        G  19  -7.225   5.680  40.966
  203    H1*    G  19           H1*        G  19  -5.491   3.858  40.692
  204    H8     G  19           H8         G  19  -1.811   4.670  41.244
  205    H1     G  19           H1         G  19  -4.850   2.246  46.343
  206   1H2     G  19          1H2         G  19  -7.076   2.179  45.977
  207   2H2     G  19          2H2         G  19  -7.707   2.737  44.483
  208   1H5*    C  20          1H5*        C  20  -7.310   9.313  40.947
  209   2H5*    C  20          2H5*        C  20  -6.843  10.832  41.713
  210    H4*    C  20           H4*        C  20  -8.501   9.513  42.909
  211    H3*    C  20           H3*        C  20  -5.936  10.303  44.370
  212    H2*    C  20           H2*        C  20  -6.883   9.158  46.351
  213   2HO*    C  20          2HO*        C  20  -8.918   8.532  46.498
  214    H1*    C  20           H1*        C  20  -7.788   6.926  45.062
  215   1H4     C  20          1H4         C  20  -2.102   4.830  46.744
  216   2H4     C  20          2H4         C  20  -1.296   5.956  45.705
  217    H5     C  20           H5         C  20  -2.468   7.611  44.376
  218    H6     C  20           H6         C  20  -4.685   8.493  43.804
  219   1H5*    A  21          1H5*        A  21  -9.228  12.161  46.804
  220   2H5*    A  21          2H5*        A  21  -8.680  13.838  46.794
  221    H4*    A  21           H4*        A  21  -9.394  13.276  48.961
  222    H3*    A  21           H3*        A  21  -6.434  13.804  48.710
  223    H2*    A  21           H2*        A  21  -6.165  13.139  51.049
  224   2HO*    A  21          2HO*        A  21  -7.711  13.068  52.444
  225    H1*    A  21           H1*        A  21  -7.665  10.886  51.083
  226    H8     A  21           H8         A  21  -6.241  10.716  47.618
  227   1H6     A  21          1H6         A  21  -1.175   8.321  50.200
  228   2H6     A  21          2H6         A  21  -2.005   8.639  48.715
  229    H2     A  21           H2         A  21  -3.810   9.896  53.474
  230   1H5*    C  22          1H5*        C  22  -5.232  17.563  51.773
  231   2H5*    C  22          2H5*        C  22  -4.121  16.572  50.828
  232    H4*    C  22           H4*        C  22  -5.122  16.147  53.602
  233    H3*    C  22           H3*        C  22  -2.381  16.944  52.595
  234    H2*    C  22           H2*        C  22  -1.403  15.456  54.291
  235   2HO*    C  22          2HO*        C  22  -2.453  14.682  55.941
  236    H1*    C  22           H1*        C  22  -2.973  13.281  53.921
  237   1H4     C  22          1H4         C  22   1.917  12.662  49.872
  238   2H4     C  22          2H4         C  22   0.751  12.708  48.593
  239    H5     C  22           H5         C  22  -1.587  13.237  48.944
  240    H6     C  22           H6         C  22  -3.257  13.833  50.641
  241   1H5*    G  23          1H5*        G  23  -1.859  17.807  56.413
  242   2H5*    G  23          2H5*        G  23  -1.330  19.475  56.633
  243    H4*    G  23           H4*        G  23   0.103  17.818  57.658
  244    H3*    G  23           H3*        G  23   1.342  19.710  55.612
  245    H2*    G  23           H2*        G  23   3.490  18.559  56.037
  246   2HO*    G  23          2HO*        G  23   3.446  18.338  58.158
  247    H1*    G  23           H1*        G  23   2.547  16.003  55.973
  248    H8     G  23           H8         G  23   0.435  16.949  53.197
  249    H1     G  23           H1         G  23   6.640  17.442  51.658
  250   1H2     G  23          1H2         G  23   7.919  17.419  53.518
  251   2H2     G  23          2H2         G  23   7.174  17.280  55.057
  252   1H5*    G  24          1H5*        G  24   3.734  20.988  58.634
  253   2H5*    G  24          2H5*        G  24   3.888  22.739  58.503
  254    H4*    G  24           H4*        G  24   5.937  21.494  58.163
  255    H3*    G  24           H3*        G  24   5.007  23.355  55.922
  256    H2*    G  24           H2*        G  24   7.053  22.707  54.713
  257   2HO*    G  24          2HO*        G  24   8.727  21.822  55.611
  258    H1*    G  24           H1*        G  24   6.978  20.021  55.308
  259    H8     G  24           H8         G  24   3.381  20.585  54.529
  260    H1     G  24           H1         G  24   7.137  20.658  49.334
  261   1H2     G  24          1H2         G  24   9.309  20.800  49.932
  262   2H2     G  24          2H2         G  24   9.728  20.868  51.594
  263   1H5*    C  25          1H5*        C  25   9.098  24.464  56.462
  264   2H5*    C  25          2H5*        C  25   9.038  26.226  56.447
  265    H4*    C  25           H4*        C  25  10.636  25.345  54.920
  266    H3*    C  25           H3*        C  25   8.347  26.937  53.664
  267    H2*    C  25           H2*        C  25   9.460  26.560  51.494
  268   2HO*    C  25          2HO*        C  25  11.457  25.910  51.281
  269    H1*    C  25           H1*        C  25  10.092  23.918  51.880
  270   1H4     C  25          1H4         C  25   4.643  23.558  48.705
  271   2H4     C  25          2H4         C  25   3.739  23.698  50.175
  272    H5     C  25           H5         C  25   4.766  24.114  52.331
  273    H6     C  25           H6         C  25   6.905  24.478  53.476
  274   1H5*    A  26          1H5*        A  26  12.027  28.372  51.934
  275   2H5*    A  26          2H5*        A  26  11.792  30.117  51.846
  276    H4*    A  26           H4*        A  26  12.494  29.151  49.775
  277    H3*    A  26           H3*        A  26   9.774  30.546  49.759
  278    H2*    A  26           H2*        A  26   9.679  30.015  47.345
  279   2HO*    A  26          2HO*        A  26  11.351  29.345  46.210
  280    H1*    A  26           H1*        A  26  10.571  27.434  47.523
  281    H8     A  26           H8         A  26   8.270  28.061  50.504
  282   1H6     A  26          1H6         A  26   3.678  26.341  46.761
  283   2H6     A  26          2H6         A  26   4.120  26.741  48.386
  284    H2     A  26           H2         A  26   7.419  26.726  44.311
  285   1H5*    A  27          1H5*        A  27  12.063  32.078  46.392
  286   2H5*    A  27          2H5*        A  27  11.374  33.668  46.065
  287    H4*    A  27           H4*        A  27  11.351  31.911  44.277
  288    H3*    A  27           H3*        A  27   8.888  33.607  44.919
  289    H2*    A  27           H2*        A  27   7.735  32.382  43.126
  290   2HO*    A  27          2HO*        A  27   8.690  31.463  41.562
  291    H1*    A  27           H1*        A  27   8.730  29.879  43.707
  292    H8     A  27           H8         A  27   7.890  31.294  47.089
  293   1H6     A  27          1H6         A  27   2.066  29.573  46.001
  294   2H6     A  27          2H6         A  27   3.183  30.156  47.187
  295    H2     A  27           H2         A  27   4.391  29.159  42.183
  296   1H5*    G  28          1H5*        G  28   8.067  35.604  40.035
  297   2H5*    G  28          2H5*        G  28   6.995  35.689  41.433
  298    H4*    G  28           H4*        G  28   7.162  33.694  39.252
  299    H3*    G  28           H3*        G  28   4.910  35.440  40.263
  300    H2*    G  28           H2*        G  28   3.358  33.592  39.814
  301   2HO*    G  28          2HO*        G  28   4.116  32.914  37.913
  302    H1*    G  28           H1*        G  28   4.769  31.548  40.894
  303    H8     G  28           H8         G  28   5.886  33.564  43.603
  304    H1     G  28           H1         G  28  -0.514  33.195  43.599
  305   1H2     G  28          1H2         G  28  -1.261  32.465  41.598
  306   2H2     G  28          2H2         G  28  -0.138  32.101  40.355
  307   1H5*    A  29          1H5*        A  29   3.771  38.881  38.539
  308   2H5*    A  29          2H5*        A  29   3.674  37.330  39.372
  309    H4*    A  29           H4*        A  29   2.289  37.691  36.783
  310    H3*    A  29           H3*        A  29   1.367  39.177  39.227
  311    H2*    A  29           H2*        A  29  -0.862  38.256  38.925
  312   2HO*    A  29          2HO*        A  29  -1.460  37.126  37.119
  313    H1*    A  29           H1*        A  29  -0.313  35.655  38.423
  314    H8     A  29           H8         A  29   2.393  35.760  40.765
  315   1H6     A  29          1H6         A  29  -1.681  36.210  45.376
  316   2H6     A  29          2H6         A  29  -0.036  35.880  44.954
  317    H2     A  29           H2         A  29  -3.813  37.093  41.527
  318   1H5*    G  30          1H5*        G  30  -1.242  40.421  37.653
  319   2H5*    G  30          2H5*        G  30  -1.033  41.852  36.644
  320    H4*    G  30           H4*        G  30  -2.231  43.181  37.988
  321    H3*    G  30           H3*        G  30  -1.117  42.361  40.273
  322    H2*    G  30           H2*        G  30  -2.066  40.065  40.310
  323   2HO*    G  30          2HO*        G  30  -3.744  40.119  41.797
  324    H1*    G  30           H1*        G  30  -4.793  41.261  39.750
  325    H8     G  30           H8         G  30  -2.959  38.823  37.379
  326    H1     G  30           H1         G  30  -7.719  36.328  40.876
  327   1H2     G  30          1H2         G  30  -8.467  37.835  42.381
  328   2H2     G  30          2H2         G  30  -7.753  39.393  42.447
  329   1H5*    G  31          1H5*        G  31  -1.496  45.522  42.991
  330   2H5*    G  31          2H5*        G  31   0.056  44.697  43.147
  331    H4*    G  31           H4*        G  31  -2.507  43.258  42.703
  332    H3*    G  31           H3*        G  31  -1.841  44.542  45.230
  333    H2*    G  31           H2*        G  31  -0.801  42.692  46.204
  334   2HO*    G  31          2HO*        G  31  -2.113  41.147  46.900
  335    H1*    G  31           H1*        G  31  -1.951  40.755  44.148
  336    H8     G  31           H8         G  31  -0.966  38.620  45.186
  337    H1     G  31           H1         G  31   4.867  41.281  45.271
  338   1H2     G  31          1H2         G  31   4.751  43.457  44.682
  339   2H2     G  31          2H2         G  31   3.231  44.151  44.296
  340   1H5*    C  32          1H5*        C  32  -5.571  44.227  42.996
  341   2H5*    C  32          2H5*        C  32  -7.151  44.869  43.446
  342    H4*    C  32           H4*        C  32  -7.265  42.633  42.655
  343    H3*    C  32           H3*        C  32  -8.122  43.040  45.563
  344    H2*    C  32           H2*        C  32  -8.644  40.634  45.608
  345   2HO*    C  32          2HO*        C  32  -9.627  40.464  43.681
  346    H1*    C  32           H1*        C  32  -6.423  39.764  44.237
  347   1H4     C  32          1H4         C  32  -4.927  39.070  50.364
  348   2H4     C  32          2H4         C  32  -4.057  40.567  50.309
  349    H5     C  32           H5         C  32  -4.078  42.045  48.389
  350    H6     C  32           H6         C  32  -4.969  42.346  46.121
  351   1H5*    G  33          1H5*        G  33 -12.146  42.242  44.507
  352   2H5*    G  33          2H5*        G  33 -13.006  43.626  45.181
  353    H4*    G  33           H4*        G  33 -13.767  41.632  46.169
  354    H3*    G  33           H3*        G  33 -12.298  43.495  48.069
  355    H2*    G  33           H2*        G  33 -12.676  41.813  49.842
  356   2HO*    G  33          2HO*        G  33 -14.031  40.202  49.677
  357    H1*    G  33           H1*        G  33 -11.952  39.609  48.434
  358    H8     G  33           H8         G  33  -9.478  42.040  47.032
  359    H1     G  33           H1         G  33  -8.100  40.086  52.981
  360   1H2     G  33          1H2         G  33  -9.867  39.015  53.889
  361   2H2     G  33          2H2         G  33 -11.308  38.830  52.976
  362   1H5*    U  34          1H5*        U  34 -15.662  42.137  50.192
  363   2H5*    U  34          2H5*        U  34 -16.373  43.591  50.891
  364    H4*    U  34           H4*        U  34 -16.070  41.868  52.497
  365    H3*    U  34           H3*        U  34 -14.455  44.416  52.993
  366    H2*    U  34           H2*        U  34 -13.650  43.328  55.064
  367   2HO*    U  34          2HO*        U  34 -14.524  41.591  55.907
  368    H1*    U  34           H1*        U  34 -13.149  40.864  53.989
  369    H3     U  34           H3         U  34  -8.988  42.342  54.583
  370    H5     U  34           H5         U  34 -10.290  44.386  51.161
  371    H6     U  34           H6         U  34 -12.480  43.461  51.525
  372   1H5*    C  35          1H5*        C  35 -16.087  43.743  56.813
  373   2H5*    C  35          2H5*        C  35 -16.846  45.295  57.168
  374    H4*    C  35           H4*        C  35 -15.521  44.694  58.962
  375    H3*    C  35           H3*        C  35 -14.298  47.019  57.395
  376    H2*    C  35           H2*        C  35 -12.497  47.034  59.063
  377   2HO*    C  35          2HO*        C  35 -12.613  46.065  60.956
  378    H1*    C  35           H1*        C  35 -12.219  44.297  59.317
  379   1H4     C  35          1H4         C  35  -7.537  45.803  55.354
  380   2H4     C  35          2H4         C  35  -8.620  45.766  54.002
  381    H5     C  35           H5         C  35 -11.010  45.435  54.227
  382    H6     C  35           H6         C  35 -12.825  45.073  55.839
  383    H3T    C  35           H3T        C  35 -14.930  47.625  59.767
  384   1H5*    G  36          1H5*        G  36   2.037  45.429  60.251
  385   2H5*    G  36          2H5*        G  36   0.975  46.270  59.096
  386    H4*    G  36           H4*        G  36   0.440  45.710  61.983
  387    H3*    G  36           H3*        G  36  -0.546  44.197  59.536
  388    H2*    G  36           H2*        G  36  -2.728  43.985  60.680
  389   2HO*    G  36          2HO*        G  36  -3.034  44.402  62.738
  390    H1*    G  36           H1*        G  36  -2.958  46.553  61.530
  391    H8     G  36           H8         G  36  -1.282  47.021  58.184
  392    H1     G  36           H1         G  36  -7.572  45.826  57.852
  393   1H2     G  36          1H2         G  36  -8.355  45.148  59.858
  394   2H2     G  36          2H2         G  36  -7.280  45.025  61.189
  395    H5T    G  36           H5T        G  36   2.534  47.670  60.055
  396   1H5*    A  37          1H5*        A  37  -2.096  42.017  62.777
  397   2H5*    A  37          2H5*        A  37  -1.630  40.356  62.411
  398    H4*    A  37           H4*        A  37  -3.927  40.526  62.924
  399    H3*    A  37           H3*        A  37  -3.330  39.673  60.049
  400    H2*    A  37           H2*        A  37  -5.766  39.488  59.738
  401   2HO*    A  37          2HO*        A  37  -7.160  39.389  61.313
  402    H1*    A  37           H1*        A  37  -6.470  41.782  61.083
  403    H8     A  37           H8         A  37  -3.453  42.850  59.111
  404   1H6     A  37          1H6         A  37  -7.246  43.546  54.296
  405   2H6     A  37          2H6         A  37  -5.657  43.839  54.913
  406    H2     A  37           H2         A  37  -9.481  41.407  57.548
  407   1H5*    C  38          1H5*        C  38  -6.180  36.902  61.247
  408   2H5*    C  38          2H5*        C  38  -5.602  35.349  60.644
  409    H4*    C  38           H4*        C  38  -7.838  35.913  59.969
  410    H3*    C  38           H3*        C  38  -5.789  35.438  57.751
  411    H2*    C  38           H2*        C  38  -7.548  35.863  56.138
  412   2HO*    C  38          2HO*        C  38  -9.607  35.661  56.532
  413    H1*    C  38           H1*        C  38  -8.922  37.834  57.578
  414   1H4     C  38          1H4         C  38  -5.884  40.963  52.978
  415   2H4     C  38          2H4         C  38  -4.544  41.227  54.041
  416    H5     C  38           H5         C  38  -4.384  40.235  56.247
  417    H6     C  38           H6         C  38  -5.520  38.771  57.855
  418   1H5*    G  39          1H5*        G  39  -9.286  33.038  56.774
  419   2H5*    G  39          2H5*        G  39  -8.592  31.539  56.155
  420    H4*    G  39           H4*        G  39 -10.262  32.593  54.736
  421    H3*    G  39           H3*        G  39  -7.503  32.016  53.554
  422    H2*    G  39           H2*        G  39  -8.386  32.926  51.428
  423   2HO*    G  39          2HO*        G  39 -10.406  33.142  50.995
  424    H1*    G  39           H1*        G  39  -9.645  35.110  52.482
  425    H8     G  39           H8         G  39  -6.501  34.993  54.543
  426    H1     G  39           H1         G  39  -5.664  37.299  48.620
  427   1H2     G  39          1H2         G  39  -7.491  36.908  47.355
  428   2H2     G  39          2H2         G  39  -8.838  36.094  48.039
  429   1H5*    G  40          1H5*        G  40  -8.141  28.992  49.598
  430   2H5*    G  40          2H5*        G  40  -6.958  30.258  49.931
  431    H4*    G  40           H4*        G  40  -9.513  30.504  48.419
  432    H3*    G  40           H3*        G  40  -6.672  30.271  47.352
  433    H2*    G  40           H2*        G  40  -7.308  31.923  45.624
  434   2HO*    G  40          2HO*        G  40  -9.304  32.490  45.204
  435    H1*    G  40           H1*        G  40  -8.587  33.686  47.250
  436    H8     G  40           H8         G  40  -5.907  32.815  49.643
  437    H1     G  40           H1         G  40  -3.791  36.300  44.696
  438   1H2     G  40          1H2         G  40  -5.335  36.352  43.050
  439   2H2     G  40          2H2         G  40  -6.821  35.522  43.254
  440   1H5*    C  41          1H5*        C  41  -8.471  30.065  43.900
  441   2H5*    C  41          2H5*        C  41  -7.958  28.580  43.099
  442    H4*    C  41           H4*        C  41  -7.596  30.406  41.689
  443    H3*    C  41           H3*        C  41  -5.010  29.129  42.685
  444    H2*    C  41           H2*        C  41  -3.812  30.798  41.305
  445   2HO*    C  41          2HO*        C  41  -4.799  32.073  39.868
  446    H1*    C  41           H1*        C  41  -5.295  32.974  42.014
  447   1H4     C  41          1H4         C  41  -0.552  33.159  46.184
  448   2H4     C  41          2H4         C  41  -1.432  32.139  47.272
  449    H5     C  41           H5         C  41  -3.558  31.118  46.708
  450    H6     C  41           H6         C  41  -5.251  30.894  44.946
  451   1H5*    U  42          1H5*        U  42  -4.590  27.776  38.787
  452   2H5*    U  42          2H5*        U  42  -4.335  26.031  38.776
  453    H4*    U  42           H4*        U  42  -2.507  27.228  37.855
  454    H3*    U  42           H3*        U  42  -1.886  25.637  40.391
  455    H2*    U  42           H2*        U  42   0.410  26.396  40.210
  456   2HO*    U  42          2HO*        U  42   1.294  27.148  38.417
  457    H1*    U  42           H1*        U  42  -0.113  28.962  39.224
  458    H3     U  42           H3         U  42   1.957  29.915  43.062
  459    H5     U  42           H5         U  42  -1.844  28.621  44.268
  460    H6     U  42           H6         U  42  -2.294  28.028  41.981
  461   1H5*    U  43          1H5*        U  43   0.996  24.575  37.354
  462   2H5*    U  43          2H5*        U  43   1.386  22.873  37.609
  463    H4*    U  43           H4*        U  43   3.283  24.379  37.507
  464    H3*    U  43           H3*        U  43   2.953  22.646  40.008
  465    H2*    U  43           H2*        U  43   5.027  23.637  40.835
  466   2HO*    U  43          2HO*        U  43   6.434  24.678  39.605
  467    H1*    U  43           H1*        U  43   4.597  26.222  39.912
  468    H3     U  43           H3         U  43   4.639  26.709  44.370
  469    H5     U  43           H5         U  43   0.804  25.245  43.521
  470    H6     U  43           H6         U  43   1.509  24.908  41.245
  471   1H5*    G  44          1H5*        G  44   6.963  22.276  38.283
  472   2H5*    G  44          2H5*        G  44   7.432  20.594  38.525
  473    H4*    G  44           H4*        G  44   9.107  22.199  39.198
  474    H3*    G  44           H3*        G  44   8.084  20.241  41.294
  475    H2*    G  44           H2*        G  44   9.630  21.323  42.892
  476   2HO*    G  44          2HO*        G  44  11.181  22.657  42.324
  477    H1*    G  44           H1*        G  44   9.062  23.906  42.266
  478    H8     G  44           H8         G  44   5.749  22.032  41.973
  479    H1     G  44           H1         G  44   7.354  23.849  47.909
  480   1H2     G  44          1H2         G  44   9.479  24.607  47.955
  481   2H2     G  44          2H2         G  44  10.403  24.628  46.511
  482   1H5*    C  45          1H5*        C  45  12.161  20.229  41.970
  483   2H5*    C  45          2H5*        C  45  12.601  18.523  42.039
  484    H4*    C  45           H4*        C  45  13.395  19.652  43.930
  485    H3*    C  45           H3*        C  45  11.189  17.630  44.558
  486    H2*    C  45           H2*        C  45  11.505  18.235  46.932
  487   2HO*    C  45          2HO*        C  45  13.175  19.302  47.673
  488    H1*    C  45           H1*        C  45  11.676  20.946  46.582
  489   1H4     C  45          1H4         C  45   5.556  20.191  47.926
  490   2H4     C  45          2H4         C  45   5.201  19.797  46.278
  491    H5     C  45           H5         C  45   6.909  19.552  44.575
  492    H6     C  45           H6         C  45   9.324  19.647  44.153
  493   1H5*    U  46          1H5*        U  46  13.985  16.742  47.362
  494   2H5*    U  46          2H5*        U  46  14.101  14.984  47.453
  495    H4*    U  46           H4*        U  46  13.631  15.909  49.563
  496    H3*    U  46           H3*        U  46  11.365  14.206  48.421
  497    H2*    U  46           H2*        U  46  10.159  14.651  50.536
  498   2HO*    U  46          2HO*        U  46  11.068  15.446  52.273
  499    H1*    U  46           H1*        U  46  10.710  17.323  50.693
  500    H3     U  46           H3         U  46   6.394  17.451  49.588
  501    H5     U  46           H5         U  46   8.318  16.533  45.978
  502    H6     U  46           H6         U  46  10.378  16.331  47.206
  503   1H5*    G  47          1H5*        G  47  11.974  13.119  52.373
  504   2H5*    G  47          2H5*        G  47  11.872  11.361  52.487
  505    H4*    G  47           H4*        G  47  10.479  12.668  54.034
  506    H3*    G  47           H3*        G  47   9.339  10.443  52.350
  507    H2*    G  47           H2*        G  47   7.136  11.067  52.733
  508   2HO*    G  47          2HO*        G  47   6.412  11.758  54.660
  509    H1*    G  47           H1*        G  47   7.674  13.721  53.861
  510    H8     G  47           H8         G  47   8.059  13.851  50.149
  511    H1     G  47           H1         G  47   1.960  14.128  52.112
  512   1H2     G  47          1H2         G  47   1.808  13.570  54.294
  513   2H2     G  47          2H2         G  47   3.226  13.156  55.164
  514   1H5*    A  48          1H5*        A  48   8.230   9.880  56.209
  515   2H5*    A  48          2H5*        A  48   8.383   8.273  56.917
  516    H4*    A  48           H4*        A  48   6.211   9.159  57.216
  517    H3*    A  48           H3*        A  48   6.465   6.648  55.586
  518    H2*    A  48           H2*        A  48   4.357   6.821  54.648
  519   2HO*    A  48          2HO*        A  48   2.595   7.532  55.833
  520    H1*    A  48           H1*        A  48   3.757   9.555  55.579
  521    H8     A  48           H8         A  48   5.861   8.750  52.434
  522   1H6     A  48          1H6         A  48   0.746  10.212  49.309
  523   2H6     A  48          2H6         A  48   2.418   9.783  49.187
  524    H2     A  48           H2         A  48  -0.220  10.272  53.690
  525   1H5*    A  49          1H5*        A  49   2.703   4.154  59.568
  526   2H5*    A  49          2H5*        A  49   3.529   3.377  58.218
  527    H4*    A  49           H4*        A  49   1.014   4.819  58.379
  528    H3*    A  49           H3*        A  49   1.960   2.380  56.907
  529    H2*    A  49           H2*        A  49   0.964   2.967  54.904
  530   2HO*    A  49          2HO*        A  49  -1.091   4.156  56.399
  531    H1*    A  49           H1*        A  49   0.186   5.712  55.669
  532    H8     A  49           H8         A  49   3.668   4.635  54.346
  533   1H6     A  49          1H6         A  49   1.875   7.319  49.089
  534   2H6     A  49          2H6         A  49   3.178   6.538  49.919
  535    H2     A  49           H2         A  49  -1.576   7.402  51.956
  536   1H5*    G  50          1H5*        G  50  -3.241   0.745  55.913
  537   2H5*    G  50          2H5*        G  50  -2.065   1.698  55.006
  538    H4*    G  50           H4*        G  50  -4.359   2.897  56.494
  539    H3*    G  50           H3*        G  50  -4.572   1.625  53.780
  540    H2*    G  50           H2*        G  50  -5.623   3.644  52.932
  541   2HO*    G  50          2HO*        G  50  -6.488   5.147  54.136
  542    H1*    G  50           H1*        G  50  -4.031   5.572  53.966
  543    H8     G  50           H8         G  50  -1.078   3.703  53.496
  544    H1     G  50           H1         G  50  -4.002   4.647  47.868
  545   1H2     G  50          1H2         G  50  -6.150   5.262  48.188
  546   2H2     G  50          2H2         G  50  -6.761   5.411  49.783
  547   1H5*    C  51          1H5*        C  51  -8.624   1.496  54.388
  548   2H5*    C  51          2H5*        C  51  -9.183  -0.157  54.137
  549    H4*    C  51           H4*        C  51 -10.090   1.353  52.550
  550    H3*    C  51           H3*        C  51  -8.279  -0.819  51.387
  551    H2*    C  51           H2*        C  51  -8.798   0.122  49.169
  552   2HO*    C  51          2HO*        C  51 -10.410   1.424  48.780
  553    H1*    C  51           H1*        C  51  -8.615   2.778  49.861
  554   1H4     C  51          1H4         C  51  -2.927   1.464  47.412
  555   2H4     C  51          2H4         C  51  -2.325   1.076  48.989
  556    H5     C  51           H5         C  51  -3.731   0.983  50.960
  557    H6     C  51           H6         C  51  -6.029   1.254  51.778
  558   1H5*    G  52          1H5*        G  52 -11.726  -0.901  48.861
  559   2H5*    G  52          2H5*        G  52 -12.065  -2.627  48.740
  560    H4*    G  52           H4*        G  52 -11.968  -1.674  46.608
  561    H3*    G  52           H3*        G  52  -9.656  -3.593  47.174
  562    H2*    G  52           H2*        G  52  -8.916  -3.151  44.854
  563   2HO*    G  52          2HO*        G  52 -10.118  -2.227  43.382
  564    H1*    G  52           H1*        G  52  -9.269  -0.440  44.888
  565    H8     G  52           H8         G  52  -7.873  -1.636  48.276
  566    H1     G  52           H1         G  52  -3.518  -0.261  43.776
  567   1H2     G  52          1H2         G  52  -4.527   0.127  41.795
  568   2H2     G  52          2H2         G  52  -6.235   0.030  41.678
  569   1H5*    C  53          1H5*        C  53 -11.332  -4.613  43.338
  570   2H5*    C  53          2H5*        C  53 -11.244  -6.373  43.266
  571    H4*    C  53           H4*        C  53 -10.272  -5.313  41.366
  572    H3*    C  53           H3*        C  53  -8.370  -6.993  43.069
  573    H2*    C  53           H2*        C  53  -6.622  -6.440  41.415
  574   2HO*    C  53          2HO*        C  53  -7.004  -5.739  39.490
  575    H1*    C  53           H1*        C  53  -7.239  -3.783  41.129
  576   1H4     C  53          1H4         C  53  -2.700  -3.448  45.484
  577   2H4     C  53          2H4         C  53  -3.758  -4.040  46.720
  578    H5     C  53           H5         C  53  -6.035  -4.753  46.290
  579    H6     C  53           H6         C  53  -7.735  -5.026  44.543
  580   1H5*    G  54          1H5*        G  54  -7.795  -8.811  39.123
  581   2H5*    G  54          2H5*        G  54  -7.335 -10.460  39.550
  582    H4*    G  54           H4*        G  54  -5.714  -9.189  38.236
  583    H3*    G  54           H3*        G  54  -4.821 -10.453  40.872
  584    H2*    G  54           H2*        G  54  -2.567  -9.561  40.364
  585   2HO*    G  54          2HO*        G  54  -1.963  -8.889  38.474
  586    H1*    G  54           H1*        G  54  -3.355  -7.072  39.554
  587    H8     G  54           H8         G  54  -5.606  -7.970  42.499
  588    H1     G  54           H1         G  54   0.158  -5.652  44.084
  589   1H2     G  54          1H2         G  54   1.486  -5.526  42.262
  590   2H2     G  54          2H2         G  54   0.881  -6.021  40.736
  591   1H5*    C  55          1H5*        C  55  -2.014 -12.665  38.287
  592   2H5*    C  55          2H5*        C  55  -1.846 -14.154  39.216
  593    H4*    C  55           H4*        C  55   0.190 -12.824  38.852
  594    H3*    C  55           H3*        C  55  -0.583 -13.680  41.680
  595    H2*    C  55           H2*        C  55   1.489 -12.553  42.432
  596   2HO*    C  55          2HO*        C  55   3.027 -11.890  41.104
  597    H1*    C  55           H1*        C  55   1.214 -10.285  40.934
  598   1H4     C  55          1H4         C  55  -1.585  -8.334  46.219
  599   2H4     C  55          2H4         C  55  -2.918  -9.416  45.999
  600    H5     C  55           H5         C  55  -3.057 -10.996  44.167
  601    H6     C  55           H6         C  55  -1.900 -11.833  42.171
  602   1H5*    A  56          1H5*        A  56   3.422 -15.579  41.032
  603   2H5*    A  56          2H5*        A  56   3.012 -17.265  41.347
  604    H4*    A  56           H4*        A  56   5.043 -16.772  42.414
  605    H3*    A  56           H3*        A  56   2.748 -17.324  44.291
  606    H2*    A  56           H2*        A  56   4.189 -16.715  46.167
  607   2HO*    A  56          2HO*        A  56   6.271 -16.672  46.096
  608    H1*    A  56           H1*        A  56   5.318 -14.447  45.211
  609    H8     A  56           H8         A  56   1.895 -14.194  43.706
  610   1H6     A  56          1H6         A  56   0.060 -11.926  49.141
  611   2H6     A  56          2H6         A  56  -0.374 -12.191  47.488
  612    H2     A  56           H2         A  56   4.207 -13.569  49.633
  613   1H5*    C  57          1H5*        C  57   3.973 -21.161  47.231
  614   2H5*    C  57          2H5*        C  57   2.529 -20.154  47.346
  615    H4*    C  57           H4*        C  57   5.182 -19.789  48.654
  616    H3*    C  57           H3*        C  57   2.505 -20.589  49.815
  617    H2*    C  57           H2*        C  57   2.989 -19.149  51.747
  618   2HO*    C  57          2HO*        C  57   4.895 -18.409  52.230
  619    H1*    C  57           H1*        C  57   3.882 -16.950  50.443
  620   1H4     C  57          1H4         C  57  -2.444 -16.292  50.931
  621   2H4     C  57          2H4         C  57  -2.491 -16.291  49.200
  622    H5     C  57           H5         C  57  -0.563 -16.800  47.820
  623    H6     C  57           H6         C  57   1.811 -17.417  47.872
  624   1H5*    G  58          1H5*        G  58   4.780 -21.667  52.865
  625   2H5*    G  58          2H5*        G  58   4.505 -23.342  53.342
  626    H4*    G  58           H4*        G  58   4.215 -21.717  55.113
  627    H3*    G  58           H3*        G  58   1.869 -23.551  54.448
  628    H2*    G  58           H2*        G  58   0.641 -22.424  56.279
  629   2HO*    G  58          2HO*        G  58   2.147 -22.274  57.780
  630    H1*    G  58           H1*        G  58   1.336 -19.864  55.648
  631    H8     G  58           H8         G  58   0.880 -20.692  52.163
  632    H1     G  58           H1         G  58  -4.641 -21.168  55.390
  633   1H2     G  58          1H2         G  58  -4.252 -21.225  57.612
  634   2H2     G  58          2H2         G  58  -2.642 -21.139  58.194
  635   1H5*    G  59          1H5*        G  59   2.199 -24.911  58.247
  636   2H5*    G  59          2H5*        G  59   1.975 -26.660  58.227
  637    H4*    G  59           H4*        G  59   0.279 -25.421  59.425
  638    H3*    G  59           H3*        G  59  -0.630 -27.215  57.121
  639    H2*    G  59           H2*        G  59  -2.931 -26.547  57.679
  640   2HO*    G  59          2HO*        G  59  -3.509 -25.708  59.509
  641    H1*    G  59           H1*        G  59  -2.427 -23.879  58.137
  642    H8     G  59           H8         G  59  -0.399 -24.380  55.056
  643    H1     G  59           H1         G  59  -6.714 -24.333  53.950
  644   1H2     G  59          1H2         G  59  -7.856 -24.517  55.887
  645   2H2     G  59          2H2         G  59  -7.000 -24.642  57.368
  646   1H5*    C  60          1H5*        C  60  -3.219 -28.391  60.337
  647   2H5*    C  60          2H5*        C  60  -3.205 -30.151  60.218
  648    H4*    C  60           H4*        C  60  -5.405 -29.238  60.266
  649    H3*    C  60           H3*        C  60  -4.653 -30.766  57.726
  650    H2*    C  60           H2*        C  60  -6.957 -30.335  56.951
  651   2HO*    C  60          2HO*        C  60  -8.533 -29.695  58.207
  652    H1*    C  60           H1*        C  60  -7.111 -27.715  57.750
  653   1H4     C  60          1H4         C  60  -5.407 -27.193  51.690
  654   2H4     C  60          2H4         C  60  -3.736 -27.359  52.112
  655    H5     C  60           H5         C  60  -2.977 -27.850  54.361
  656    H6     C  60           H6         C  60  -3.719 -28.276  56.661
  657   1H5*    A  61          1H5*        A  61  -8.533 -32.156  59.008
  658   2H5*    A  61          2H5*        A  61  -8.451 -33.899  58.753
  659    H4*    A  61           H4*        A  61 -10.387 -32.893  57.780
  660    H3*    A  61           H3*        A  61  -8.472 -34.272  55.839
  661    H2*    A  61           H2*        A  61 -10.087 -33.685  54.058
  662   2HO*    A  61          2HO*        A  61 -12.066 -32.982  54.436
  663    H1*    A  61           H1*        A  61 -10.564 -31.113  54.857
  664    H8     A  61           H8         A  61  -6.844 -31.820  55.368
  665   1H6     A  61          1H6         A  61  -6.143 -29.963  49.527
  666   2H6     A  61          2H6         A  61  -5.332 -30.416  50.986
  667    H2     A  61           H2         A  61 -10.538 -30.283  50.382
  668   1H5*    A  62          1H5*        A  62 -12.478 -35.716  55.018
  669   2H5*    A  62          2H5*        A  62 -12.257 -37.299  54.273
  670    H4*    A  62           H4*        A  62 -13.460 -35.505  53.013
  671    H3*    A  62           H3*        A  62 -11.272 -37.199  51.710
  672    H2*    A  62           H2*        A  62 -11.691 -35.925  49.648
  673   2HO*    A  62          2HO*        A  62 -13.459 -34.979  49.222
  674    H1*    A  62           H1*        A  62 -11.967 -33.443  50.814
  675    H8     A  62           H8         A  62  -9.014 -34.932  52.605
  676   1H6     A  62          1H6         A  62  -5.602 -33.138  47.788
  677   2H6     A  62          2H6         A  62  -5.574 -33.759  49.403
  678    H2     A  62           H2         A  62  -9.931 -32.651  46.704
  679   1H5*    G  63          1H5*        G  63 -14.128 -39.071  47.603
  680   2H5*    G  63          2H5*        G  63 -12.385 -39.177  47.851
  681    H4*    G  63           H4*        G  63 -14.012 -37.131  46.461
  682    H3*    G  63           H3*        G  63 -11.721 -38.885  45.557
  683    H2*    G  63           H2*        G  63 -10.905 -37.014  44.195
  684   2HO*    G  63          2HO*        G  63 -12.769 -36.290  43.388
  685    H1*    G  63           H1*        G  63 -11.125 -35.011  46.004
  686    H8     G  63           H8         G  63 -10.051 -37.112  48.666
  687    H1     G  63           H1         G  63  -5.483 -36.682  44.188
  688   1H2     G  63          1H2         G  63  -6.342 -35.889  42.258
  689   2H2     G  63          2H2         G  63  -8.011 -35.501  42.168
  690   1H5*    A  64          1H5*        A  64 -12.151 -42.279  43.455
  691   2H5*    A  64          2H5*        A  64 -11.474 -40.760  44.039
  692    H4*    A  64           H4*        A  64 -12.259 -41.024  41.201
  693    H3*    A  64           H3*        A  64  -9.919 -42.566  42.297
  694    H2*    A  64           H2*        A  64  -8.514 -41.631  40.541
  695   2HO*    A  64          2HO*        A  64  -9.336 -40.440  38.860
  696    H1*    A  64           H1*        A  64  -9.233 -39.024  40.624
  697    H8     A  64           H8         A  64  -9.529 -39.212  44.190
  698   1H6     A  64          1H6         A  64  -3.398 -39.734  44.624
  699   2H6     A  64          2H6         A  64  -4.866 -39.411  45.481
  700    H2     A  64           H2         A  64  -4.575 -40.499  40.361
  701   1H5*    G  65          1H5*        G  65  -9.159 -43.756  39.294
  702   2H5*    G  65          2H5*        G  65 -10.026 -45.174  38.707
  703    H4*    G  65           H4*        G  65  -8.237 -46.509  38.778
  704    H3*    G  65           H3*        G  65  -7.431 -45.768  41.215
  705    H2*    G  65           H2*        G  65  -6.702 -43.463  40.647
  706   2HO*    G  65          2HO*        G  65  -4.462 -43.538  40.537
  707    H1*    G  65           H1*        G  65  -5.155 -44.607  38.306
  708    H8     G  65           H8         G  65  -8.095 -42.120  37.975
  709    H1     G  65           H1         G  65  -2.217 -39.679  37.197
  710   1H2     G  65          1H2         G  65  -0.649 -41.224  37.697
  711   2H2     G  65          2H2         G  65  -1.131 -42.790  38.199
  712   1H5*    G  66          1H5*        G  66  -5.267 -48.985  42.800
  713   2H5*    G  66          2H5*        G  66  -6.247 -48.180  44.025
  714    H4*    G  66           H4*        G  66  -4.731 -46.711  41.932
  715    H3*    G  66           H3*        G  66  -3.437 -48.049  44.168
  716    H2*    G  66           H2*        G  66  -3.484 -46.232  45.636
  717   2HO*    G  66          2HO*        G  66  -2.051 -44.683  45.244
  718    H1*    G  66           H1*        G  66  -4.088 -44.241  43.405
  719    H8     G  66           H8         G  66  -4.074 -42.127  44.859
  720    H1     G  66           H1         G  66  -8.115 -44.867  49.013
  721   1H2     G  66          1H2         G  66  -8.441 -47.037  48.483
  722   2H2     G  66          2H2         G  66  -7.639 -47.707  47.124
  723   1H5*    C  67          1H5*        C  67  -2.293 -47.642  39.967
  724   2H5*    C  67          2H5*        C  67  -0.838 -48.270  39.193
  725    H4*    C  67           H4*        C  67  -1.303 -46.018  38.587
  726    H3*    C  67           H3*        C  67   1.328 -46.464  40.078
  727    H2*    C  67           H2*        C  67   1.740 -44.050  39.798
  728   2HO*    C  67          2HO*        C  67   1.109 -43.833  37.736
  729    H1*    C  67           H1*        C  67  -0.802 -43.188  40.382
  730   1H4     C  67          1H4         C  67   2.388 -42.661  45.842
  731   2H4     C  67          2H4         C  67   1.708 -44.164  46.370
  732    H5     C  67           H5         C  67   0.374 -45.593  44.937
  733    H6     C  67           H6         C  67  -0.563 -45.827  42.681
  734   1H5*    G  68          1H5*        G  68   3.506 -45.624  36.528
  735   2H5*    G  68          2H5*        G  68   4.586 -47.014  36.407
  736    H4*    G  68           H4*        G  68   5.823 -45.020  36.618
  737    H3*    G  68           H3*        G  68   6.081 -46.927  38.971
  738    H2*    G  68           H2*        G  68   7.587 -45.269  40.015
  739   2HO*    G  68          2HO*        G  68   8.452 -43.639  38.986
  740    H1*    G  68           H1*        G  68   6.096 -43.052  39.545
  741    H8     G  68           H8         G  68   3.330 -45.481  40.206
  742    H1     G  68           H1         G  68   6.479 -43.650  45.483
  743   1H2     G  68          1H2         G  68   8.387 -42.577  44.932
  744   2H2     G  68          2H2         G  68   8.792 -42.362  43.279
  745   1H5*    U  69          1H5*        U  69   9.990 -45.564  38.210
  746   2H5*    U  69          2H5*        U  69  10.976 -47.026  38.209
  747    H4*    U  69           H4*        U  69  11.855 -45.316  39.616
  748    H3*    U  69           H3*        U  69  11.046 -47.907  41.021
  749    H2*    U  69           H2*        U  69  11.880 -46.869  43.105
  750   2HO*    U  69          2HO*        U  69  13.090 -45.131  43.162
  751    H1*    U  69           H1*        U  69  10.773 -44.394  42.726
  752    H3     U  69           H3         U  69   8.201 -45.967  46.014
  753    H5     U  69           H5         U  69   6.745 -47.904  42.592
  754    H6     U  69           H6         U  69   8.575 -46.948  41.355
  755   1H5*    C  70          1H5*        C  70  14.877 -47.361  42.663
  756   2H5*    C  70          2H5*        C  70  15.640 -48.922  42.356
  757    H4*    C  70           H4*        C  70  15.890 -48.372  44.594
  758    H3*    C  70           H3*        C  70  13.935 -50.690  44.191
  759    H2*    C  70           H2*        C  70  13.705 -50.786  46.617
  760   2HO*    C  70          2HO*        C  70  15.086 -49.915  47.989
  761    H1*    C  70           H1*        C  70  13.792 -48.047  47.108
  762   1H4     C  70          1H4         C  70   7.640 -49.399  47.602
  763   2H4     C  70          2H4         C  70   7.445 -49.297  45.885
  764    H5     C  70           H5         C  70   9.297 -48.970  44.355
  765    H6     C  70           H6         C  70  11.728 -48.675  44.212
  766    H3T    C  70           H3T        C  70  16.007 -51.335  45.491
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   4.614 -51.598  53.889
    2   2H5*    G   1          2H5*        G   1   4.885 -52.291  52.272
    3    H4*    G   1           H4*        G   1   6.938 -51.694  54.358
    4    H3*    G   1           H3*        G   1   6.172 -50.050  51.916
    5    H2*    G   1           H2*        G   1   8.582 -49.578  51.614
    6   2HO*    G   1          2HO*        G   1  10.066 -49.995  53.088
    7    H1*    G   1           H1*        G   1   9.508 -52.104  51.978
    8    H8     G   1           H8         G   1   6.182 -52.516  50.157
    9    H1     G   1           H1         G   1  11.206 -51.180  46.406
   10   1H2     G   1          1H2         G   1  12.996 -50.608  47.657
   11   2H2     G   1          2H2         G   1  12.863 -50.586  49.366
   12    H5T    G   1           H5T        G   1   4.314 -53.881  53.838
   13   1H5*    A   2          1H5*        A   2   9.139 -47.835  53.873
   14   2H5*    A   2          2H5*        A   2   8.472 -46.206  53.967
   15    H4*    A   2           H4*        A   2  10.674 -46.245  53.080
   16    H3*    A   2           H3*        A   2   8.512 -45.228  51.170
   17    H2*    A   2           H2*        A   2  10.307 -44.833  49.543
   18   2HO*    A   2          2HO*        A   2  12.358 -44.713  50.039
   19    H1*    A   2           H1*        A   2  11.765 -47.126  50.052
   20    H8     A   2           H8         A   2   8.189 -48.302  49.914
   21   1H6     A   2          1H6         A   2   8.817 -48.422  43.778
   22   2H6     A   2          2H6         A   2   7.817 -48.867  45.118
   23    H2     A   2           H2         A   2  12.391 -46.335  45.516
   24   1H5*    C   3          1H5*        C   3  11.413 -42.413  50.774
   25   2H5*    C   3          2H5*        C   3  10.621 -40.840  50.858
   26    H4*    C   3           H4*        C   3  11.960 -41.083  48.920
   27    H3*    C   3           H3*        C   3   8.968 -40.727  48.402
   28    H2*    C   3           H2*        C   3   9.438 -40.842  46.029
   29   2HO*    C   3          2HO*        C   3  11.301 -40.396  45.157
   30    H1*    C   3           H1*        C   3  11.531 -42.703  46.139
   31   1H4     C   3          1H4         C   3   6.617 -45.959  43.827
   32   2H4     C   3          2H4         C   3   6.128 -46.381  45.433
   33    H5     C   3           H5         C   3   7.187 -45.489  47.422
   34    H6     C   3           H6         C   3   8.953 -43.990  48.232
   35   1H5*    G   4          1H5*        G   4  10.621 -37.235  46.245
   36   2H5*    G   4          2H5*        G   4   9.479 -35.968  46.692
   37    H4*    G   4           H4*        G   4   9.779 -36.122  44.347
   38    H3*    G   4           H3*        G   4   6.956 -36.756  45.337
   39    H2*    G   4           H2*        G   4   6.331 -37.044  42.973
   40   2HO*    G   4          2HO*        G   4   7.234 -35.448  41.972
   41    H1*    G   4           H1*        G   4   8.586 -38.407  42.173
   42    H8     G   4           H8         G   4   7.482 -39.770  45.579
   43    H1     G   4           H1         G   4   4.531 -42.337  40.498
   44   1H2     G   4          1H2         G   4   5.045 -41.189  38.624
   45   2H2     G   4          2H2         G   4   6.097 -39.838  38.718
   46   1H5*    G   5          1H5*        G   5   4.755 -32.070  42.815
   47   2H5*    G   5          2H5*        G   5   3.934 -33.282  43.799
   48    H4*    G   5           H4*        G   5   4.709 -33.412  40.927
   49    H3*    G   5           H3*        G   5   1.977 -33.151  42.221
   50    H2*    G   5           H2*        G   5   1.109 -34.674  40.485
   51   2HO*    G   5          2HO*        G   5   2.110 -35.126  38.702
   52    H1*    G   5           H1*        G   5   3.058 -36.554  40.586
   53    H8     G   5           H8         G   5   2.921 -35.661  44.217
   54    H1     G   5           H1         G   5  -2.004 -39.262  42.243
   55   1H2     G   5          1H2         G   5  -2.069 -39.344  39.989
   56   2H2     G   5          2H2         G   5  -0.885 -38.503  39.075
   57   1H5*    C   6          1H5*        C   6   0.748 -32.365  38.463
   58   2H5*    C   6          2H5*        C   6  -0.281 -30.937  38.562
   59    H4*    C   6           H4*        C   6  -1.395 -32.823  37.618
   60    H3*    C   6           H3*        C   6  -2.571 -31.740  40.222
   61    H2*    C   6           H2*        C   6  -4.320 -33.478  39.987
   62   2HO*    C   6          2HO*        C   6  -4.562 -34.673  38.192
   63    H1*    C   6           H1*        C   6  -2.668 -35.542  39.302
   64   1H4     C   6          1H4         C   6  -3.095 -36.204  45.569
   65   2H4     C   6          2H4         C   6  -1.786 -35.095  45.806
   66    H5     C   6           H5         C   6  -0.744 -33.864  43.998
   67    H6     C   6           H6         C   6  -0.783 -33.475  41.576
   68   1H5*    U   7          1H5*        U   7  -5.942 -30.831  38.007
   69   2H5*    U   7          2H5*        U   7  -6.251 -29.109  38.231
   70    H4*    U   7           H4*        U   7  -8.124 -30.370  38.850
   71    H3*    U   7           H3*        U   7  -6.769 -28.972  41.210
   72    H2*    U   7           H2*        U   7  -8.549 -29.902  42.623
   73   2HO*    U   7          2HO*        U   7 -10.378 -30.682  41.878
   74    H1*    U   7           H1*        U   7  -8.668 -32.401  41.454
   75    H3     U   7           H3         U   7  -7.039 -33.527  45.439
   76    H5     U   7           H5         U   7  -3.791 -31.671  43.545
   77    H6     U   7           H6         U   7  -5.260 -31.107  41.725
   78   1H5*    U   8          1H5*        U   8 -10.959 -28.104  41.302
   79   2H5*    U   8          2H5*        U   8 -11.124 -26.465  41.931
   80    H4*    U   8           H4*        U   8 -12.415 -28.188  43.068
   81    H3*    U   8           H3*        U   8 -10.509 -26.455  44.719
   82    H2*    U   8           H2*        U   8 -11.263 -27.686  46.687
   83   2HO*    U   8          2HO*        U   8 -13.048 -28.870  46.752
   84    H1*    U   8           H1*        U   8 -11.464 -30.193  45.504
   85    H3     U   8           H3         U   8  -8.254 -30.731  48.597
   86    H5     U   8           H5         U   8  -6.307 -28.879  45.378
   87    H6     U   8           H6         U   8  -8.454 -28.588  44.334
   88   1H5*    G   9          1H5*        G   9 -14.539 -26.564  46.443
   89   2H5*    G   9          2H5*        G   9 -14.814 -24.949  47.096
   90    H4*    G   9           H4*        G   9 -15.352 -26.751  48.619
   91    H3*    G   9           H3*        G   9 -13.304 -24.682  49.508
   92    H2*    G   9           H2*        G   9 -13.118 -25.944  51.628
   93   2HO*    G   9          2HO*        G   9 -14.485 -27.451  52.233
   94    H1*    G   9           H1*        G   9 -12.958 -28.438  50.561
   95    H8     G   9           H8         G   9 -11.058 -26.182  48.140
   96    H1     G   9           H1         G   9  -7.717 -28.142  53.249
   97   1H2     G   9          1H2         G   9  -9.076 -29.147  54.745
   98   2H2     G   9          2H2         G   9 -10.752 -29.287  54.406
   99   1H5*    C  10          1H5*        C  10 -15.628 -25.053  52.890
  100   2H5*    C  10          2H5*        C  10 -16.011 -23.401  53.369
  101    H4*    C  10           H4*        C  10 -15.097 -24.574  55.173
  102    H3*    C  10           H3*        C  10 -13.270 -22.355  54.130
  103    H2*    C  10           H2*        C  10 -11.720 -22.972  55.958
  104   2HO*    C  10          2HO*        C  10 -12.255 -24.194  57.603
  105    H1*    C  10           H1*        C  10 -11.891 -25.685  55.657
  106   1H4     C  10          1H4         C  10  -6.820 -24.295  52.164
  107   2H4     C  10          2H4         C  10  -7.817 -23.919  50.799
  108    H5     C  10           H5         C  10 -10.239 -23.890  50.892
  109    H6     C  10           H6         C  10 -12.176 -24.228  52.361
  110   1H5*    U  11          1H5*        U  11 -13.183 -21.712  58.147
  111   2H5*    U  11          2H5*        U  11 -13.319 -19.971  58.393
  112    H4*    U  11           H4*        U  11 -11.397 -20.826  59.446
  113    H3*    U  11           H3*        U  11 -10.805 -18.935  57.119
  114    H2*    U  11           H2*        U  11  -8.410 -19.242  57.671
  115   2HO*    U  11          2HO*        U  11  -7.714 -20.100  59.478
  116    H1*    U  11           H1*        U  11  -8.482 -21.950  58.023
  117    H3     U  11           H3         U  11  -6.321 -21.687  54.133
  118    H5     U  11           H5         U  11 -10.326 -21.010  53.097
  119    H6     U  11           H6         U  11 -10.858 -20.982  55.442
  120   1H5*    G  12          1H5*        G  12  -8.391 -17.903  60.360
  121   2H5*    G  12          2H5*        G  12  -8.424 -16.145  60.501
  122    H4*    G  12           H4*        G  12  -6.221 -17.192  60.503
  123    H3*    G  12           H3*        G  12  -6.864 -14.965  58.556
  124    H2*    G  12           H2*        G  12  -4.888 -15.298  57.351
  125   2HO*    G  12          2HO*        G  12  -3.013 -15.883  58.251
  126    H1*    G  12           H1*        G  12  -4.287 -17.983  58.287
  127    H8     G  12           H8         G  12  -7.242 -18.169  56.006
  128    H1     G  12           H1         G  12  -1.643 -17.680  52.920
  129   1H2     G  12          1H2         G  12   0.001 -17.104  54.355
  130   2H2     G  12          2H2         G  12  -0.364 -16.868  56.013
  131   1H5*    A  13          1H5*        A  13  -3.486 -13.971  60.575
  132   2H5*    A  13          2H5*        A  13  -3.273 -12.297  61.087
  133    H4*    A  13           H4*        A  13  -1.468 -13.163  59.739
  134    H3*    A  13           H3*        A  13  -2.904 -10.669  58.946
  135    H2*    A  13           H2*        A  13  -2.335 -10.784  56.714
  136   2HO*    A  13          2HO*        A  13  -0.156 -11.475  56.167
  137    H1*    A  13           H1*        A  13  -0.931 -13.407  56.857
  138    H8     A  13           H8         A  13  -4.704 -12.968  56.153
  139   1H6     A  13          1H6         A  13  -3.196 -14.222  50.304
  140   2H6     A  13          2H6         A  13  -4.494 -13.936  51.411
  141    H2     A  13           H2         A  13   0.589 -13.912  52.694
  142   1H5*    A  14          1H5*        A  14   1.962  -7.495  58.781
  143   2H5*    A  14          2H5*        A  14   0.545  -7.652  57.742
  144    H4*    A  14           H4*        A  14   3.094  -9.195  57.610
  145    H3*    A  14           H3*        A  14   3.009  -6.756  56.499
  146    H2*    A  14           H2*        A  14   0.899  -7.027  55.230
  147   2HO*    A  14          2HO*        A  14   2.266  -6.350  53.754
  148    H1*    A  14           H1*        A  14   1.928  -9.698  54.231
  149    H8     A  14           H8         A  14  -1.267  -8.735  56.245
  150   1H6     A  14          1H6         A  14  -4.296 -10.917  51.334
  151   2H6     A  14          2H6         A  14  -4.449 -10.248  52.922
  152    H2     A  14           H2         A  14   0.105 -11.134  50.481
  153   1H5*    G  15          1H5*        G  15   6.082  -6.315  52.249
  154   2H5*    G  15          2H5*        G  15   4.368  -6.465  52.638
  155    H4*    G  15           H4*        G  15   5.967  -8.668  51.487
  156    H3*    G  15           H3*        G  15   4.688  -6.426  49.848
  157    H2*    G  15           H2*        G  15   3.975  -8.102  48.249
  158   2HO*    G  15          2HO*        G  15   4.867 -10.014  48.034
  159    H1*    G  15           H1*        G  15   3.461 -10.173  50.065
  160    H8     G  15           H8         G  15   1.317  -7.935  51.805
  161    H1     G  15           H1         G  15  -0.808  -8.774  45.815
  162   1H2     G  15          1H2         G  15   0.811  -9.663  44.519
  163   2H2     G  15          2H2         G  15   2.347 -10.009  45.200
  164   1H5*    C  16          1H5*        C  16   7.947  -7.052  47.046
  165   2H5*    C  16          2H5*        C  16   8.460  -5.423  46.609
  166    H4*    C  16           H4*        C  16   7.653  -6.646  44.746
  167    H3*    C  16           H3*        C  16   6.014  -4.170  45.481
  168    H2*    C  16           H2*        C  16   4.602  -4.682  43.537
  169   2HO*    C  16          2HO*        C  16   5.172  -5.957  41.956
  170    H1*    C  16           H1*        C  16   4.514  -7.421  43.869
  171   1H4     C  16          1H4         C  16  -0.940  -5.516  46.427
  172   2H4     C  16          2H4         C  16  -0.160  -5.208  47.941
  173    H5     C  16           H5         C  16   2.236  -5.393  48.261
  174    H6     C  16           H6         C  16   4.357  -5.921  47.144
  175   1H5*    G  17          1H5*        G  17   6.817  -3.809  41.268
  176   2H5*    G  17          2H5*        G  17   7.033  -2.077  41.012
  177    H4*    G  17           H4*        G  17   5.380  -3.054  39.588
  178    H3*    G  17           H3*        G  17   4.402  -0.868  41.489
  179    H2*    G  17           H2*        G  17   2.182  -1.147  40.455
  180   2HO*    G  17          2HO*        G  17   1.844  -2.135  38.616
  181    H1*    G  17           H1*        G  17   2.189  -3.893  40.335
  182    H8     G  17           H8         G  17   3.657  -2.797  43.706
  183    H1     G  17           H1         G  17  -2.737  -3.212  43.479
  184   1H2     G  17          1H2         G  17  -3.432  -3.537  41.357
  185   2H2     G  17          2H2         G  17  -2.278  -3.637  40.092
  186   1H5*    C  18          1H5*        C  18   3.007   0.117  37.505
  187   2H5*    C  18          2H5*        C  18   3.073   1.878  37.433
  188    H4*    C  18           H4*        C  18   0.945   0.980  36.816
  189    H3*    C  18           H3*        C  18   0.975   2.831  39.248
  190    H2*    C  18           H2*        C  18  -1.476   2.532  39.331
  191   2HO*    C  18          2HO*        C  18  -2.630   1.817  37.741
  192    H1*    C  18           H1*        C  18  -1.514  -0.171  38.873
  193   1H4     C  18          1H4         C  18  -1.690  -0.020  45.171
  194   2H4     C  18          2H4         C  18   0.003   0.331  45.266
  195    H5     C  18           H5         C  18   1.390   0.711  43.315
  196    H6     C  18           H6         C  18   1.386   0.822  40.864
  197   1H5*    G  19          1H5*        G  19  -1.953   5.032  36.612
  198   2H5*    G  19          2H5*        G  19  -1.943   6.595  37.428
  199    H4*    G  19           H4*        G  19  -4.047   5.170  37.333
  200    H3*    G  19           H3*        G  19  -3.155   6.715  39.815
  201    H2*    G  19           H2*        G  19  -5.175   5.806  40.924
  202   2HO*    G  19          2HO*        G  19  -6.784   4.903  39.895
  203    H1*    G  19           H1*        G  19  -4.937   3.236  40.024
  204    H8     G  19           H8         G  19  -1.345   4.024  40.719
  205    H1     G  19           H1         G  19  -4.833   3.001  46.002
  206   1H2     G  19          1H2         G  19  -7.034   3.002  45.506
  207   2H2     G  19          2H2         G  19  -7.539   3.253  43.887
  208   1H5*    C  20          1H5*        C  20  -6.674   8.904  39.576
  209   2H5*    C  20          2H5*        C  20  -6.177  10.569  39.881
  210    H4*    C  20           H4*        C  20  -7.689   9.674  41.521
  211    H3*    C  20           H3*        C  20  -4.957  10.609  42.525
  212    H2*    C  20           H2*        C  20  -5.729  10.015  44.786
  213   2HO*    C  20          2HO*        C  20  -7.682  10.730  44.917
  214    H1*    C  20           H1*        C  20  -6.983   7.655  44.124
  215   1H4     C  20          1H4         C  20  -1.420   5.438  46.064
  216   2H4     C  20          2H4         C  20  -0.598   6.103  44.693
  217    H5     C  20           H5         C  20  -1.703   7.449  43.008
  218    H6     C  20           H6         C  20  -3.855   8.418  42.333
  219   1H5*    A  21          1H5*        A  21  -6.427  14.788  45.407
  220   2H5*    A  21          2H5*        A  21  -4.851  14.023  45.604
  221    H4*    A  21           H4*        A  21  -7.270  13.923  47.247
  222    H3*    A  21           H3*        A  21  -4.318  14.157  47.880
  223    H2*    A  21           H2*        A  21  -4.744  12.945  49.977
  224   2HO*    A  21          2HO*        A  21  -6.684  12.603  50.785
  225    H1*    A  21           H1*        A  21  -6.299  10.947  49.018
  226    H8     A  21           H8         A  21  -4.218  10.924  46.051
  227   1H6     A  21          1H6         A  21   0.329   8.410  49.376
  228   2H6     A  21          2H6         A  21  -0.247   8.759  47.782
  229    H2     A  21           H2         A  21  -2.769   9.998  52.208
  230   1H5*    C  22          1H5*        C  22  -5.658  14.884  51.533
  231   2H5*    C  22          2H5*        C  22  -5.267  16.583  51.799
  232    H4*    C  22           H4*        C  22  -4.639  15.243  53.657
  233    H3*    C  22           H3*        C  22  -2.367  16.630  52.197
  234    H2*    C  22           H2*        C  22  -0.814  15.547  53.783
  235   2HO*    C  22          2HO*        C  22  -1.411  14.628  55.586
  236    H1*    C  22           H1*        C  22  -1.842  13.042  53.697
  237   1H4     C  22          1H4         C  22   2.493  13.155  49.059
  238   2H4     C  22          2H4         C  22   1.205  13.200  47.902
  239    H5     C  22           H5         C  22  -1.124  13.469  48.519
  240    H6     C  22           H6         C  22  -2.658  13.749  50.413
  241   1H5*    G  23          1H5*        G  23  -1.647  17.245  56.138
  242   2H5*    G  23          2H5*        G  23  -1.374  18.963  56.427
  243    H4*    G  23           H4*        G  23   0.283  17.505  57.399
  244    H3*    G  23           H3*        G  23   1.260  19.608  55.406
  245    H2*    G  23           H2*        G  23   3.541  18.774  55.860
  246   2HO*    G  23          2HO*        G  23   4.060  17.593  57.517
  247    H1*    G  23           H1*        G  23   2.951  16.098  55.814
  248    H8     G  23           H8         G  23   0.885  16.907  52.911
  249    H1     G  23           H1         G  23   7.129  17.725  51.708
  250   1H2     G  23          1H2         G  23   8.308  17.754  53.633
  251   2H2     G  23          2H2         G  23   7.491  17.567  55.130
  252   1H5*    G  24          1H5*        G  24   3.597  20.787  58.549
  253   2H5*    G  24          2H5*        G  24   3.624  22.550  58.555
  254    H4*    G  24           H4*        G  24   5.785  21.529  58.284
  255    H3*    G  24           H3*        G  24   4.839  23.388  56.049
  256    H2*    G  24           H2*        G  24   7.022  22.972  54.969
  257   2HO*    G  24          2HO*        G  24   8.694  22.174  55.955
  258    H1*    G  24           H1*        G  24   7.122  20.269  55.417
  259    H8     G  24           H8         G  24   3.522  20.645  54.490
  260    H1     G  24           H1         G  24   7.519  21.128  49.500
  261   1H2     G  24          1H2         G  24   9.647  21.361  50.213
  262   2H2     G  24          2H2         G  24   9.980  21.385  51.895
  263   1H5*    C  25          1H5*        C  25   8.753  24.899  56.856
  264   2H5*    C  25          2H5*        C  25   8.488  26.641  56.895
  265    H4*    C  25           H4*        C  25  10.241  25.999  55.414
  266    H3*    C  25           H3*        C  25   7.845  27.385  54.116
  267    H2*    C  25           H2*        C  25   9.081  27.219  51.984
  268   2HO*    C  25          2HO*        C  25  11.146  26.797  51.840
  269    H1*    C  25           H1*        C  25   9.979  24.649  52.301
  270   1H4     C  25          1H4         C  25   4.729  23.857  48.876
  271   2H4     C  25          2H4         C  25   3.763  23.812  50.311
  272    H5     C  25           H5         C  25   4.656  24.223  52.527
  273    H6     C  25           H6         C  25   6.696  24.765  53.778
  274   1H5*    A  26          1H5*        A  26  11.423  29.277  52.602
  275   2H5*    A  26          2H5*        A  26  10.999  30.989  52.573
  276    H4*    A  26           H4*        A  26  11.890  30.196  50.501
  277    H3*    A  26           H3*        A  26   9.038  31.292  50.415
  278    H2*    A  26           H2*        A  26   9.103  30.860  47.978
  279   2HO*    A  26          2HO*        A  26  10.891  30.405  46.902
  280    H1*    A  26           H1*        A  26  10.248  28.381  48.096
  281    H8     A  26           H8         A  26   7.782  28.659  51.001
  282   1H6     A  26          1H6         A  26   3.545  26.604  47.015
  283   2H6     A  26          2H6         A  26   3.879  26.991  48.669
  284    H2     A  26           H2         A  26   7.318  27.456  44.740
  285   1H5*    A  27          1H5*        A  27  11.314  33.158  47.261
  286   2H5*    A  27          2H5*        A  27  10.518  34.695  46.923
  287    H4*    A  27           H4*        A  27  10.757  32.988  45.103
  288    H3*    A  27           H3*        A  27   8.127  34.466  45.611
  289    H2*    A  27           H2*        A  27   7.194  33.200  43.724
  290   2HO*    A  27          2HO*        A  27   8.321  32.405  42.200
  291    H1*    A  27           H1*        A  27   8.383  30.774  44.297
  292    H8     A  27           H8         A  27   7.167  31.958  47.646
  293   1H6     A  27          1H6         A  27   1.616  29.792  46.044
  294   2H6     A  27          2H6         A  27   2.585  30.415  47.335
  295    H2     A  27           H2         A  27   4.241  29.760  42.405
  296   1H5*    G  28          1H5*        G  28   7.478  36.661  40.936
  297   2H5*    G  28          2H5*        G  28   6.199  36.637  42.151
  298    H4*    G  28           H4*        G  28   6.694  34.904  39.830
  299    H3*    G  28           H3*        G  28   4.243  36.291  40.910
  300    H2*    G  28           H2*        G  28   2.896  34.385  40.188
  301   2HO*    G  28          2HO*        G  28   3.767  34.004  38.255
  302    H1*    G  28           H1*        G  28   4.424  32.335  41.072
  303    H8     G  28           H8         G  28   5.263  34.296  43.989
  304    H1     G  28           H1         G  28  -0.979  32.838  43.841
  305   1H2     G  28          1H2         G  28  -1.577  32.138  41.781
  306   2H2     G  28          2H2         G  28  -0.399  32.063  40.536
  307   1H5*    A  29          1H5*        A  29   3.160  37.563  36.747
  308   2H5*    A  29          2H5*        A  29   2.719  39.226  37.132
  309    H4*    A  29           H4*        A  29   0.928  37.737  36.345
  310    H3*    A  29           H3*        A  29   0.563  39.306  38.944
  311    H2*    A  29           H2*        A  29  -1.672  38.304  39.092
  312   2HO*    A  29          2HO*        A  29  -1.279  37.347  36.486
  313    H1*    A  29           H1*        A  29  -0.985  35.765  38.247
  314    H8     A  29           H8         A  29   1.786  35.990  40.540
  315   1H6     A  29          1H6         A  29  -2.142  35.641  45.285
  316   2H6     A  29          2H6         A  29  -0.487  35.532  44.793
  317    H2     A  29           H2         A  29  -4.498  36.547  41.575
  318   1H5*    G  30          1H5*        G  30  -2.466  40.265  37.163
  319   2H5*    G  30          2H5*        G  30  -2.624  41.895  36.509
  320    H4*    G  30           H4*        G  30  -4.162  42.521  37.984
  321    H3*    G  30           H3*        G  30  -2.615  41.673  40.076
  322    H2*    G  30           H2*        G  30  -3.291  39.329  40.083
  323   2HO*    G  30          2HO*        G  30  -4.869  39.069  41.586
  324    H1*    G  30           H1*        G  30  -6.148  40.197  39.483
  325    H8     G  30           H8         G  30  -4.200  37.984  37.048
  326    H1     G  30           H1         G  30  -8.299  34.924  40.912
  327   1H2     G  30          1H2         G  30  -9.088  36.326  42.495
  328   2H2     G  30          2H2         G  30  -8.563  37.958  42.520
  329   1H5*    G  31          1H5*        G  31  -5.868  44.705  43.408
  330   2H5*    G  31          2H5*        G  31  -4.568  43.523  43.265
  331    H4*    G  31           H4*        G  31  -6.488  42.796  41.402
  332    H3*    G  31           H3*        G  31  -7.960  44.126  43.461
  333    H2*    G  31           H2*        G  31  -8.081  42.321  44.982
  334   2HO*    G  31          2HO*        G  31  -9.569  41.200  42.886
  335    H1*    G  31           H1*        G  31  -7.606  40.300  42.746
  336    H8     G  31           H8         G  31  -4.854  40.624  45.279
  337    H1     G  31           H1         G  31  -9.200  36.105  46.619
  338   1H2     G  31          1H2         G  31 -11.002  36.320  45.277
  339   2H2     G  31          2H2         G  31 -11.044  37.575  44.108
  340   1H5*    C  32          1H5*        C  32 -12.234  43.319  40.980
  341   2H5*    C  32          2H5*        C  32 -12.801  44.684  41.943
  342    H4*    C  32           H4*        C  32 -13.952  42.421  42.056
  343    H3*    C  32           H3*        C  32 -13.413  44.172  44.505
  344    H2*    C  32           H2*        C  32 -14.487  42.396  45.840
  345   2HO*    C  32          2HO*        C  32 -15.718  40.898  45.042
  346    H1*    C  32           H1*        C  32 -13.311  40.254  44.591
  347   1H4     C  32          1H4         C  32  -9.411  40.982  49.481
  348   2H4     C  32          2H4         C  32  -8.734  42.428  48.811
  349    H5     C  32           H5         C  32  -9.525  43.433  46.752
  350    H6     C  32           H6         C  32 -11.154  43.212  44.930
  351   1H5*    G  33          1H5*        G  33 -17.522  43.078  45.111
  352   2H5*    G  33          2H5*        G  33 -18.169  44.505  45.921
  353    H4*    G  33           H4*        G  33 -18.358  42.427  47.160
  354    H3*    G  33           H3*        G  33 -16.894  44.764  48.481
  355    H2*    G  33           H2*        G  33 -16.628  43.302  50.453
  356   2HO*    G  33          2HO*        G  33 -17.722  41.516  50.762
  357    H1*    G  33           H1*        G  33 -15.956  41.010  49.102
  358    H8     G  33           H8         G  33 -14.088  43.764  47.284
  359    H1     G  33           H1         G  33 -11.323  41.793  52.722
  360   1H2     G  33          1H2         G  33 -12.728  40.465  53.886
  361   2H2     G  33          2H2         G  33 -14.288  40.126  53.260
  362   1H5*    U  34          1H5*        U  34 -19.805  43.112  51.301
  363   2H5*    U  34          2H5*        U  34 -20.419  44.538  52.137
  364    H4*    U  34           H4*        U  34 -19.687  42.793  53.611
  365    H3*    U  34           H3*        U  34 -18.251  45.482  53.853
  366    H2*    U  34           H2*        U  34 -16.966  44.465  55.706
  367   2HO*    U  34          2HO*        U  34 -17.502  42.646  56.662
  368    H1*    U  34           H1*        U  34 -16.471  42.056  54.506
  369    H3     U  34           H3         U  34 -12.404  43.865  54.342
  370    H5     U  34           H5         U  34 -14.495  45.853  51.300
  371    H6     U  34           H6         U  34 -16.495  44.740  52.039
  372   1H5*    C  35          1H5*        C  35 -18.940  44.518  57.886
  373   2H5*    C  35          2H5*        C  35 -19.763  45.966  58.466
  374    H4*    C  35           H4*        C  35 -18.044  45.490  59.920
  375    H3*    C  35           H3*        C  35 -17.378  47.937  58.208
  376    H2*    C  35           H2*        C  35 -15.282  48.098  59.462
  377   2HO*    C  35          2HO*        C  35 -14.923  47.119  61.325
  378    H1*    C  35           H1*        C  35 -14.745  45.382  59.626
  379   1H4     C  35          1H4         C  35 -10.972  47.237  54.918
  380   2H4     C  35          2H4         C  35 -12.286  47.194  53.791
  381    H5     C  35           H5         C  35 -14.576  46.733  54.439
  382    H6     C  35           H6         C  35 -16.038  46.220  56.342
  383    H3T    C  35           H3T        C  35 -17.566  48.456  60.675
  384   1H5*    G  36          1H5*        G  36  -0.584  47.718  57.996
  385   2H5*    G  36          2H5*        G  36  -1.840  48.410  56.941
  386    H4*    G  36           H4*        G  36  -1.997  47.940  59.885
  387    H3*    G  36           H3*        G  36  -3.132  46.240  57.623
  388    H2*    G  36           H2*        G  36  -5.112  45.873  59.061
  389   2HO*    G  36          2HO*        G  36  -5.178  46.363  61.135
  390    H1*    G  36           H1*        G  36  -5.443  48.447  59.884
  391    H8     G  36           H8         G  36  -4.338  48.730  56.253
  392    H1     G  36           H1         G  36 -10.567  47.469  57.101
  393   1H2     G  36          1H2         G  36 -10.982  46.955  59.259
  394   2H2     G  36          2H2         G  36  -9.695  46.951  60.392
  395    H5T    G  36           H5T        G  36  -0.322  49.982  57.666
  396   1H5*    A  37          1H5*        A  37  -4.063  44.121  61.106
  397   2H5*    A  37          2H5*        A  37  -3.494  42.487  60.763
  398    H4*    A  37           H4*        A  37  -5.709  42.484  61.563
  399    H3*    A  37           H3*        A  37  -5.421  41.543  58.665
  400    H2*    A  37           H2*        A  37  -7.839  41.146  58.679
  401   2HO*    A  37          2HO*        A  37  -9.006  40.955  60.429
  402    H1*    A  37           H1*        A  37  -8.569  43.389  60.128
  403    H8     A  37           H8         A  37  -6.078  44.660  57.607
  404   1H6     A  37          1H6         A  37 -10.756  44.872  53.591
  405   2H6     A  37          2H6         A  37  -9.113  45.321  53.889
  406    H2     A  37           H2         A  37 -12.138  42.658  57.242
  407   1H5*    C  38          1H5*        C  38  -7.802  38.644  60.320
  408   2H5*    C  38          2H5*        C  38  -7.160  37.096  59.768
  409    H4*    C  38           H4*        C  38  -9.480  37.354  59.319
  410    H3*    C  38           H3*        C  38  -7.680  37.054  56.867
  411    H2*    C  38           H2*        C  38  -9.655  37.211  55.481
  412   2HO*    C  38          2HO*        C  38 -11.602  36.738  56.118
  413    H1*    C  38           H1*        C  38 -11.098  39.024  57.064
  414   1H4     C  38          1H4         C  38  -9.204  42.439  52.082
  415   2H4     C  38          2H4         C  38  -7.719  42.817  52.888
  416    H5     C  38           H5         C  38  -7.076  41.847  55.013
  417    H6     C  38           H6         C  38  -7.774  40.297  56.783
  418   1H5*    G  39          1H5*        G  39 -10.415  33.481  56.340
  419   2H5*    G  39          2H5*        G  39  -9.221  32.314  55.772
  420    H4*    G  39           H4*        G  39 -11.147  32.514  54.354
  421    H3*    G  39           H3*        G  39  -8.438  33.167  53.094
  422    H2*    G  39           H2*        G  39  -9.654  33.536  50.985
  423   2HO*    G  39          2HO*        G  39 -11.028  31.992  50.816
  424    H1*    G  39           H1*        G  39 -11.805  34.885  52.048
  425    H8     G  39           H8         G  39  -8.618  36.164  53.742
  426    H1     G  39           H1         G  39 -10.054  38.928  48.138
  427   1H2     G  39          1H2         G  39 -11.744  37.828  47.125
  428   2H2     G  39          2H2         G  39 -12.441  36.458  47.887
  429   1H5*    G  40          1H5*        G  40  -8.821  28.615  49.587
  430   2H5*    G  40          2H5*        G  40  -7.478  29.749  49.727
  431    H4*    G  40           H4*        G  40 -10.024  30.010  48.212
  432    H3*    G  40           H3*        G  40  -7.155  29.744  47.258
  433    H2*    G  40           H2*        G  40  -7.704  31.335  45.453
  434   2HO*    G  40          2HO*        G  40  -9.649  31.825  44.863
  435    H1*    G  40           H1*        G  40  -9.021  33.183  46.933
  436    H8     G  40           H8         G  40  -6.430  32.172  49.434
  437    H1     G  40           H1         G  40  -4.182  35.910  44.734
  438   1H2     G  40          1H2         G  40  -5.690  36.069  43.063
  439   2H2     G  40          2H2         G  40  -7.186  35.241  43.189
  440   1H5*    C  41          1H5*        C  41  -8.900  29.096  43.547
  441   2H5*    C  41          2H5*        C  41  -8.014  27.703  42.924
  442    H4*    C  41           H4*        C  41  -7.916  29.666  41.522
  443    H3*    C  41           H3*        C  41  -5.272  28.513  42.525
  444    H2*    C  41           H2*        C  41  -4.159  30.296  41.216
  445   2HO*    C  41          2HO*        C  41  -5.225  31.569  39.814
  446    H1*    C  41           H1*        C  41  -5.796  32.349  41.962
  447   1H4     C  41          1H4         C  41  -1.126  32.759  46.195
  448   2H4     C  41          2H4         C  41  -1.923  31.623  47.231
  449    H5     C  41           H5         C  41  -3.951  30.451  46.604
  450    H6     C  41           H6         C  41  -5.609  30.162  44.819
  451   1H5*    U  42          1H5*        U  42  -4.374  27.647  38.542
  452   2H5*    U  42          2H5*        U  42  -4.020  25.920  38.508
  453    H4*    U  42           H4*        U  42  -2.221  27.194  37.674
  454    H3*    U  42           H3*        U  42  -1.607  25.691  40.267
  455    H2*    U  42           H2*        U  42   0.674  26.579  40.099
  456   2HO*    U  42          2HO*        U  42   1.501  27.418  38.325
  457    H1*    U  42           H1*        U  42   0.009  29.122  39.246
  458    H3     U  42           H3         U  42   1.615  30.086  43.283
  459    H5     U  42           H5         U  42  -2.086  28.294  44.105
  460    H6     U  42           H6         U  42  -2.294  27.804  41.759
  461   1H5*    U  43          1H5*        U  43   1.470  24.861  37.390
  462   2H5*    U  43          2H5*        U  43   2.006  23.207  37.685
  463    H4*    U  43           H4*        U  43   3.741  24.918  37.653
  464    H3*    U  43           H3*        U  43   3.504  23.107  40.105
  465    H2*    U  43           H2*        U  43   5.420  24.290  41.040
  466   2HO*    U  43          2HO*        U  43   6.766  25.498  39.886
  467    H1*    U  43           H1*        U  43   4.774  26.835  40.118
  468    H3     U  43           H3         U  43   4.644  27.240  44.590
  469    H5     U  43           H5         U  43   0.968  25.489  43.584
  470    H6     U  43           H6         U  43   1.777  25.247  41.332
  471   1H5*    G  44          1H5*        G  44   7.601  23.221  38.537
  472   2H5*    G  44          2H5*        G  44   8.234  21.591  38.764
  473    H4*    G  44           H4*        G  44   9.703  23.350  39.536
  474    H3*    G  44           H3*        G  44   8.827  21.232  41.538
  475    H2*    G  44           H2*        G  44  10.181  22.429  43.226
  476   2HO*    G  44          2HO*        G  44  11.600  23.937  42.755
  477    H1*    G  44           H1*        G  44   9.353  24.951  42.649
  478    H8     G  44           H8         G  44   6.272  22.759  42.154
  479    H1     G  44           H1         G  44   7.457  24.476  48.217
  480   1H2     G  44          1H2         G  44   9.491  25.440  48.381
  481   2H2     G  44          2H2         G  44  10.462  25.617  46.979
  482   1H5*    C  45          1H5*        C  45  12.844  21.552  42.373
  483   2H5*    C  45          2H5*        C  45  13.444  19.893  42.386
  484    H4*    C  45           H4*        C  45  14.054  20.982  44.361
  485    H3*    C  45           H3*        C  45  11.990  18.769  44.802
  486    H2*    C  45           H2*        C  45  12.159  19.292  47.215
  487   2HO*    C  45          2HO*        C  45  13.706  20.462  48.067
  488    H1*    C  45           H1*        C  45  12.115  22.018  46.983
  489   1H4     C  45          1H4         C  45   6.026  20.680  47.982
  490   2H4     C  45          2H4         C  45   5.780  20.370  46.297
  491    H5     C  45           H5         C  45   7.576  20.375  44.670
  492    H6     C  45           H6         C  45   9.992  20.687  44.376
  493   1H5*    U  46          1H5*        U  46  14.706  17.963  47.723
  494   2H5*    U  46          2H5*        U  46  14.934  16.214  47.739
  495    H4*    U  46           H4*        U  46  14.286  17.023  49.858
  496    H3*    U  46           H3*        U  46  12.237  15.185  48.525
  497    H2*    U  46           H2*        U  46  10.884  15.440  50.578
  498   2HO*    U  46          2HO*        U  46  11.630  16.219  52.401
  499    H1*    U  46           H1*        U  46  11.229  18.139  50.890
  500    H3     U  46           H3         U  46   6.956  17.983  49.622
  501    H5     U  46           H5         U  46   9.080  17.415  46.052
  502    H6     U  46           H6         U  46  11.102  17.308  47.351
  503   1H5*    G  47          1H5*        G  47  12.734  14.023  52.518
  504   2H5*    G  47          2H5*        G  47  12.848  12.263  52.529
  505    H4*    G  47           H4*        G  47  11.273  13.243  54.103
  506    H3*    G  47           H3*        G  47  10.347  11.122  52.148
  507    H2*    G  47           H2*        G  47   8.096  11.447  52.708
  508   2HO*    G  47          2HO*        G  47   7.408  11.960  54.687
  509    H1*    G  47           H1*        G  47   8.343  14.086  53.886
  510    H8     G  47           H8         G  47   8.897  14.413  50.207
  511    H1     G  47           H1         G  47   2.718  13.889  51.832
  512   1H2     G  47          1H2         G  47   2.520  13.227  53.981
  513   2H2     G  47          2H2         G  47   3.930  12.947  54.916
  514   1H5*    A  48          1H5*        A  48   9.299   9.970  55.892
  515   2H5*    A  48          2H5*        A  48   9.479   8.269  56.321
  516    H4*    A  48           H4*        A  48   7.259   9.169  56.663
  517    H3*    A  48           H3*        A  48   7.691   6.727  55.000
  518    H2*    A  48           H2*        A  48   5.728   6.920  53.804
  519   2HO*    A  48          2HO*        A  48   3.796   7.593  54.958
  520    H1*    A  48           H1*        A  48   4.865   9.513  54.990
  521    H8     A  48           H8         A  48   7.064   9.169  51.833
  522   1H6     A  48          1H6         A  48   1.913  10.609  48.758
  523   2H6     A  48          2H6         A  48   3.611  10.308  48.632
  524    H2     A  48           H2         A  48   0.872  10.138  53.098
  525   1H5*    A  49          1H5*        A  49   4.066   3.478  58.179
  526   2H5*    A  49          2H5*        A  49   4.346   3.704  56.453
  527    H4*    A  49           H4*        A  49   2.471   5.215  58.211
  528    H3*    A  49           H3*        A  49   1.704   2.820  57.278
  529    H2*    A  49           H2*        A  49   2.314   3.165  54.901
  530   2HO*    A  49          2HO*        A  49   0.282   2.529  54.811
  531    H1*    A  49           H1*        A  49   0.929   5.860  55.012
  532    H8     A  49           H8         A  49   4.598   4.860  54.158
  533   1H6     A  49          1H6         A  49   3.332   7.259  48.617
  534   2H6     A  49          2H6         A  49   4.546   6.534  49.613
  535    H2     A  49           H2         A  49  -0.390   7.454  51.117
  536   1H5*    G  50          1H5*        G  50  -3.455   2.430  56.487
  537   2H5*    G  50          2H5*        G  50  -1.991   2.615  55.522
  538    H4*    G  50           H4*        G  50  -3.977   4.769  55.923
  539    H3*    G  50           H3*        G  50  -4.166   2.593  53.783
  540    H2*    G  50           H2*        G  50  -4.849   4.309  52.209
  541   2HO*    G  50          2HO*        G  50  -5.682   6.179  52.759
  542    H1*    G  50           H1*        G  50  -3.254   6.387  53.192
  543    H8     G  50           H8         G  50  -0.471   4.178  52.840
  544    H1     G  50           H1         G  50  -3.170   5.261  47.127
  545   1H2     G  50          1H2         G  50  -5.236   6.131  47.382
  546   2H2     G  50          2H2         G  50  -5.853   6.405  48.959
  547   1H5*    C  51          1H5*        C  51  -8.438   3.280  53.994
  548   2H5*    C  51          2H5*        C  51  -9.136   1.661  53.956
  549    H4*    C  51           H4*        C  51  -9.850   3.002  52.134
  550    H3*    C  51           H3*        C  51  -8.218   0.531  51.371
  551    H2*    C  51           H2*        C  51  -8.571   1.175  49.027
  552   2HO*    C  51          2HO*        C  51 -10.061   2.519  48.375
  553    H1*    C  51           H1*        C  51  -8.220   3.894  49.346
  554   1H4     C  51          1H4         C  51  -2.583   1.972  47.229
  555   2H4     C  51          2H4         C  51  -2.078   1.581  48.838
  556    H5     C  51           H5         C  51  -3.551   1.707  50.760
  557    H6     C  51           H6         C  51  -5.832   2.246  51.483
  558   1H5*    G  52          1H5*        G  52 -11.720   0.397  48.904
  559   2H5*    G  52          2H5*        G  52 -12.119  -1.317  48.798
  560    H4*    G  52           H4*        G  52 -11.900  -0.277  46.666
  561    H3*    G  52           H3*        G  52  -9.917  -2.527  47.257
  562    H2*    G  52           H2*        G  52  -9.049  -2.180  44.975
  563   2HO*    G  52          2HO*        G  52 -10.072  -1.112  43.466
  564    H1*    G  52           H1*        G  52  -9.070   0.567  45.004
  565    H8     G  52           H8         G  52  -7.807  -0.702  48.398
  566    H1     G  52           H1         G  52  -3.361  -0.185  43.807
  567   1H2     G  52          1H2         G  52  -4.330   0.248  41.816
  568   2H2     G  52          2H2         G  52  -6.036   0.392  41.715
  569   1H5*    C  53          1H5*        C  53 -11.691  -3.313  43.406
  570   2H5*    C  53          2H5*        C  53 -11.847  -5.068  43.324
  571    H4*    C  53           H4*        C  53 -10.713  -4.136  41.443
  572    H3*    C  53           H3*        C  53  -9.095  -6.091  43.148
  573    H2*    C  53           H2*        C  53  -7.265  -5.780  41.520
  574   2HO*    C  53          2HO*        C  53  -7.517  -4.993  39.599
  575    H1*    C  53           H1*        C  53  -7.492  -3.060  41.252
  576   1H4     C  53          1H4         C  53  -2.986  -3.461  45.640
  577   2H4     C  53          2H4         C  53  -4.142  -3.832  46.873
  578    H5     C  53           H5         C  53  -6.503  -4.146  46.428
  579    H6     C  53           H6         C  53  -8.210  -4.157  44.664
  580   1H5*    G  54          1H5*        G  54  -8.892  -8.202  39.163
  581   2H5*    G  54          2H5*        G  54  -8.346  -9.786  39.714
  582    H4*    G  54           H4*        G  54  -6.892  -8.320  38.219
  583    H3*    G  54           H3*        G  54  -5.817  -9.971  40.557
  584    H2*    G  54           H2*        G  54  -3.586  -9.072  39.977
  585   2HO*    G  54          2HO*        G  54  -3.135  -8.114  38.149
  586    H1*    G  54           H1*        G  54  -4.350  -6.475  39.583
  587    H8     G  54           H8         G  54  -6.433  -7.332  42.571
  588    H1     G  54           H1         G  54  -0.228  -6.442  43.922
  589   1H2     G  54          1H2         G  54   0.994  -6.397  42.025
  590   2H2     G  54          2H2         G  54   0.214  -6.589  40.509
  591   1H5*    C  55          1H5*        C  55  -3.586 -12.045  37.813
  592   2H5*    C  55          2H5*        C  55  -3.697 -13.750  38.247
  593    H4*    C  55           H4*        C  55  -1.483 -12.869  38.411
  594    H3*    C  55           H3*        C  55  -2.705 -13.933  41.004
  595    H2*    C  55           H2*        C  55  -0.564 -13.390  42.087
  596   2HO*    C  55          2HO*        C  55   0.901 -14.058  40.753
  597    H1*    C  55           H1*        C  55  -0.136 -10.971  40.837
  598   1H4     C  55          1H4         C  55  -2.663  -8.985  46.250
  599   2H4     C  55          2H4         C  55  -4.217  -9.631  45.843
  600    H5     C  55           H5         C  55  -4.642 -10.890  43.816
  601    H6     C  55           H6         C  55  -3.610 -11.771  41.770
  602   1H5*    A  56          1H5*        A  56   0.248 -18.157  41.923
  603   2H5*    A  56          2H5*        A  56  -0.723 -17.375  43.171
  604    H4*    A  56           H4*        A  56   2.162 -17.330  42.651
  605    H3*    A  56           H3*        A  56   0.498 -17.635  45.162
  606    H2*    A  56           H2*        A  56   2.293 -16.501  46.403
  607   2HO*    A  56          2HO*        A  56   4.249 -16.166  45.634
  608    H1*    A  56           H1*        A  56   2.760 -14.443  44.708
  609    H8     A  56           H8         A  56  -0.803 -14.337  44.061
  610   1H6     A  56          1H6         A  56  -1.665 -12.027  49.716
  611   2H6     A  56          2H6         A  56  -2.380 -12.304  48.165
  612    H2     A  56           H2         A  56   2.504 -13.675  49.491
  613   1H5*    C  57          1H5*        C  57   4.097 -18.512  46.787
  614   2H5*    C  57          2H5*        C  57   3.917 -20.216  47.204
  615    H4*    C  57           H4*        C  57   4.848 -18.938  48.995
  616    H3*    C  57           H3*        C  57   2.185 -20.293  49.529
  617    H2*    C  57           H2*        C  57   2.227 -19.281  51.780
  618   2HO*    C  57          2HO*        C  57   3.940 -18.415  52.659
  619    H1*    C  57           H1*        C  57   2.938 -16.763  51.073
  620   1H4     C  57          1H4         C  57  -3.409 -16.760  50.852
  621   2H4     C  57          2H4         C  57  -3.313 -16.744  49.123
  622    H5     C  57           H5         C  57  -1.233 -17.004  47.905
  623    H6     C  57           H6         C  57   1.186 -17.336  48.151
  624   1H5*    G  58          1H5*        G  58   4.409 -21.051  52.817
  625   2H5*    G  58          2H5*        G  58   4.395 -22.784  53.148
  626    H4*    G  58           H4*        G  58   3.898 -21.390  55.053
  627    H3*    G  58           H3*        G  58   1.790 -23.445  54.226
  628    H2*    G  58           H2*        G  58   0.476 -22.672  56.170
  629   2HO*    G  58          2HO*        G  58   1.268 -21.553  57.763
  630    H1*    G  58           H1*        G  58   0.896 -19.985  55.831
  631    H8     G  58           H8         G  58   0.344 -20.670  52.279
  632    H1     G  58           H1         G  58  -4.984 -21.513  55.745
  633   1H2     G  58          1H2         G  58  -4.486 -21.618  57.944
  634   2H2     G  58          2H2         G  58  -2.854 -21.472  58.453
  635   1H5*    G  59          1H5*        G  59   2.278 -24.737  58.056
  636   2H5*    G  59          2H5*        G  59   2.253 -26.501  58.042
  637    H4*    G  59           H4*        G  59   0.518 -25.507  59.372
  638    H3*    G  59           H3*        G  59  -0.374 -27.288  57.052
  639    H2*    G  59           H2*        G  59  -2.688 -26.872  57.802
  640   2HO*    G  59          2HO*        G  59  -3.201 -26.136  59.699
  641    H1*    G  59           H1*        G  59  -2.422 -24.185  58.286
  642    H8     G  59           H8         G  59  -0.491 -24.480  55.100
  643    H1     G  59           H1         G  59  -6.841 -24.860  54.297
  644   1H2     G  59          1H2         G  59  -7.873 -25.146  56.284
  645   2H2     G  59          2H2         G  59  -6.939 -25.227  57.720
  646   1H5*    C  60          1H5*        C  60  -2.625 -28.902  60.329
  647   2H5*    C  60          2H5*        C  60  -2.432 -30.640  60.096
  648    H4*    C  60           H4*        C  60  -4.712 -29.966  60.299
  649    H3*    C  60           H3*        C  60  -3.932 -31.272  57.646
  650    H2*    C  60           H2*        C  60  -6.305 -31.046  56.999
  651   2HO*    C  60          2HO*        C  60  -7.872 -30.641  58.359
  652    H1*    C  60           H1*        C  60  -6.683 -28.499  57.936
  653   1H4     C  60          1H4         C  60  -5.301 -27.529  51.848
  654   2H4     C  60          2H4         C  60  -3.606 -27.519  52.202
  655    H5     C  60           H5         C  60  -2.707 -28.015  54.398
  656    H6     C  60           H6         C  60  -3.302 -28.624  56.699
  657   1H5*    A  61          1H5*        A  61  -7.587 -33.141  58.990
  658   2H5*    A  61          2H5*        A  61  -7.333 -34.845  58.614
  659    H4*    A  61           H4*        A  61  -9.400 -33.984  57.774
  660    H3*    A  61           H3*        A  61  -7.431 -35.046  55.692
  661    H2*    A  61           H2*        A  61  -9.166 -34.524  54.003
  662   2HO*    A  61          2HO*        A  61 -11.189 -34.032  54.497
  663    H1*    A  61           H1*        A  61  -9.857 -32.063  54.967
  664    H8     A  61           H8         A  61  -6.070 -32.434  55.328
  665   1H6     A  61          1H6         A  61  -5.752 -30.177  49.596
  666   2H6     A  61          2H6         A  61  -4.851 -30.635  50.999
  667    H2     A  61           H2         A  61 -10.063 -30.970  50.556
  668   1H5*    A  62          1H5*        A  62 -11.308 -36.797  54.951
  669   2H5*    A  62          2H5*        A  62 -11.008 -38.310  54.096
  670    H4*    A  62           H4*        A  62 -12.411 -36.533  53.023
  671    H3*    A  62           H3*        A  62 -10.200 -37.997  51.498
  672    H2*    A  62           H2*        A  62 -10.820 -36.642  49.546
  673   2HO*    A  62          2HO*        A  62 -12.673 -35.796  49.271
  674    H1*    A  62           H1*        A  62 -11.221 -34.256  50.877
  675    H8     A  62           H8         A  62  -8.043 -35.558  52.392
  676   1H6     A  62          1H6         A  62  -5.125 -33.287  47.454
  677   2H6     A  62          2H6         A  62  -4.936 -33.965  49.034
  678    H2     A  62           H2         A  62  -9.540 -33.140  46.667
  679   1H5*    G  63          1H5*        G  63 -12.982 -40.028  47.621
  680   2H5*    G  63          2H5*        G  63 -11.218 -40.022  47.614
  681    H4*    G  63           H4*        G  63 -13.164 -38.228  46.334
  682    H3*    G  63           H3*        G  63 -10.665 -39.616  45.372
  683    H2*    G  63           H2*        G  63 -10.175 -37.673  43.972
  684   2HO*    G  63          2HO*        G  63 -12.139 -37.247  43.196
  685    H1*    G  63           H1*        G  63 -10.640 -35.669  45.730
  686    H8     G  63           H8         G  63  -9.238 -37.724  48.352
  687    H1     G  63           H1         G  63  -4.836 -36.185  43.952
  688   1H2     G  63          1H2         G  63  -5.829 -35.420  42.076
  689   2H2     G  63          2H2         G  63  -7.540 -35.323  42.001
  690   1H5*    A  64          1H5*        A  64 -12.863 -40.712  41.661
  691   2H5*    A  64          2H5*        A  64 -12.356 -42.395  41.508
  692    H4*    A  64           H4*        A  64 -11.566 -40.854  39.785
  693    H3*    A  64           H3*        A  64  -9.522 -42.538  41.318
  694    H2*    A  64           H2*        A  64  -7.798 -41.508  39.910
  695   2HO*    A  64          2HO*        A  64  -9.880 -40.450  38.356
  696    H1*    A  64           H1*        A  64  -8.834 -38.944  39.885
  697    H8     A  64           H8         A  64  -9.205 -39.309  43.452
  698   1H6     A  64          1H6         A  64  -3.073 -39.086  44.089
  699   2H6     A  64          2H6         A  64  -4.596 -38.986  44.905
  700    H2     A  64           H2         A  64  -4.010 -39.798  39.758
  701   1H5*    G  65          1H5*        G  65  -8.575 -43.336  37.894
  702   2H5*    G  65          2H5*        G  65  -8.973 -44.926  37.243
  703    H4*    G  65           H4*        G  65  -6.863 -45.622  37.191
  704    H3*    G  65           H3*        G  65  -6.466 -44.897  39.796
  705    H2*    G  65           H2*        G  65  -5.940 -42.540  39.424
  706   2HO*    G  65          2HO*        G  65  -3.761 -42.318  39.416
  707    H1*    G  65           H1*        G  65  -4.330 -43.335  36.964
  708    H8     G  65           H8         G  65  -7.386 -41.060  36.660
  709    H1     G  65           H1         G  65  -1.710 -38.083  36.727
  710   1H2     G  65          1H2         G  65  -0.063 -39.531  37.261
  711   2H2     G  65          2H2         G  65  -0.448 -41.173  37.575
  712   1H5*    G  66          1H5*        G  66  -1.824 -47.940  39.858
  713   2H5*    G  66          2H5*        G  66  -2.855 -46.787  40.703
  714    H4*    G  66           H4*        G  66  -2.775 -45.939  38.074
  715    H3*    G  66           H3*        G  66  -0.300 -47.331  38.434
  716    H2*    G  66           H2*        G  66   0.890 -45.590  39.499
  717   2HO*    G  66          2HO*        G  66   0.475 -44.353  37.017
  718    H1*    G  66           H1*        G  66  -0.996 -43.485  38.350
  719    H8     G  66           H8         G  66  -1.155 -43.974  42.068
  720    H1     G  66           H1         G  66   2.936 -39.429  40.145
  721   1H2     G  66          1H2         G  66   3.258 -39.549  37.914
  722   2H2     G  66          2H2         G  66   2.442 -40.750  37.003
  723   1H5*    C  67          1H5*        C  67   1.038 -46.467  33.684
  724   2H5*    C  67          2H5*        C  67   2.092 -47.846  33.998
  725    H4*    C  67           H4*        C  67   3.019 -45.571  33.293
  726    H3*    C  67           H3*        C  67   4.325 -47.390  35.375
  727    H2*    C  67           H2*        C  67   6.055 -45.642  35.611
  728   2HO*    C  67          2HO*        C  67   6.390 -44.119  34.215
  729    H1*    C  67           H1*        C  67   4.369 -43.480  35.617
  730   1H4     C  67          1H4         C  67   4.987 -44.426  41.812
  731   2H4     C  67          2H4         C  67   4.012 -45.854  41.758
  732    H5     C  67           H5         C  67   3.123 -46.777  39.700
  733    H6     C  67           H6         C  67   3.017 -46.473  37.267
  734   1H5*    G  68          1H5*        G  68   7.780 -46.319  32.951
  735   2H5*    G  68          2H5*        G  68   8.753 -47.780  33.128
  736    H4*    G  68           H4*        G  68   9.756 -45.682  33.903
  737    H3*    G  68           H3*        G  68   9.617 -48.071  35.807
  738    H2*    G  68           H2*        G  68  10.789 -46.655  37.452
  739   2HO*    G  68          2HO*        G  68  11.800 -44.860  36.967
  740    H1*    G  68           H1*        G  68   9.377 -44.344  36.997
  741    H8     G  68           H8         G  68   6.739 -47.057  36.924
  742    H1     G  68           H1         G  68   8.597 -45.311  42.807
  743   1H2     G  68          1H2         G  68  10.439 -44.012  42.700
  744   2H2     G  68          2H2         G  68  11.123 -43.635  41.173
  745   1H5*    U  69          1H5*        U  69  13.661 -46.407  35.861
  746   2H5*    U  69          2H5*        U  69  14.691 -47.834  35.970
  747    H4*    U  69           H4*        U  69  15.212 -46.155  37.594
  748    H3*    U  69           H3*        U  69  14.339 -48.874  38.687
  749    H2*    U  69           H2*        U  69  14.732 -47.932  40.941
  750   2HO*    U  69          2HO*        U  69  15.801 -46.135  41.304
  751    H1*    U  69           H1*        U  69  13.553 -45.499  40.511
  752    H3     U  69           H3         U  69  10.521 -47.365  43.184
  753    H5     U  69           H5         U  69   9.878 -49.252  39.496
  754    H6     U  69           H6         U  69  11.829 -48.123  38.655
  755   1H5*    C  70          1H5*        C  70  17.713 -48.087  41.098
  756   2H5*    C  70          2H5*        C  70  18.652 -49.563  40.875
  757    H4*    C  70           H4*        C  70  18.442 -49.134  43.138
  758    H3*    C  70           H3*        C  70  16.778 -51.551  42.275
  759    H2*    C  70           H2*        C  70  16.094 -51.801  44.593
  760   2HO*    C  70          2HO*        C  70  17.134 -50.949  46.254
  761    H1*    C  70           H1*        C  70  15.940 -49.087  45.238
  762   1H4     C  70          1H4         C  70   9.883 -50.788  44.645
  763   2H4     C  70          2H4         C  70   9.964 -50.602  42.925
  764    H5     C  70           H5         C  70  12.018 -50.093  41.740
  765    H6     C  70           H6         C  70  14.417 -49.664  42.016
  766    H3T    C  70           H3T        C  70  18.618 -52.128  43.919
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   4.939 -48.400  55.038
    2   2H5*    G   1          2H5*        G   1   5.172 -49.149  53.439
    3    H4*    G   1           H4*        G   1   7.232 -48.715  55.561
    4    H3*    G   1           H3*        G   1   6.684 -47.052  53.071
    5    H2*    G   1           H2*        G   1   9.136 -46.825  52.821
    6   2HO*    G   1          2HO*        G   1  10.536 -47.353  54.344
    7    H1*    G   1           H1*        G   1   9.799 -49.421  53.258
    8    H8     G   1           H8         G   1   6.538 -49.713  51.361
    9    H1     G   1           H1         G   1  11.658 -48.482  47.703
   10   1H2     G   1          1H2         G   1  13.429 -47.929  48.986
   11   2H2     G   1          2H2         G   1  13.262 -47.893  50.693
   12    H5T    G   1           H5T        G   1   4.416 -50.643  55.020
   13   1H5*    A   2          1H5*        A   2   9.815 -45.067  55.036
   14   2H5*    A   2          2H5*        A   2   9.250 -43.399  55.128
   15    H4*    A   2           H4*        A   2  11.445 -43.528  54.277
   16    H3*    A   2           H3*        A   2   9.376 -42.483  52.283
   17    H2*    A   2           H2*        A   2  11.240 -42.195  50.698
   18   2HO*    A   2          2HO*        A   2  13.271 -42.147  51.256
   19    H1*    A   2           H1*        A   2  12.546 -44.552  51.255
   20    H8     A   2           H8         A   2   8.919 -45.556  51.164
   21   1H6     A   2          1H6         A   2   9.488 -45.813  45.027
   22   2H6     A   2          2H6         A   2   8.480 -46.188  46.383
   23    H2     A   2           H2         A   2  13.168 -43.864  46.698
   24   1H5*    C   3          1H5*        C   3  12.466 -39.742  52.018
   25   2H5*    C   3          2H5*        C   3  11.713 -38.147  51.972
   26    H4*    C   3           H4*        C   3  13.219 -38.538  50.167
   27    H3*    C   3           H3*        C   3  10.306 -38.020  49.397
   28    H2*    C   3           H2*        C   3  10.973 -38.225  47.069
   29   2HO*    C   3          2HO*        C   3  12.970 -38.002  46.369
   30    H1*    C   3           H1*        C   3  12.882 -40.236  47.396
   31   1H4     C   3          1H4         C   3   7.905 -43.217  44.868
   32   2H4     C   3          2H4         C   3   7.245 -43.491  46.444
   33    H5     C   3           H5         C   3   8.211 -42.568  48.467
   34    H6     C   3           H6         C   3  10.034 -41.181  49.345
   35   1H5*    G   4          1H5*        G   4  11.728 -34.270  47.379
   36   2H5*    G   4          2H5*        G   4  10.414 -33.239  47.945
   37    H4*    G   4           H4*        G   4  10.576 -33.285  45.583
   38    H3*    G   4           H3*        G   4   7.984 -34.433  46.730
   39    H2*    G   4           H2*        G   4   7.251 -34.828  44.444
   40   2HO*    G   4          2HO*        G   4   8.043 -33.835  42.745
   41    H1*    G   4           H1*        G   4   9.727 -35.542  43.371
   42    H8     G   4           H8         G   4   9.025 -37.457  46.621
   43    H1     G   4           H1         G   4   6.619 -40.086  41.291
   44   1H2     G   4          1H2         G   4   6.835 -38.670  39.547
   45   2H2     G   4          2H2         G   4   7.568 -37.139  39.783
   46   1H5*    G   5          1H5*        G   5   7.185 -31.457  43.700
   47   2H5*    G   5          2H5*        G   5   5.653 -30.678  44.094
   48    H4*    G   5           H4*        G   5   6.187 -31.947  41.837
   49    H3*    G   5           H3*        G   5   3.469 -31.487  43.137
   50    H2*    G   5           H2*        G   5   2.511 -32.904  41.347
   51   2HO*    G   5          2HO*        G   5   3.520 -33.401  39.572
   52    H1*    G   5           H1*        G   5   4.364 -34.893  41.430
   53    H8     G   5           H8         G   5   4.214 -34.310  45.080
   54    H1     G   5           H1         G   5  -1.095 -37.069  42.775
   55   1H2     G   5          1H2         G   5  -1.145 -36.926  40.523
   56   2H2     G   5          2H2         G   5   0.142 -36.153  39.694
   57   1H5*    C   6          1H5*        C   6   2.473 -30.873  39.273
   58   2H5*    C   6          2H5*        C   6   1.546 -29.374  39.228
   59    H4*    C   6           H4*        C   6   0.386 -31.205  38.245
   60    H3*    C   6           H3*        C   6  -0.937 -29.968  40.707
   61    H2*    C   6           H2*        C   6  -2.777 -31.588  40.348
   62   2HO*    C   6          2HO*        C   6  -2.968 -32.782  38.561
   63    H1*    C   6           H1*        C   6  -1.219 -33.777  39.855
   64   1H4     C   6          1H4         C   6  -2.263 -34.289  46.059
   65   2H4     C   6          2H4         C   6  -0.940 -33.227  46.408
   66    H5     C   6           H5         C   6   0.326 -32.076  44.690
   67    H6     C   6           H6         C   6   0.543 -31.741  42.269
   68   1H5*    U   7          1H5*        U   7  -4.244 -30.153  38.108
   69   2H5*    U   7          2H5*        U   7  -4.709 -28.454  38.028
   70    H4*    U   7           H4*        U   7  -6.610 -29.668  38.440
   71    H3*    U   7           H3*        U   7  -5.719 -28.194  40.966
   72    H2*    U   7           H2*        U   7  -7.716 -29.136  42.062
   73   2HO*    U   7          2HO*        U   7  -9.360 -29.962  41.022
   74    H1*    U   7           H1*        U   7  -7.540 -31.666  41.002
   75    H3     U   7           H3         U   7  -6.570 -32.425  45.297
   76    H5     U   7           H5         U   7  -3.028 -30.818  43.731
   77    H6     U   7           H6         U   7  -4.212 -30.380  41.682
   78   1H5*    U   8          1H5*        U   8  -9.807 -27.383  40.540
   79   2H5*    U   8          2H5*        U   8 -10.058 -25.717  41.059
   80    H4*    U   8           H4*        U   8 -11.422 -27.371  42.181
   81    H3*    U   8           H3*        U   8  -9.632 -25.584  43.899
   82    H2*    U   8           H2*        U   8 -10.492 -26.736  45.854
   83   2HO*    U   8          2HO*        U   8 -12.315 -27.870  45.876
   84    H1*    U   8           H1*        U   8 -10.732 -29.284  44.724
   85    H3     U   8           H3         U   8  -7.849 -29.801  48.143
   86    H5     U   8           H5         U   8  -5.524 -28.274  45.004
   87    H6     U   8           H6         U   8  -7.554 -27.915  43.765
   88   1H5*    G   9          1H5*        G   9 -13.830 -25.594  45.322
   89   2H5*    G   9          2H5*        G   9 -14.112 -23.935  45.850
   90    H4*    G   9           H4*        G   9 -14.843 -25.595  47.431
   91    H3*    G   9           H3*        G   9 -12.745 -23.595  48.371
   92    H2*    G   9           H2*        G   9 -12.814 -24.738  50.566
   93   2HO*    G   9          2HO*        G   9 -14.323 -26.125  51.131
   94    H1*    G   9           H1*        G   9 -12.739 -27.296  49.649
   95    H8     G   9           H8         G   9 -10.488 -25.269  47.318
   96    H1     G   9           H1         G   9  -7.735 -27.250  52.759
   97   1H2     G   9          1H2         G   9  -9.282 -28.108  54.159
   98   2H2     G   9          2H2         G   9 -10.929 -28.153  53.680
   99   1H5*    C  10          1H5*        C  10 -15.349 -23.711  51.573
  100   2H5*    C  10          2H5*        C  10 -15.697 -22.020  51.931
  101    H4*    C  10           H4*        C  10 -15.013 -23.120  53.872
  102    H3*    C  10           H3*        C  10 -12.971 -21.070  52.886
  103    H2*    C  10           H2*        C  10 -11.632 -21.655  54.882
  104   2HO*    C  10          2HO*        C  10 -12.392 -22.719  56.545
  105    H1*    C  10           H1*        C  10 -11.959 -24.370  54.736
  106   1H4     C  10          1H4         C  10  -6.477 -23.557  51.716
  107   2H4     C  10          2H4         C  10  -7.299 -23.165  50.244
  108    H5     C  10           H5         C  10  -9.708 -22.943  50.087
  109    H6     C  10           H6         C  10 -11.802 -23.062  51.360
  110   1H5*    U  11          1H5*        U  11 -13.252 -20.111  56.789
  111   2H5*    U  11          2H5*        U  11 -13.257 -18.353  56.929
  112    H4*    U  11           H4*        U  11 -11.500 -19.303  58.178
  113    H3*    U  11           H3*        U  11 -10.586 -17.586  55.823
  114    H2*    U  11           H2*        U  11  -8.269 -18.056  56.563
  115   2HO*    U  11          2HO*        U  11  -7.771 -18.853  58.456
  116    H1*    U  11           H1*        U  11  -8.582 -20.728  57.019
  117    H3     U  11           H3         U  11  -6.167 -20.801  53.270
  118    H5     U  11           H5         U  11 -10.043 -19.901  51.947
  119    H6     U  11           H6         U  11 -10.715 -19.721  54.249
  120   1H5*    G  12          1H5*        G  12  -8.345 -16.543  59.181
  121   2H5*    G  12          2H5*        G  12  -8.219 -14.784  59.210
  122    H4*    G  12           H4*        G  12  -6.126 -15.988  59.433
  123    H3*    G  12           H3*        G  12  -6.437 -13.936  57.220
  124    H2*    G  12           H2*        G  12  -4.372 -14.535  56.267
  125   2HO*    G  12          2HO*        G  12  -2.668 -15.137  57.390
  126    H1*    G  12           H1*        G  12  -4.147 -17.181  57.403
  127    H8     G  12           H8         G  12  -6.967 -17.439  55.035
  128    H1     G  12           H1         G  12  -1.282 -17.150  52.084
  129   1H2     G  12          1H2         G  12   0.321 -16.480  53.524
  130   2H2     G  12          2H2         G  12  -0.091 -16.137  55.153
  131   1H5*    A  13          1H5*        A  13  -4.054 -12.702  60.525
  132   2H5*    A  13          2H5*        A  13  -3.756 -11.036  61.018
  133    H4*    A  13           H4*        A  13  -1.975 -12.011  59.721
  134    H3*    A  13           H3*        A  13  -3.267  -9.467  58.852
  135    H2*    A  13           H2*        A  13  -2.693  -9.671  56.626
  136   2HO*    A  13          2HO*        A  13  -0.223 -10.639  57.547
  137    H1*    A  13           H1*        A  13  -1.393 -12.343  56.861
  138    H8     A  13           H8         A  13  -5.119 -11.698  56.043
  139   1H6     A  13          1H6         A  13  -3.553 -13.314  50.299
  140   2H6     A  13          2H6         A  13  -4.856 -12.888  51.355
  141    H2     A  13           H2         A  13   0.180 -13.168  52.784
  142   1H5*    A  14          1H5*        A  14   1.845  -6.655  58.695
  143   2H5*    A  14          2H5*        A  14   0.506  -6.783  57.554
  144    H4*    A  14           H4*        A  14   2.961  -8.472  57.697
  145    H3*    A  14           H3*        A  14   3.093  -6.090  56.466
  146    H2*    A  14           H2*        A  14   1.085  -6.329  55.034
  147   2HO*    A  14          2HO*        A  14   2.501  -5.804  53.593
  148    H1*    A  14           H1*        A  14   2.046  -9.103  54.276
  149    H8     A  14           H8         A  14  -1.253  -7.896  55.957
  150   1H6     A  14          1H6         A  14  -3.960 -10.140  50.887
  151   2H6     A  14          2H6         A  14  -4.214  -9.398  52.430
  152    H2     A  14           H2         A  14   0.481 -10.591  50.427
  153   1H5*    G  15          1H5*        G  15   6.338  -5.871  52.450
  154   2H5*    G  15          2H5*        G  15   4.576  -5.930  52.420
  155    H4*    G  15           H4*        G  15   6.495  -7.901  51.289
  156    H3*    G  15           H3*        G  15   4.821  -5.793  49.847
  157    H2*    G  15           H2*        G  15   4.553  -7.453  48.026
  158   2HO*    G  15          2HO*        G  15   5.716  -9.228  47.863
  159    H1*    G  15           H1*        G  15   4.018  -9.616  49.598
  160    H8     G  15           H8         G  15   2.004  -7.337  51.620
  161    H1     G  15           H1         G  15  -0.505  -8.212  45.785
  162   1H2     G  15          1H2         G  15   1.013  -9.154  44.406
  163   2H2     G  15          2H2         G  15   2.580  -9.525  44.997
  164   1H5*    C  16          1H5*        C  16   7.857  -5.885  46.938
  165   2H5*    C  16          2H5*        C  16   8.243  -4.201  46.582
  166    H4*    C  16           H4*        C  16   7.508  -5.387  44.664
  167    H3*    C  16           H3*        C  16   5.702  -3.078  45.537
  168    H2*    C  16           H2*        C  16   4.309  -3.597  43.572
  169   2HO*    C  16          2HO*        C  16   4.957  -4.749  41.933
  170    H1*    C  16           H1*        C  16   4.390  -6.338  43.793
  171   1H4     C  16          1H4         C  16  -1.088  -4.819  46.563
  172   2H4     C  16          2H4         C  16  -0.291  -4.626  48.088
  173    H5     C  16           H5         C  16   2.115  -4.760  48.353
  174    H6     C  16           H6         C  16   4.230  -5.113  47.161
  175   1H5*    G  17          1H5*        G  17   6.353  -2.490  41.329
  176   2H5*    G  17          2H5*        G  17   6.479  -0.738  41.160
  177    H4*    G  17           H4*        G  17   4.846  -1.678  39.715
  178    H3*    G  17           H3*        G  17   3.770   0.266  41.817
  179    H2*    G  17           H2*        G  17   1.549  -0.076  40.803
  180   2HO*    G  17          2HO*        G  17   1.236  -0.919  38.889
  181    H1*    G  17           H1*        G  17   1.737  -2.793  40.447
  182    H8     G  17           H8         G  17   3.197  -1.805  43.866
  183    H1     G  17           H1         G  17  -3.124  -2.872  43.736
  184   1H2     G  17          1H2         G  17  -3.838  -3.128  41.610
  185   2H2     G  17          2H2         G  17  -2.713  -3.025  40.320
  186   1H5*    C  18          1H5*        C  18   2.246   1.557  37.927
  187   2H5*    C  18          2H5*        C  18   2.159   3.313  38.063
  188    H4*    C  18           H4*        C  18   0.107   2.290  37.366
  189    H3*    C  18           H3*        C  18   0.025   3.886  39.972
  190    H2*    C  18           H2*        C  18  -2.387   3.367  40.055
  191   2HO*    C  18          2HO*        C  18  -2.997   3.679  38.049
  192    H1*    C  18           H1*        C  18  -2.206   0.735  39.306
  193   1H4     C  18          1H4         C  18  -2.318   0.187  45.583
  194   2H4     C  18          2H4         C  18  -0.667   0.692  45.714
  195    H5     C  18           H5         C  18   0.655   1.411  43.814
  196    H6     C  18           H6         C  18   0.612   1.781  41.389
  197   1H5*    G  19          1H5*        G  19  -2.656   6.508  37.704
  198   2H5*    G  19          2H5*        G  19  -2.641   7.985  38.669
  199    H4*    G  19           H4*        G  19  -4.735   6.620  38.545
  200    H3*    G  19           H3*        G  19  -3.653   7.681  41.201
  201    H2*    G  19           H2*        G  19  -5.608   6.614  42.266
  202   2HO*    G  19          2HO*        G  19  -7.327   5.986  41.222
  203    H1*    G  19           H1*        G  19  -5.540   4.264  40.852
  204    H8     G  19           H8         G  19  -1.896   4.915  41.580
  205    H1     G  19           H1         G  19  -5.203   2.588  46.556
  206   1H2     G  19          1H2         G  19  -7.419   2.652  46.131
  207   2H2     G  19          2H2         G  19  -7.977   3.268  44.631
  208   1H5*    C  20          1H5*        C  20  -6.902  10.421  40.775
  209   2H5*    C  20          2H5*        C  20  -6.612  11.788  41.851
  210    H4*    C  20           H4*        C  20  -8.148   9.889  42.521
  211    H3*    C  20           H3*        C  20  -6.149  11.202  44.422
  212    H2*    C  20           H2*        C  20  -6.795   9.626  46.121
  213   2HO*    C  20          2HO*        C  20  -8.684   8.777  46.272
  214    H1*    C  20           H1*        C  20  -7.381   7.439  44.436
  215   1H4     C  20          1H4         C  20  -2.086   5.467  47.214
  216   2H4     C  20          2H4         C  20  -1.142   6.689  46.432
  217    H5     C  20           H5         C  20  -2.098   8.389  44.993
  218    H6     C  20           H6         C  20  -4.193   9.231  44.031
  219   1H5*    A  21          1H5*        A  21  -7.278  14.863  46.333
  220   2H5*    A  21          2H5*        A  21  -5.580  14.453  46.569
  221    H4*    A  21           H4*        A  21  -7.788  14.439  48.396
  222    H3*    A  21           H3*        A  21  -4.793  14.596  48.714
  223    H2*    A  21           H2*        A  21  -5.017  13.585  50.930
  224   2HO*    A  21          2HO*        A  21  -7.798  13.833  50.635
  225    H1*    A  21           H1*        A  21  -6.734  11.570  50.379
  226    H8     A  21           H8         A  21  -4.901  11.459  47.172
  227   1H6     A  21          1H6         A  21  -0.371   8.519  50.156
  228   2H6     A  21          2H6         A  21  -1.005   8.966  48.609
  229    H2     A  21           H2         A  21  -3.197  10.210  53.206
  230   1H5*    C  22          1H5*        C  22  -5.687  15.465  52.465
  231   2H5*    C  22          2H5*        C  22  -5.080  17.110  52.658
  232    H4*    C  22           H4*        C  22  -4.313  15.690  54.387
  233    H3*    C  22           H3*        C  22  -2.128  16.787  52.560
  234    H2*    C  22           H2*        C  22  -0.510  15.574  53.989
  235   2HO*    C  22          2HO*        C  22  -0.961  14.816  55.898
  236    H1*    C  22           H1*        C  22  -1.886  13.229  54.169
  237   1H4     C  22          1H4         C  22   1.988  12.465  49.196
  238   2H4     C  22          2H4         C  22   0.640  12.718  48.138
  239    H5     C  22           H5         C  22  -1.548  13.407  48.920
  240    H6     C  22           H6         C  22  -2.855  13.988  50.914
  241   1H5*    G  23          1H5*        G  23  -0.970  17.395  56.502
  242   2H5*    G  23          2H5*        G  23  -0.362  19.042  56.665
  243    H4*    G  23           H4*        G  23   1.053  17.309  57.612
  244    H3*    G  23           H3*        G  23   2.249  19.194  55.533
  245    H2*    G  23           H2*        G  23   4.380  17.969  55.843
  246   2HO*    G  23          2HO*        G  23   4.419  17.734  57.969
  247    H1*    G  23           H1*        G  23   3.350  15.448  55.801
  248    H8     G  23           H8         G  23   1.163  16.459  53.119
  249    H1     G  23           H1         G  23   7.309  16.847  51.339
  250   1H2     G  23          1H2         G  23   8.659  16.788  53.146
  251   2H2     G  23          2H2         G  23   7.975  16.652  54.713
  252   1H5*    G  24          1H5*        G  24   4.724  20.600  58.583
  253   2H5*    G  24          2H5*        G  24   4.821  22.347  58.362
  254    H4*    G  24           H4*        G  24   6.908  21.158  58.063
  255    H3*    G  24           H3*        G  24   5.892  22.860  55.736
  256    H2*    G  24           H2*        G  24   7.964  22.208  54.547
  257   2HO*    G  24          2HO*        G  24   9.648  21.368  55.487
  258    H1*    G  24           H1*        G  24   7.917  19.555  55.201
  259    H8     G  24           H8         G  24   4.279  20.035  54.591
  260    H1     G  24           H1         G  24   7.774  20.067  49.216
  261   1H2     G  24          1H2         G  24   9.969  20.264  49.703
  262   2H2     G  24          2H2         G  24  10.468  20.377  51.340
  263   1H5*    C  25          1H5*        C  25   9.891  24.219  56.093
  264   2H5*    C  25          2H5*        C  25   9.730  25.974  56.015
  265    H4*    C  25           H4*        C  25  11.312  25.125  54.454
  266    H3*    C  25           H3*        C  25   8.887  26.534  53.241
  267    H2*    C  25           H2*        C  25   9.935  26.128  51.036
  268   2HO*    C  25          2HO*        C  25  11.958  25.573  50.774
  269    H1*    C  25           H1*        C  25  10.700  23.541  51.485
  270   1H4     C  25          1H4         C  25   5.098  22.876  48.629
  271   2H4     C  25          2H4         C  25   4.286  22.930  50.158
  272    H5     C  25           H5         C  25   5.422  23.390  52.249
  273    H6     C  25           H6         C  25   7.601  23.893  53.259
  274   1H5*    A  26          1H5*        A  26  12.388  28.096  51.265
  275   2H5*    A  26          2H5*        A  26  12.045  29.821  51.139
  276    H4*    A  26           H4*        A  26  12.692  28.827  49.062
  277    H3*    A  26           H3*        A  26   9.902  30.071  49.155
  278    H2*    A  26           H2*        A  26   9.708  29.453  46.764
  279   2HO*    A  26          2HO*        A  26  11.352  28.865  45.559
  280    H1*    A  26           H1*        A  26  10.735  26.930  46.975
  281    H8     A  26           H8         A  26   8.594  27.531  50.074
  282   1H6     A  26          1H6         A  26   3.868  25.497  46.670
  283   2H6     A  26          2H6         A  26   4.390  25.960  48.254
  284    H2     A  26           H2         A  26   7.426  25.997  43.979
  285   1H5*    A  27          1H5*        A  27  11.836  31.476  45.654
  286   2H5*    A  27          2H5*        A  27  11.197  33.088  45.331
  287    H4*    A  27           H4*        A  27  10.973  31.392  43.559
  288    H3*    A  27           H3*        A  27   8.524  32.980  44.476
  289    H2*    A  27           H2*        A  27   7.240  31.748  42.791
  290   2HO*    A  27          2HO*        A  27   8.073  30.837  41.116
  291    H1*    A  27           H1*        A  27   8.454  29.280  43.141
  292    H8     A  27           H8         A  27   7.746  30.521  46.628
  293   1H6     A  27          1H6         A  27   2.024  28.342  45.875
  294   2H6     A  27          2H6         A  27   3.167  28.987  47.003
  295    H2     A  27           H2         A  27   4.105  28.228  41.901
  296   1H5*    G  28          1H5*        G  28   6.522  35.771  41.165
  297   2H5*    G  28          2H5*        G  28   5.895  34.871  42.544
  298    H4*    G  28           H4*        G  28   5.817  34.142  39.649
  299    H3*    G  28           H3*        G  28   3.631  35.137  41.470
  300    H2*    G  28           H2*        G  28   2.141  33.433  40.552
  301   2HO*    G  28          2HO*        G  28   2.632  33.581  38.457
  302    H1*    G  28           H1*        G  28   3.763  31.271  40.591
  303    H8     G  28           H8         G  28   5.129  32.599  43.705
  304    H1     G  28           H1         G  28  -0.949  30.660  44.340
  305   1H2     G  28          1H2         G  28  -1.903  30.374  42.315
  306   2H2     G  28          2H2         G  28  -0.987  30.677  40.897
  307   1H5*    A  29          1H5*        A  29   2.815  37.459  37.554
  308   2H5*    A  29          2H5*        A  29   1.787  38.808  38.039
  309    H4*    A  29           H4*        A  29   0.890  36.573  36.937
  310    H3*    A  29           H3*        A  29  -0.449  38.744  38.000
  311    H2*    A  29           H2*        A  29  -0.832  37.856  40.224
  312   2HO*    A  29          2HO*        A  29  -2.808  37.073  40.319
  313    H1*    A  29           H1*        A  29  -1.217  35.080  39.024
  314    H8     A  29           H8         A  29   1.568  35.883  41.519
  315   1H6     A  29          1H6         A  29  -1.913  32.854  45.615
  316   2H6     A  29          2H6         A  29  -0.380  33.604  45.324
  317    H2     A  29           H2         A  29  -4.285  33.330  41.836
  318   1H5*    G  30          1H5*        G  30  -2.801  35.885  35.729
  319   2H5*    G  30          2H5*        G  30  -3.709  36.137  34.239
  320    H4*    G  30           H4*        G  30  -5.148  37.714  35.434
  321    H3*    G  30           H3*        G  30  -3.367  37.817  37.541
  322    H2*    G  30           H2*        G  30  -3.846  35.641  38.503
  323   2HO*    G  30          2HO*        G  30  -5.283  35.876  40.102
  324    H1*    G  30           H1*        G  30  -6.782  35.987  37.757
  325    H8     G  30           H8         G  30  -4.203  33.210  36.846
  326    H1     G  30           H1         G  30  -9.313  31.459  40.299
  327   1H2     G  30          1H2         G  30 -10.572  33.259  40.816
  328   2H2     G  30          2H2         G  30 -10.088  34.814  40.277
  329   1H5*    G  31          1H5*        G  31  -5.678  40.705  40.763
  330   2H5*    G  31          2H5*        G  31  -4.917  39.584  41.891
  331    H4*    G  31           H4*        G  31  -6.783  38.610  39.808
  332    H3*    G  31           H3*        G  31  -7.912  40.490  41.414
  333    H2*    G  31           H2*        G  31  -7.393  39.457  43.578
  334   2HO*    G  31          2HO*        G  31  -9.631  39.621  43.353
  335    H1*    G  31           H1*        G  31  -8.141  36.753  42.403
  336    H8     G  31           H8         G  31  -4.649  37.626  43.785
  337    H1     G  31           H1         G  31  -8.350  33.972  47.534
  338   1H2     G  31          1H2         G  31 -10.433  33.819  46.680
  339   2H2     G  31          2H2         G  31 -10.810  34.630  45.216
  340   1H5*    C  32          1H5*        C  32 -12.753  40.706  41.742
  341   2H5*    C  32          2H5*        C  32 -11.592  40.674  43.069
  342    H4*    C  32           H4*        C  32 -13.950  38.998  42.519
  343    H3*    C  32           H3*        C  32 -13.038  40.541  44.976
  344    H2*    C  32           H2*        C  32 -14.158  38.812  46.346
  345   2HO*    C  32          2HO*        C  32 -15.560  37.441  45.597
  346    H1*    C  32           H1*        C  32 -13.221  36.628  45.039
  347   1H4     C  32          1H4         C  32  -8.672  37.295  49.334
  348   2H4     C  32          2H4         C  32  -7.997  38.654  48.499
  349    H5     C  32           H5         C  32  -8.989  39.619  46.510
  350    H6     C  32           H6         C  32 -10.861  39.436  44.934
  351   1H5*    G  33          1H5*        G  33 -17.030  39.751  45.834
  352   2H5*    G  33          2H5*        G  33 -17.660  41.214  46.595
  353    H4*    G  33           H4*        G  33 -17.934  39.253  47.936
  354    H3*    G  33           H3*        G  33 -16.222  41.483  49.130
  355    H2*    G  33           H2*        G  33 -16.004  40.049  51.137
  356   2HO*    G  33          2HO*        G  33 -17.232  38.382  51.536
  357    H1*    G  33           H1*        G  33 -15.513  37.700  49.838
  358    H8     G  33           H8         G  33 -13.602  40.216  47.763
  359    H1     G  33           H1         G  33 -10.679  38.491  53.203
  360   1H2     G  33          1H2         G  33 -12.094  37.333  54.527
  361   2H2     G  33          2H2         G  33 -13.699  37.040  54.000
  362   1H5*    U  34          1H5*        U  34 -19.050  40.215  52.109
  363   2H5*    U  34          2H5*        U  34 -19.566  41.704  52.901
  364    H4*    U  34           H4*        U  34 -18.856  40.003  54.429
  365    H3*    U  34           H3*        U  34 -17.272  42.618  54.475
  366    H2*    U  34           H2*        U  34 -15.960  41.618  56.324
  367   2HO*    U  34          2HO*        U  34 -16.553  39.883  57.390
  368    H1*    U  34           H1*        U  34 -15.627  39.145  55.214
  369    H3     U  34           H3         U  34 -11.508  40.794  54.788
  370    H5     U  34           H5         U  34 -13.654  42.665  51.711
  371    H6     U  34           H6         U  34 -15.659  41.677  52.599
  372   1H5*    C  35          1H5*        C  35 -17.990  42.096  58.606
  373   2H5*    C  35          2H5*        C  35 -18.662  43.663  59.058
  374    H4*    C  35           H4*        C  35 -16.927  43.128  60.499
  375    H3*    C  35           H3*        C  35 -16.189  45.424  58.616
  376    H2*    C  35           H2*        C  35 -14.036  45.529  59.780
  377   2HO*    C  35          2HO*        C  35 -13.663  44.642  61.687
  378    H1*    C  35           H1*        C  35 -13.650  42.803  60.082
  379   1H4     C  35          1H4         C  35 -10.001  44.202  55.120
  380   2H4     C  35          2H4         C  35 -11.355  44.093  54.048
  381    H5     C  35           H5         C  35 -13.629  43.743  54.813
  382    H6     C  35           H6         C  35 -15.030  43.427  56.803
  383    H3T    C  35           H3T        C  35 -16.243  46.099  61.052
  384   1H5*    G  36          1H5*        G  36   0.433  44.601  57.640
  385   2H5*    G  36          2H5*        G  36  -0.872  45.289  56.644
  386    H4*    G  36           H4*        G  36  -0.802  45.029  59.619
  387    H3*    G  36           H3*        G  36  -2.194  43.242  57.585
  388    H2*    G  36           H2*        G  36  -4.084  43.098  59.177
  389   2HO*    G  36          2HO*        G  36  -3.972  43.738  61.209
  390    H1*    G  36           H1*        G  36  -4.237  45.734  59.810
  391    H8     G  36           H8         G  36  -3.345  45.859  56.142
  392    H1     G  36           H1         G  36  -9.509  44.565  57.334
  393   1H2     G  36          1H2         G  36  -9.811  44.104  59.523
  394   2H2     G  36          2H2         G  36  -8.469  44.141  60.589
  395    H5T    G  36           H5T        G  36   0.780  46.819  57.126
  396   1H5*    A  37          1H5*        A  37  -2.999  41.409  61.256
  397   2H5*    A  37          2H5*        A  37  -2.489  39.741  60.994
  398    H4*    A  37           H4*        A  37  -4.645  39.824  61.918
  399    H3*    A  37           H3*        A  37  -4.571  38.742  59.058
  400    H2*    A  37           H2*        A  37  -7.002  38.402  59.264
  401   2HO*    A  37          2HO*        A  37  -8.042  38.359  61.097
  402    H1*    A  37           H1*        A  37  -7.582  40.763  60.552
  403    H8     A  37           H8         A  37  -5.114  41.796  57.908
  404   1H6     A  37          1H6         A  37  -9.865  41.883  53.973
  405   2H6     A  37          2H6         A  37  -8.203  42.303  54.213
  406    H2     A  37           H2         A  37 -11.231  39.943  57.783
  407   1H5*    C  38          1H5*        C  38  -6.906  35.999  61.120
  408   2H5*    C  38          2H5*        C  38  -6.383  34.404  60.578
  409    H4*    C  38           H4*        C  38  -8.738  34.764  60.380
  410    H3*    C  38           H3*        C  38  -7.229  34.191  57.783
  411    H2*    C  38           H2*        C  38  -9.359  34.337  56.616
  412   2HO*    C  38          2HO*        C  38 -11.256  34.120  57.554
  413    H1*    C  38           H1*        C  38 -10.485  36.386  58.141
  414   1H4     C  38          1H4         C  38  -8.788  39.211  52.737
  415   2H4     C  38          2H4         C  38  -7.214  39.534  53.382
  416    H5     C  38           H5         C  38  -6.461  38.695  55.528
  417    H6     C  38           H6         C  38  -7.113  37.361  57.480
  418   1H5*    G  39          1H5*        G  39  -9.652  30.404  57.462
  419   2H5*    G  39          2H5*        G  39  -8.312  29.385  56.939
  420    H4*    G  39           H4*        G  39 -10.119  29.376  55.404
  421    H3*    G  39           H3*        G  39  -7.497  30.529  54.329
  422    H2*    G  39           H2*        G  39  -8.628  30.854  52.194
  423   2HO*    G  39          2HO*        G  39 -10.391  29.834  51.607
  424    H1*    G  39           H1*        G  39 -11.119  31.592  53.197
  425    H8     G  39           H8         G  39  -8.298  33.531  54.936
  426    H1     G  39           H1         G  39 -10.437  36.077  49.455
  427   1H2     G  39          1H2         G  39 -11.843  34.649  48.416
  428   2H2     G  39          2H2         G  39 -12.188  33.129  49.130
  429   1H5*    G  40          1H5*        G  40  -9.071  27.483  51.709
  430   2H5*    G  40          2H5*        G  40  -7.711  26.694  50.908
  431    H4*    G  40           H4*        G  40  -9.707  27.918  49.679
  432    H3*    G  40           H3*        G  40  -6.872  27.456  48.662
  433    H2*    G  40           H2*        G  40  -7.484  28.827  46.695
  434   2HO*    G  40          2HO*        G  40  -9.460  29.303  46.158
  435    H1*    G  40           H1*        G  40  -8.733  30.841  48.027
  436    H8     G  40           H8         G  40  -6.033  30.317  50.501
  437    H1     G  40           H1         G  40  -3.945  32.977  45.053
  438   1H2     G  40          1H2         G  40  -5.510  32.795  43.436
  439   2H2     G  40          2H2         G  40  -7.002  32.024  43.782
  440   1H5*    C  41          1H5*        C  41  -8.919  26.762  45.245
  441   2H5*    C  41          2H5*        C  41  -8.286  25.250  44.593
  442    H4*    C  41           H4*        C  41  -8.178  27.049  43.034
  443    H3*    C  41           H3*        C  41  -5.492  25.841  43.856
  444    H2*    C  41           H2*        C  41  -4.458  27.430  42.261
  445   2HO*    C  41          2HO*        C  41  -5.597  28.586  40.839
  446    H1*    C  41           H1*        C  41  -5.916  29.630  42.970
  447   1H4     C  41          1H4         C  41  -0.782  30.251  46.590
  448   2H4     C  41          2H4         C  41  -1.455  29.203  47.792
  449    H5     C  41           H5         C  41  -3.557  28.030  47.503
  450    H6     C  41           H6         C  41  -5.426  27.651  45.959
  451   1H5*    U  42          1H5*        U  42  -5.008  25.858  39.651
  452   2H5*    U  42          2H5*        U  42  -4.694  24.149  39.346
  453    H4*    U  42           H4*        U  42  -3.080  25.372  38.255
  454    H3*    U  42           H3*        U  42  -1.915  23.980  40.716
  455    H2*    U  42           H2*        U  42   0.260  24.938  40.068
  456   2HO*    U  42          2HO*        U  42   0.691  25.708  38.151
  457    H1*    U  42           H1*        U  42  -0.650  27.436  39.359
  458    H3     U  42           H3         U  42   1.688  28.333  43.061
  459    H5     U  42           H5         U  42  -1.914  26.741  44.500
  460    H6     U  42           H6         U  42  -2.514  26.223  42.228
  461   1H5*    U  43          1H5*        U  43   0.701  23.091  37.553
  462   2H5*    U  43          2H5*        U  43   1.264  21.439  37.807
  463    H4*    U  43           H4*        U  43   2.999  23.116  37.586
  464    H3*    U  43           H3*        U  43   2.964  21.403  40.118
  465    H2*    U  43           H2*        U  43   4.936  22.605  40.865
  466   2HO*    U  43          2HO*        U  43   6.240  23.699  39.568
  467    H1*    U  43           H1*        U  43   4.275  25.113  39.818
  468    H3     U  43           H3         U  43   4.640  25.744  44.265
  469    H5     U  43           H5         U  43   0.782  24.197  43.710
  470    H6     U  43           H6         U  43   1.354  23.778  41.412
  471   1H5*    G  44          1H5*        G  44   6.960  21.365  38.160
  472   2H5*    G  44          2H5*        G  44   7.532  19.714  38.399
  473    H4*    G  44           H4*        G  44   9.162  21.400  38.948
  474    H3*    G  44           H3*        G  44   8.338  19.467  41.152
  475    H2*    G  44           H2*        G  44   9.919  20.664  42.633
  476   2HO*    G  44          2HO*        G  44  11.382  22.043  41.934
  477    H1*    G  44           H1*        G  44   9.208  23.198  41.961
  478    H8     G  44           H8         G  44   5.982  21.148  41.915
  479    H1     G  44           H1         G  44   7.788  23.306  47.676
  480   1H2     G  44          1H2         G  44   9.868  24.177  47.576
  481   2H2     G  44          2H2         G  44  10.713  24.185  46.084
  482   1H5*    C  45          1H5*        C  45  12.460  19.627  41.628
  483   2H5*    C  45          2H5*        C  45  12.948  17.933  41.696
  484    H4*    C  45           H4*        C  45  13.812  19.098  43.530
  485    H3*    C  45           H3*        C  45  11.672  17.055  44.303
  486    H2*    C  45           H2*        C  45  12.099  17.708  46.650
  487   2HO*    C  45          2HO*        C  45  13.796  18.806  47.282
  488    H1*    C  45           H1*        C  45  12.214  20.413  46.244
  489   1H4     C  45          1H4         C  45   6.181  19.609  47.912
  490   2H4     C  45          2H4         C  45   5.750  19.162  46.297
  491    H5     C  45           H5         C  45   7.372  18.895  44.515
  492    H6     C  45           H6         C  45   9.762  19.016  43.969
  493   1H5*    U  46          1H5*        U  46  14.560  16.173  46.963
  494   2H5*    U  46          2H5*        U  46  14.675  14.417  47.072
  495    H4*    U  46           H4*        U  46  14.249  15.370  49.182
  496    H3*    U  46           H3*        U  46  11.974  13.640  48.107
  497    H2*    U  46           H2*        U  46  10.795  14.115  50.233
  498   2HO*    U  46          2HO*        U  46  11.734  14.953  51.943
  499    H1*    U  46           H1*        U  46  11.325  16.790  50.337
  500    H3     U  46           H3         U  46   6.996  16.839  49.269
  501    H5     U  46           H5         U  46   8.909  15.932  45.650
  502    H6     U  46           H6         U  46  10.980  15.766  46.864
  503   1H5*    G  47          1H5*        G  47  12.613  12.673  52.149
  504   2H5*    G  47          2H5*        G  47  12.571  10.913  52.243
  505    H4*    G  47           H4*        G  47  11.168  12.140  53.831
  506    H3*    G  47           H3*        G  47  10.010   9.946  52.097
  507    H2*    G  47           H2*        G  47   7.812  10.482  52.692
  508   2HO*    G  47          2HO*        G  47   7.236  11.180  54.660
  509    H1*    G  47           H1*        G  47   8.304  13.164  53.694
  510    H8     G  47           H8         G  47   8.677  13.258  49.988
  511    H1     G  47           H1         G  47   2.568  13.204  51.932
  512   1H2     G  47          1H2         G  47   2.440  12.664  54.120
  513   2H2     G  47          2H2         G  47   3.877  12.342  54.999
  514   1H5*    A  48          1H5*        A  48   8.756   9.176  55.933
  515   2H5*    A  48          2H5*        A  48   8.807   7.464  56.357
  516    H4*    A  48           H4*        A  48   6.654   8.566  56.661
  517    H3*    A  48           H3*        A  48   6.926   6.034  55.098
  518    H2*    A  48           H2*        A  48   4.978   6.313  53.889
  519   2HO*    A  48          2HO*        A  48   3.881   7.316  56.270
  520    H1*    A  48           H1*        A  48   4.310   9.015  54.936
  521    H8     A  48           H8         A  48   6.516   8.348  51.836
  522   1H6     A  48          1H6         A  48   1.534  10.024  48.609
  523   2H6     A  48          2H6         A  48   3.205   9.588  48.526
  524    H2     A  48           H2         A  48   0.404   9.854  52.949
  525   1H5*    A  49          1H5*        A  49   3.633   4.271  58.722
  526   2H5*    A  49          2H5*        A  49   3.076   3.038  57.591
  527    H4*    A  49           H4*        A  49   1.741   5.271  58.629
  528    H3*    A  49           H3*        A  49   0.746   2.892  57.903
  529    H2*    A  49           H2*        A  49   1.222   3.045  55.474
  530   2HO*    A  49          2HO*        A  49  -0.807   2.533  55.442
  531    H1*    A  49           H1*        A  49   0.023   5.829  55.489
  532    H8     A  49           H8         A  49   3.563   4.539  54.494
  533   1H6     A  49          1H6         A  49   2.102   6.651  48.884
  534   2H6     A  49          2H6         A  49   3.330   5.915  49.855
  535    H2     A  49           H2         A  49  -1.440   7.245  51.576
  536   1H5*    G  50          1H5*        G  50  -4.316   2.654  57.297
  537   2H5*    G  50          2H5*        G  50  -3.117   2.833  56.016
  538    H4*    G  50           H4*        G  50  -5.356   4.675  56.694
  539    H3*    G  50           H3*        G  50  -5.152   2.647  54.436
  540    H2*    G  50           H2*        G  50  -6.289   4.305  52.993
  541   2HO*    G  50          2HO*        G  50  -7.270   6.040  53.730
  542    H1*    G  50           H1*        G  50  -4.842   6.484  53.714
  543    H8     G  50           H8         G  50  -1.959   4.228  53.811
  544    H1     G  50           H1         G  50  -4.172   5.078  47.854
  545   1H2     G  50          1H2         G  50  -6.227   6.009  47.901
  546   2H2     G  50          2H2         G  50  -6.957   6.379  49.408
  547   1H5*    C  51          1H5*        C  51  -9.385   2.554  54.516
  548   2H5*    C  51          2H5*        C  51  -9.797   0.842  54.422
  549    H4*    C  51           H4*        C  51 -10.622   2.186  52.597
  550    H3*    C  51           H3*        C  51  -8.784  -0.158  51.898
  551    H2*    C  51           H2*        C  51  -9.106   0.447  49.544
  552   2HO*    C  51          2HO*        C  51 -10.693   1.644  48.830
  553    H1*    C  51           H1*        C  51  -9.029   3.195  49.861
  554   1H4     C  51          1H4         C  51  -3.220   1.811  47.790
  555   2H4     C  51          2H4         C  51  -2.692   1.478  49.405
  556    H5     C  51           H5         C  51  -4.187   1.468  51.313
  557    H6     C  51           H6         C  51  -6.515   1.786  52.016
  558   1H5*    G  52          1H5*        G  52 -12.295  -0.505  49.299
  559   2H5*    G  52          2H5*        G  52 -12.541  -2.251  49.231
  560    H4*    G  52           H4*        G  52 -12.438  -1.267  47.074
  561    H3*    G  52           H3*        G  52 -10.207  -3.261  47.705
  562    H2*    G  52           H2*        G  52  -9.402  -2.880  45.402
  563   2HO*    G  52          2HO*        G  52 -10.554  -1.952  43.883
  564    H1*    G  52           H1*        G  52  -9.718  -0.155  45.367
  565    H8     G  52           H8         G  52  -8.317  -1.381  48.753
  566    H1     G  52           H1         G  52  -3.978   0.011  44.241
  567   1H2     G  52          1H2         G  52  -4.996   0.432  42.271
  568   2H2     G  52          2H2         G  52  -6.705   0.351  42.165
  569   1H5*    C  53          1H5*        C  53 -11.961  -4.342  43.844
  570   2H5*    C  53          2H5*        C  53 -11.861  -6.103  43.818
  571    H4*    C  53           H4*        C  53 -10.911  -5.059  41.884
  572    H3*    C  53           H3*        C  53  -9.015  -6.748  43.587
  573    H2*    C  53           H2*        C  53  -7.274  -6.229  41.910
  574   2HO*    C  53          2HO*        C  53  -8.269  -6.442  40.068
  575    H1*    C  53           H1*        C  53  -7.859  -3.569  41.610
  576   1H4     C  53          1H4         C  53  -3.281  -3.266  45.928
  577   2H4     C  53          2H4         C  53  -4.340  -3.825  47.178
  578    H5     C  53           H5         C  53  -6.632  -4.503  46.772
  579    H6     C  53           H6         C  53  -8.349  -4.768  45.039
  580   1H5*    G  54          1H5*        G  54  -8.726  -9.228  39.825
  581   2H5*    G  54          2H5*        G  54  -8.096 -10.711  40.541
  582    H4*    G  54           H4*        G  54  -6.696  -9.451  38.890
  583    H3*    G  54           H3*        G  54  -5.550 -10.497  41.522
  584    H2*    G  54           H2*        G  54  -3.386  -9.536  40.794
  585   2HO*    G  54          2HO*        G  54  -2.971  -8.924  38.815
  586    H1*    G  54           H1*        G  54  -4.352  -7.144  39.899
  587    H8     G  54           H8         G  54  -6.389  -7.857  43.021
  588    H1     G  54           H1         G  54  -0.543  -5.462  44.115
  589   1H2     G  54          1H2         G  54   0.680  -5.469  42.219
  590   2H2     G  54          2H2         G  54  -0.010  -6.065  40.767
  591   1H5*    C  55          1H5*        C  55  -3.686 -13.994  39.413
  592   2H5*    C  55          2H5*        C  55  -3.476 -14.990  40.853
  593    H4*    C  55           H4*        C  55  -1.514 -13.774  39.754
  594    H3*    C  55           H3*        C  55  -1.896 -14.046  42.774
  595    H2*    C  55           H2*        C  55   0.198 -12.744  43.008
  596   2HO*    C  55          2HO*        C  55   1.513 -12.315  41.350
  597    H1*    C  55           H1*        C  55  -0.361 -10.848  41.122
  598   1H4     C  55          1H4         C  55  -2.490  -7.934  46.281
  599   2H4     C  55          2H4         C  55  -3.877  -8.965  46.370
  600    H5     C  55           H5         C  55  -4.251 -10.821  44.855
  601    H6     C  55           H6         C  55  -3.323 -12.038  42.936
  602   1H5*    A  56          1H5*        A  56   1.487 -14.736  42.482
  603   2H5*    A  56          2H5*        A  56   2.385 -15.941  41.559
  604    H4*    A  56           H4*        A  56   3.900 -16.076  43.083
  605    H3*    A  56           H3*        A  56   1.690 -16.951  44.947
  606    H2*    A  56           H2*        A  56   3.140 -16.389  46.843
  607   2HO*    A  56          2HO*        A  56   5.218 -16.136  46.712
  608    H1*    A  56           H1*        A  56   4.055 -13.976  46.032
  609    H8     A  56           H8         A  56   0.543 -13.961  44.674
  610   1H6     A  56          1H6         A  56  -1.218 -12.127  50.295
  611   2H6     A  56          2H6         A  56  -1.709 -12.361  48.652
  612    H2     A  56           H2         A  56   3.087 -13.378  50.511
  613   1H5*    C  57          1H5*        C  57   5.041 -18.936  46.792
  614   2H5*    C  57          2H5*        C  57   4.265 -20.414  47.362
  615    H4*    C  57           H4*        C  57   5.321 -18.881  49.025
  616    H3*    C  57           H3*        C  57   2.510 -20.007  49.446
  617    H2*    C  57           H2*        C  57   2.492 -18.770  51.589
  618   2HO*    C  57          2HO*        C  57   4.215 -17.995  52.519
  619    H1*    C  57           H1*        C  57   3.575 -16.438  50.653
  620   1H4     C  57          1H4         C  57  -2.703 -15.543  50.373
  621   2H4     C  57          2H4         C  57  -2.656 -15.869  48.673
  622    H5     C  57           H5         C  57  -0.668 -16.647  47.525
  623    H6     C  57           H6         C  57   1.689 -17.264  47.826
  624   1H5*    G  58          1H5*        G  58   4.582 -20.884  52.959
  625   2H5*    G  58          2H5*        G  58   4.212 -22.546  53.417
  626    H4*    G  58           H4*        G  58   3.917 -20.825  55.152
  627    H3*    G  58           H3*        G  58   1.665 -22.769  54.514
  628    H2*    G  58           H2*        G  58   0.324 -21.605  56.238
  629   2HO*    G  58          2HO*        G  58   1.786 -21.323  57.777
  630    H1*    G  58           H1*        G  58   0.895 -19.057  55.497
  631    H8     G  58           H8         G  58   0.705 -20.098  52.039
  632    H1     G  58           H1         G  58  -4.966 -20.713  54.968
  633   1H2     G  58          1H2         G  58  -4.711 -20.623  57.209
  634   2H2     G  58          2H2         G  58  -3.145 -20.412  57.877
  635   1H5*    G  59          1H5*        G  59   2.014 -24.205  58.439
  636   2H5*    G  59          2H5*        G  59   1.798 -25.948  58.284
  637    H4*    G  59           H4*        G  59   0.077 -24.746  59.538
  638    H3*    G  59           H3*        G  59  -0.759 -26.518  57.192
  639    H2*    G  59           H2*        G  59  -3.093 -25.906  57.752
  640   2HO*    G  59          2HO*        G  59  -3.680 -25.052  59.579
  641    H1*    G  59           H1*        G  59  -2.666 -23.235  58.140
  642    H8     G  59           H8         G  59  -0.458 -23.683  55.191
  643    H1     G  59           H1         G  59  -6.694 -23.993  53.735
  644   1H2     G  59          1H2         G  59  -7.932 -24.213  55.610
  645   2H2     G  59          2H2         G  59  -7.155 -24.271  57.137
  646   1H5*    C  60          1H5*        C  60  -3.343 -27.970  60.293
  647   2H5*    C  60          2H5*        C  60  -3.219 -29.718  60.095
  648    H4*    C  60           H4*        C  60  -5.473 -28.919  60.102
  649    H3*    C  60           H3*        C  60  -4.547 -30.336  57.557
  650    H2*    C  60           H2*        C  60  -6.850 -30.006  56.710
  651   2HO*    C  60          2HO*        C  60  -8.494 -29.484  57.928
  652    H1*    C  60           H1*        C  60  -7.151 -27.414  57.527
  653   1H4     C  60          1H4         C  60  -5.150 -26.786  51.563
  654   2H4     C  60          2H4         C  60  -3.502 -26.777  52.093
  655    H5     C  60           H5         C  60  -2.845 -27.178  54.392
  656    H6     C  60           H6         C  60  -3.688 -27.672  56.643
  657   1H5*    A  61          1H5*        A  61  -8.390 -32.006  58.641
  658   2H5*    A  61          2H5*        A  61  -8.197 -33.723  58.296
  659    H4*    A  61           H4*        A  61 -10.143 -32.729  57.292
  660    H3*    A  61           H3*        A  61  -8.105 -34.002  55.403
  661    H2*    A  61           H2*        A  61  -9.655 -33.407  53.566
  662   2HO*    A  61          2HO*        A  61 -11.670 -32.832  53.860
  663    H1*    A  61           H1*        A  61 -10.236 -30.873  54.409
  664    H8     A  61           H8         A  61  -6.529 -31.440  55.096
  665   1H6     A  61          1H6         A  61  -5.604 -29.524  49.305
  666   2H6     A  61          2H6         A  61  -4.851 -29.949  50.804
  667    H2     A  61           H2         A  61 -10.018 -30.043  49.925
  668   1H5*    A  62          1H5*        A  62 -11.922 -35.460  54.322
  669   2H5*    A  62          2H5*        A  62 -11.695 -37.086  53.677
  670    H4*    A  62           H4*        A  62 -12.791 -35.429  52.226
  671    H3*    A  62           H3*        A  62 -10.391 -37.015  51.183
  672    H2*    A  62           H2*        A  62 -10.676 -35.825  49.061
  673   2HO*    A  62          2HO*        A  62 -12.456 -34.933  48.441
  674    H1*    A  62           H1*        A  62 -11.319 -33.344  50.116
  675    H8     A  62           H8         A  62  -8.346 -34.523  52.113
  676   1H6     A  62          1H6         A  62  -4.839 -32.376  47.513
  677   2H6     A  62          2H6         A  62  -4.850 -32.997  49.128
  678    H2     A  62           H2         A  62  -9.118 -32.324  46.159
  679   1H5*    G  63          1H5*        G  63 -11.202 -39.881  47.499
  680   2H5*    G  63          2H5*        G  63  -9.822 -38.916  48.026
  681    H4*    G  63           H4*        G  63 -11.815 -38.293  45.888
  682    H3*    G  63           H3*        G  63  -8.968 -39.258  45.664
  683    H2*    G  63           H2*        G  63  -8.583 -37.599  43.912
  684   2HO*    G  63          2HO*        G  63 -10.407 -37.803  42.780
  685    H1*    G  63           H1*        G  63  -9.733 -35.419  45.025
  686    H8     G  63           H8         G  63  -8.481 -36.648  48.228
  687    H1     G  63           H1         G  63  -3.761 -34.737  44.333
  688   1H2     G  63          1H2         G  63  -4.522 -34.516  42.219
  689   2H2     G  63          2H2         G  63  -6.167 -34.851  41.872
  690   1H5*    A  64          1H5*        A  64 -11.139 -41.642  42.366
  691   2H5*    A  64          2H5*        A  64 -10.071 -42.991  41.979
  692    H4*    A  64           H4*        A  64 -10.236 -40.778  40.544
  693    H3*    A  64           H3*        A  64  -8.517 -42.934  40.367
  694    H2*    A  64           H2*        A  64  -6.676 -42.010  41.647
  695   2HO*    A  64          2HO*        A  64  -5.227 -41.232  40.298
  696    H1*    A  64           H1*        A  64  -7.288 -39.255  40.493
  697    H8     A  64           H8         A  64  -7.469 -40.001  44.238
  698   1H6     A  64          1H6         A  64  -2.130 -36.931  44.603
  699   2H6     A  64          2H6         A  64  -3.411 -37.675  45.497
  700    H2     A  64           H2         A  64  -3.138 -37.484  40.265
  701   1H5*    G  65          1H5*        G  65  -8.503 -40.118  37.066
  702   2H5*    G  65          2H5*        G  65  -8.921 -40.391  35.375
  703    H4*    G  65           H4*        G  65  -7.046 -41.955  35.208
  704    H3*    G  65           H3*        G  65  -6.799 -42.019  37.959
  705    H2*    G  65           H2*        G  65  -5.787 -39.835  38.263
  706   2HO*    G  65          2HO*        G  65  -3.638 -40.056  38.359
  707    H1*    G  65           H1*        G  65  -4.262 -40.204  35.650
  708    H8     G  65           H8         G  65  -6.733 -37.425  36.817
  709    H1     G  65           H1         G  65  -0.698 -35.656  35.572
  710   1H2     G  65          1H2         G  65   0.562 -37.457  35.057
  711   2H2     G  65          2H2         G  65  -0.152 -39.017  35.044
  712   1H5*    G  66          1H5*        G  66  -2.865 -44.870  38.628
  713   2H5*    G  66          2H5*        G  66  -2.607 -43.722  39.943
  714    H4*    G  66           H4*        G  66  -2.778 -42.800  37.133
  715    H3*    G  66           H3*        G  66  -0.831 -44.661  37.493
  716    H2*    G  66           H2*        G  66   0.330 -43.593  39.373
  717   2HO*    G  66          2HO*        G  66   1.757 -43.782  37.645
  718    H1*    G  66           H1*        G  66   0.015 -40.914  37.970
  719    H8     G  66           H8         G  66  -1.465 -41.745  41.433
  720    H1     G  66           H1         G  66   3.773 -38.048  41.399
  721   1H2     G  66          1H2         G  66   4.635 -37.919  39.318
  722   2H2     G  66          2H2         G  66   3.871 -38.755  38.030
  723   1H5*    C  67          1H5*        C  67   2.827 -44.897  34.306
  724   2H5*    C  67          2H5*        C  67   2.947 -44.829  36.064
  725    H4*    C  67           H4*        C  67   4.204 -43.180  33.973
  726    H3*    C  67           H3*        C  67   5.319 -44.666  36.381
  727    H2*    C  67           H2*        C  67   7.063 -42.915  36.516
  728   2HO*    C  67          2HO*        C  67   7.505 -41.570  34.967
  729    H1*    C  67           H1*        C  67   5.453 -40.753  36.213
  730   1H4     C  67          1H4         C  67   5.308 -41.287  42.481
  731   2H4     C  67          2H4         C  67   4.255 -42.659  42.404
  732    H5     C  67           H5         C  67   3.549 -43.676  40.319
  733    H6     C  67           H6         C  67   3.745 -43.544  37.877
  734   1H5*    G  68          1H5*        G  68   8.729 -43.886  34.141
  735   2H5*    G  68          2H5*        G  68   9.732 -45.331  34.263
  736    H4*    G  68           H4*        G  68  10.844 -43.335  34.974
  737    H3*    G  68           H3*        G  68  10.525 -45.535  37.069
  738    H2*    G  68           H2*        G  68  11.778 -44.052  38.608
  739   2HO*    G  68          2HO*        G  68  12.899 -42.380  37.983
  740    H1*    G  68           H1*        G  68  10.473 -41.734  37.997
  741    H8     G  68           H8         G  68   7.681 -44.274  37.959
  742    H1     G  68           H1         G  68   9.520 -42.452  43.824
  743   1H2     G  68          1H2         G  68  11.447 -41.282  43.720
  744   2H2     G  68          2H2         G  68  12.190 -41.005  42.198
  745   1H5*    U  69          1H5*        U  69  14.606 -44.209  37.132
  746   2H5*    U  69          2H5*        U  69  15.559 -45.675  37.362
  747    H4*    U  69           H4*        U  69  16.093 -43.919  38.906
  748    H3*    U  69           H3*        U  69  15.090 -46.545  40.107
  749    H2*    U  69           H2*        U  69  15.443 -45.497  42.322
  750   2HO*    U  69          2HO*        U  69  16.572 -43.729  42.628
  751    H1*    U  69           H1*        U  69  14.359 -43.058  41.729
  752    H3     U  69           H3         U  69  11.231 -44.771  44.414
  753    H5     U  69           H5         U  69  10.545 -46.660  40.735
  754    H6     U  69           H6         U  69  12.560 -45.637  39.910
  755   1H5*    C  70          1H5*        C  70  18.554 -46.098  42.460
  756   2H5*    C  70          2H5*        C  70  19.313 -47.683  42.304
  757    H4*    C  70           H4*        C  70  19.058 -47.107  44.556
  758    H3*    C  70           H3*        C  70  17.303 -49.456  43.692
  759    H2*    C  70           H2*        C  70  16.464 -49.577  45.956
  760   2HO*    C  70          2HO*        C  70  17.475 -48.767  47.661
  761    H1*    C  70           H1*        C  70  16.519 -46.832  46.541
  762   1H4     C  70          1H4         C  70  10.359 -48.067  45.876
  763   2H4     C  70          2H4         C  70  10.489 -47.962  44.153
  764    H5     C  70           H5         C  70  12.599 -47.668  42.995
  765    H6     C  70           H6         C  70  15.019 -47.419  43.309
  766    H3T    C  70           H3T        C  70  19.020 -50.071  45.453
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   0.622 -44.756  51.893
    2   2H5*    G   1          2H5*        G   1   0.791 -45.392  50.240
    3    H4*    G   1           H4*        G   1   2.787 -45.532  52.452
    4    H3*    G   1           H3*        G   1   2.700 -43.601  50.085
    5    H2*    G   1           H2*        G   1   5.170 -43.783  50.033
    6   2HO*    G   1          2HO*        G   1   6.328 -44.543  51.612
    7    H1*    G   1           H1*        G   1   5.325 -46.491  50.339
    8    H8     G   1           H8         G   1   2.362 -46.223  48.056
    9    H1     G   1           H1         G   1   7.986 -45.240  45.138
   10   1H2     G   1          1H2         G   1   9.629 -44.972  46.661
   11   2H2     G   1          2H2         G   1   9.257 -45.052  48.334
   12    H5T    G   1           H5T        G   1  -0.289 -46.857  51.652
   13   1H5*    A   2          1H5*        A   2   5.925 -42.285  52.470
   14   2H5*    A   2          2H5*        A   2   5.562 -40.575  52.705
   15    H4*    A   2           H4*        A   2   7.798 -40.877  52.051
   16    H3*    A   2           H3*        A   2   6.088 -39.432  49.969
   17    H2*    A   2           H2*        A   2   8.147 -39.237  48.617
   18   2HO*    A   2          2HO*        A   2  10.052 -39.346  49.396
   19    H1*    A   2           H1*        A   2   9.079 -41.780  49.030
   20    H8     A   2           H8         A   2   5.367 -42.262  48.574
   21   1H6     A   2          1H6         A   2   6.446 -42.112  42.501
   22   2H6     A   2          2H6         A   2   5.279 -42.445  43.735
   23    H2     A   2           H2         A   2  10.192 -40.849  44.625
   24   1H5*    C   3          1H5*        C   3   9.523 -37.084  50.328
   25   2H5*    C   3          2H5*        C   3   8.971 -35.409  50.311
   26    H4*    C   3           H4*        C   3  10.667 -35.896  48.689
   27    H3*    C   3           H3*        C   3   7.984 -34.899  47.608
   28    H2*    C   3           H2*        C   3   8.959 -35.018  45.372
   29   2HO*    C   3          2HO*        C   3  11.037 -35.047  44.978
   30    H1*    C   3           H1*        C   3  10.437 -37.344  45.736
   31   1H4     C   3          1H4         C   3   5.367 -39.243  42.459
   32   2H4     C   3          2H4         C   3   4.495 -39.512  43.930
   33    H5     C   3           H5         C   3   5.359 -38.916  46.114
   34    H6     C   3           H6         C   3   7.270 -37.927  47.293
   35   1H5*    G   4          1H5*        G   4   9.582 -30.760  47.002
   36   2H5*    G   4          2H5*        G   4   8.132 -29.920  47.556
   37    H4*    G   4           H4*        G   4   8.652 -29.585  45.232
   38    H3*    G   4           H3*        G   4   5.934 -30.832  45.880
   39    H2*    G   4           H2*        G   4   5.490 -30.828  43.471
   40   2HO*    G   4          2HO*        G   4   6.105 -28.919  42.842
   41    H1*    G   4           H1*        G   4   8.032 -31.543  42.630
   42    H8     G   4           H8         G   4   6.888 -33.744  45.567
   43    H1     G   4           H1         G   4   5.106 -35.740  39.740
   44   1H2     G   4          1H2         G   4   5.583 -34.172  38.189
   45   2H2     G   4          2H2         G   4   6.324 -32.702  38.669
   46   1H5*    G   5          1H5*        G   5   2.238 -28.272  43.964
   47   2H5*    G   5          2H5*        G   5   2.444 -29.837  44.749
   48    H4*    G   5           H4*        G   5   3.091 -29.266  41.889
   49    H3*    G   5           H3*        G   5   0.391 -30.055  42.974
   50    H2*    G   5           H2*        G   5   0.240 -31.772  41.241
   51   2HO*    G   5          2HO*        G   5   1.446 -31.827  39.505
   52    H1*    G   5           H1*        G   5   2.709 -32.862  41.403
   53    H8     G   5           H8         G   5   2.712 -32.513  44.961
   54    H1     G   5           H1         G   5  -1.999 -36.423  43.057
   55   1H2     G   5          1H2         G   5  -2.385 -36.176  40.848
   56   2H2     G   5          2H2         G   5  -1.456 -35.053  39.945
   57   1H5*    C   6          1H5*        C   6  -0.838 -30.485  39.292
   58   2H5*    C   6          2H5*        C   6  -1.804 -29.027  39.064
   59    H4*    C   6           H4*        C   6  -3.068 -30.768  38.284
   60    H3*    C   6           H3*        C   6  -4.119 -29.824  40.982
   61    H2*    C   6           H2*        C   6  -5.853 -31.581  40.789
   62   2HO*    C   6          2HO*        C   6  -6.437 -31.454  38.759
   63    H1*    C   6           H1*        C   6  -4.236 -33.606  39.975
   64   1H4     C   6          1H4         C   6  -4.223 -34.238  46.268
   65   2H4     C   6          2H4         C   6  -2.799 -33.260  46.378
   66    H5     C   6           H5         C   6  -1.822 -32.119  44.475
   67    H6     C   6           H6         C   6  -2.056 -31.712  42.067
   68   1H5*    U   7          1H5*        U   7  -7.884 -29.697  39.007
   69   2H5*    U   7          2H5*        U   7  -8.277 -27.991  39.218
   70    H4*    U   7           H4*        U   7 -10.086 -29.231  39.921
   71    H3*    U   7           H3*        U   7  -8.608 -28.003  42.299
   72    H2*    U   7           H2*        U   7 -10.347 -29.023  43.727
   73   2HO*    U   7          2HO*        U   7 -12.194 -29.753  43.005
   74    H1*    U   7           H1*        U   7 -10.452 -31.455  42.469
   75    H3     U   7           H3         U   7  -8.534 -32.314  46.448
   76    H5     U   7           H5         U   7  -5.380 -31.056  43.989
   77    H6     U   7           H6         U   7  -7.007 -30.460  42.321
   78   1H5*    U   8          1H5*        U   8 -12.523 -27.121  42.972
   79   2H5*    U   8          2H5*        U   8 -12.636 -25.483  43.615
   80    H4*    U   8           H4*        U   8 -13.661 -27.177  44.984
   81    H3*    U   8           H3*        U   8 -11.432 -25.508  46.248
   82    H2*    U   8           H2*        U   8 -11.748 -26.767  48.294
   83   2HO*    U   8          2HO*        U   8 -13.527 -27.812  48.797
   84    H1*    U   8           H1*        U   8 -12.372 -29.240  47.135
   85    H3     U   8           H3         U   8  -8.688 -29.830  49.711
   86    H5     U   8           H5         U   8  -7.264 -28.542  45.985
   87    H6     U   8           H6         U   8  -9.536 -28.067  45.354
   88   1H5*    G   9          1H5*        G   9 -15.040 -25.478  48.781
   89   2H5*    G   9          2H5*        G   9 -15.146 -23.817  49.364
   90    H4*    G   9           H4*        G   9 -15.445 -25.409  51.109
   91    H3*    G   9           H3*        G   9 -13.027 -23.576  51.378
   92    H2*    G   9           H2*        G   9 -12.530 -24.742  53.505
   93   2HO*    G   9          2HO*        G   9 -13.908 -25.914  54.549
   94    H1*    G   9           H1*        G   9 -12.910 -27.286  52.626
   95    H8     G   9           H8         G   9 -11.305 -25.405  49.713
   96    H1     G   9           H1         G   9  -7.222 -27.607  54.138
   97   1H2     G   9          1H2         G   9  -8.345 -28.363  55.943
   98   2H2     G   9          2H2         G   9 -10.059 -28.288  55.968
   99   1H5*    C  10          1H5*        C  10 -14.658 -23.388  55.238
  100   2H5*    C  10          2H5*        C  10 -14.725 -21.658  55.575
  101    H4*    C  10           H4*        C  10 -13.633 -22.796  57.310
  102    H3*    C  10           H3*        C  10 -11.798 -20.940  55.719
  103    H2*    C  10           H2*        C  10 -10.006 -21.602  57.295
  104   2HO*    C  10          2HO*        C  10 -10.347 -22.467  59.158
  105    H1*    C  10           H1*        C  10 -10.544 -24.281  57.327
  106   1H4     C  10          1H4         C  10  -6.124 -23.927  52.839
  107   2H4     C  10          2H4         C  10  -7.303 -23.472  51.655
  108    H5     C  10           H5         C  10  -9.630 -23.056  52.188
  109    H6     C  10           H6         C  10 -11.273 -23.003  54.011
  110   1H5*    U  11          1H5*        U  11 -10.895 -19.843  59.534
  111   2H5*    U  11          2H5*        U  11 -10.755 -18.084  59.547
  112    H4*    U  11           H4*        U  11  -8.780 -19.131  60.331
  113    H3*    U  11           H3*        U  11  -8.461 -17.538  57.748
  114    H2*    U  11           H2*        U  11  -6.062 -18.152  57.823
  115   2HO*    U  11          2HO*        U  11  -5.085 -18.852  59.528
  116    H1*    U  11           H1*        U  11  -6.389 -20.783  58.444
  117    H3     U  11           H3         U  11  -5.178 -21.065  54.159
  118    H5     U  11           H5         U  11  -9.224 -19.980  53.991
  119    H6     U  11           H6         U  11  -9.182 -19.712  56.382
  120   1H5*    G  12          1H5*        G  12  -5.396 -16.597  60.344
  121   2H5*    G  12          2H5*        G  12  -5.091 -14.861  60.287
  122    H4*    G  12           H4*        G  12  -3.149 -16.322  60.008
  123    H3*    G  12           H3*        G  12  -3.762 -14.124  58.042
  124    H2*    G  12           H2*        G  12  -2.308 -14.941  56.425
  125   2HO*    G  12          2HO*        G  12  -0.338 -15.610  56.868
  126    H1*    G  12           H1*        G  12  -1.842 -17.579  57.624
  127    H8     G  12           H8         G  12  -5.149 -17.654  55.939
  128    H1     G  12           H1         G  12  -0.230 -18.214  51.866
  129   1H2     G  12          1H2         G  12   1.708 -17.665  52.888
  130   2H2     G  12          2H2         G  12   1.691 -17.186  54.535
  131   1H5*    A  13          1H5*        A  13  -0.210 -13.035  60.402
  132   2H5*    A  13          2H5*        A  13   0.160 -11.316  60.549
  133    H4*    A  13           H4*        A  13   1.573 -12.623  59.024
  134    H3*    A  13           H3*        A  13   0.295 -10.042  58.239
  135    H2*    A  13           H2*        A  13   0.351 -10.449  55.966
  136   2HO*    A  13          2HO*        A  13   2.220 -11.304  55.010
  137    H1*    A  13           H1*        A  13   1.438 -13.213  56.144
  138    H8     A  13           H8         A  13  -2.320 -12.320  56.175
  139   1H6     A  13          1H6         A  13  -2.281 -14.326  50.340
  140   2H6     A  13          2H6         A  13  -3.263 -13.757  51.646
  141    H2     A  13           H2         A  13   1.945 -14.323  51.854
  142   1H5*    A  14          1H5*        A  14   3.016  -6.694  58.000
  143   2H5*    A  14          2H5*        A  14   1.441  -6.231  57.358
  144    H4*    A  14           H4*        A  14   3.444  -8.157  56.346
  145    H3*    A  14           H3*        A  14   2.438  -5.628  55.305
  146    H2*    A  14           H2*        A  14   0.972  -6.552  53.737
  147   2HO*    A  14          2HO*        A  14   3.292  -7.816  52.788
  148    H1*    A  14           H1*        A  14   2.240  -9.316  53.929
  149    H8     A  14           H8         A  14  -1.251  -8.495  55.251
  150   1H6     A  14          1H6         A  14  -3.259 -11.626  50.329
  151   2H6     A  14          2H6         A  14  -3.714 -10.847  51.805
  152    H2     A  14           H2         A  14   1.190 -11.152  49.974
  153   1H5*    G  15          1H5*        G  15   5.276  -4.790  50.977
  154   2H5*    G  15          2H5*        G  15   3.780  -5.711  51.133
  155    H4*    G  15           H4*        G  15   6.412  -6.936  50.441
  156    H3*    G  15           H3*        G  15   4.602  -5.535  48.484
  157    H2*    G  15           H2*        G  15   4.735  -7.480  47.016
  158   2HO*    G  15          2HO*        G  15   6.235  -8.934  47.110
  159    H1*    G  15           H1*        G  15   4.369  -9.491  48.786
  160    H8     G  15           H8         G  15   1.969  -7.618  50.624
  161    H1     G  15           H1         G  15  -0.030  -8.538  44.603
  162   1H2     G  15          1H2         G  15   1.694  -9.160  43.284
  163   2H2     G  15          2H2         G  15   3.262  -9.321  43.959
  164   1H5*    C  16          1H5*        C  16   7.879  -5.499  45.990
  165   2H5*    C  16          2H5*        C  16   8.110  -3.859  45.384
  166    H4*    C  16           H4*        C  16   7.664  -5.418  43.647
  167    H3*    C  16           H3*        C  16   5.573  -3.215  43.999
  168    H2*    C  16           H2*        C  16   4.410  -4.203  42.054
  169   2HO*    C  16          2HO*        C  16   5.305  -5.524  40.695
  170    H1*    C  16           H1*        C  16   4.680  -6.828  42.783
  171   1H4     C  16          1H4         C  16  -1.039  -5.244  44.989
  172   2H4     C  16          2H4         C  16  -0.347  -4.850  46.526
  173    H5     C  16           H5         C  16   2.041  -4.838  46.944
  174    H6     C  16           H6         C  16   4.239  -5.214  45.920
  175   1H5*    G  17          1H5*        G  17   6.210  -3.270  39.807
  176   2H5*    G  17          2H5*        G  17   6.510  -1.567  39.459
  177    H4*    G  17           H4*        G  17   4.891  -2.382  37.998
  178    H3*    G  17           H3*        G  17   3.756  -0.400  40.024
  179    H2*    G  17           H2*        G  17   1.576  -0.697  38.885
  180   2HO*    G  17          2HO*        G  17   1.352  -1.509  36.974
  181    H1*    G  17           H1*        G  17   1.662  -3.413  38.663
  182    H8     G  17           H8         G  17   3.174  -2.393  42.049
  183    H1     G  17           H1         G  17  -3.192  -3.146  41.950
  184   1H2     G  17          1H2         G  17  -3.920  -3.431  39.832
  185   2H2     G  17          2H2         G  17  -2.793  -3.422  38.540
  186   1H5*    C  18          1H5*        C  18   2.334   0.779  36.131
  187   2H5*    C  18          2H5*        C  18   2.306   2.542  36.182
  188    H4*    C  18           H4*        C  18   0.225   1.540  35.517
  189    H3*    C  18           H3*        C  18   0.177   3.297  38.018
  190    H2*    C  18           H2*        C  18  -2.250   2.866  38.111
  191   2HO*    C  18          2HO*        C  18  -3.387   2.240  36.491
  192    H1*    C  18           H1*        C  18  -2.157   0.189  37.508
  193   1H4     C  18          1H4         C  18  -2.393   0.025  43.806
  194   2H4     C  18          2H4         C  18  -0.717   0.439  43.933
  195    H5     C  18           H5         C  18   0.669   0.972  42.016
  196    H6     C  18           H6         C  18   0.677   1.205  39.573
  197   1H5*    G  19          1H5*        G  19  -3.083   4.770  35.713
  198   2H5*    G  19          2H5*        G  19  -3.079   6.506  36.025
  199    H4*    G  19           H4*        G  19  -5.157   5.410  36.542
  200    H3*    G  19           H3*        G  19  -3.747   6.866  38.831
  201    H2*    G  19           H2*        G  19  -5.663   6.224  40.244
  202   2HO*    G  19          2HO*        G  19  -7.530   5.662  39.503
  203    H1*    G  19           H1*        G  19  -5.941   3.651  39.315
  204    H8     G  19           H8         G  19  -2.202   4.320  39.730
  205    H1     G  19           H1         G  19  -5.277   2.576  45.080
  206   1H2     G  19          1H2         G  19  -7.508   2.574  44.743
  207   2H2     G  19          2H2         G  19  -8.134   3.006  43.205
  208   1H5*    C  20          1H5*        C  20  -7.804   8.157  39.079
  209   2H5*    C  20          2H5*        C  20  -7.662   9.881  39.425
  210    H4*    C  20           H4*        C  20  -9.047   8.702  40.977
  211    H3*    C  20           H3*        C  20  -6.570  10.068  42.139
  212    H2*    C  20           H2*        C  20  -7.327   9.285  44.344
  213   2HO*    C  20          2HO*        C  20  -9.436   9.777  44.169
  214    H1*    C  20           H1*        C  20  -8.152   6.771  43.568
  215   1H4     C  20          1H4         C  20  -2.426   5.415  45.805
  216   2H4     C  20          2H4         C  20  -1.644   6.259  44.512
  217    H5     C  20           H5         C  20  -2.851   7.472  42.795
  218    H6     C  20           H6         C  20  -5.088   8.100  42.006
  219   1H5*    A  21          1H5*        A  21  -6.934  13.862  44.653
  220   2H5*    A  21          2H5*        A  21  -5.968  12.413  44.933
  221    H4*    A  21           H4*        A  21  -8.327  13.398  46.488
  222    H3*    A  21           H3*        A  21  -5.395  13.538  47.131
  223    H2*    A  21           H2*        A  21  -5.860  12.704  49.366
  224   2HO*    A  21          2HO*        A  21  -7.762  12.723  50.282
  225    H1*    A  21           H1*        A  21  -7.559  10.663  48.858
  226    H8     A  21           H8         A  21  -5.540  10.178  45.832
  227   1H6     A  21          1H6         A  21  -1.230   7.582  49.402
  228   2H6     A  21          2H6         A  21  -1.770   7.841  47.779
  229    H2     A  21           H2         A  21  -4.192   9.657  52.059
  230   1H5*    C  22          1H5*        C  22  -7.291  15.051  50.485
  231   2H5*    C  22          2H5*        C  22  -6.623  16.670  50.687
  232    H4*    C  22           H4*        C  22  -6.707  15.276  52.709
  233    H3*    C  22           H3*        C  22  -4.117  16.607  51.866
  234    H2*    C  22           H2*        C  22  -3.020  15.491  53.772
  235   2HO*    C  22          2HO*        C  22  -4.563  15.771  55.273
  236    H1*    C  22           H1*        C  22  -4.042  13.007  53.440
  237   1H4     C  22          1H4         C  22   1.286  13.129  49.964
  238   2H4     C  22          2H4         C  22   0.295  13.020  48.548
  239    H5     C  22           H5         C  22  -2.122  13.189  48.603
  240    H6     C  22           H6         C  22  -4.060  13.503  50.076
  241   1H5*    G  23          1H5*        G  23  -3.129  20.044  55.524
  242   2H5*    G  23          2H5*        G  23  -2.091  19.812  54.118
  243    H4*    G  23           H4*        G  23  -1.943  18.649  56.835
  244    H3*    G  23           H3*        G  23   0.027  20.270  55.193
  245    H2*    G  23           H2*        G  23   1.838  18.946  56.222
  246   2HO*    G  23          2HO*        G  23   1.635  17.850  57.974
  247    H1*    G  23           H1*        G  23   0.752  16.482  55.944
  248    H8     G  23           H8         G  23  -0.551  17.551  52.726
  249    H1     G  23           H1         G  23   5.857  17.338  52.737
  250   1H2     G  23          1H2         G  23   6.639  17.231  54.852
  251   2H2     G  23          2H2         G  23   5.536  17.216  56.165
  252   1H5*    G  24          1H5*        G  24   1.530  21.650  58.772
  253   2H5*    G  24          2H5*        G  24   1.836  23.375  58.560
  254    H4*    G  24           H4*        G  24   3.812  22.030  58.928
  255    H3*    G  24           H3*        G  24   3.676  23.690  56.367
  256    H2*    G  24           H2*        G  24   5.943  22.828  55.858
  257   2HO*    G  24          2HO*        G  24   7.227  22.040  57.272
  258    H1*    G  24           H1*        G  24   5.482  20.221  56.515
  259    H8     G  24           H8         G  24   2.223  20.951  54.873
  260    H1     G  24           H1         G  24   7.100  20.486  50.737
  261   1H2     G  24          1H2         G  24   9.072  20.534  51.832
  262   2H2     G  24          2H2         G  24   9.089  20.677  53.542
  263   1H5*    C  25          1H5*        C  25   7.286  25.295  57.941
  264   2H5*    C  25          2H5*        C  25   7.110  27.035  57.709
  265    H4*    C  25           H4*        C  25   9.099  26.178  56.727
  266    H3*    C  25           H3*        C  25   7.090  27.400  54.773
  267    H2*    C  25           H2*        C  25   8.749  26.921  52.998
  268   2HO*    C  25          2HO*        C  25  10.760  26.624  53.345
  269    H1*    C  25           H1*        C  25   9.417  24.401  53.817
  270   1H4     C  25          1H4         C  25   4.889  23.343  49.531
  271   2H4     C  25          2H4         C  25   3.675  23.422  50.763
  272    H5     C  25           H5         C  25   4.153  24.029  53.060
  273    H6     C  25           H6         C  25   5.937  24.684  54.614
  274   1H5*    A  26          1H5*        A  26  10.949  29.216  53.855
  275   2H5*    A  26          2H5*        A  26  10.514  30.899  53.557
  276    H4*    A  26           H4*        A  26  11.855  29.898  51.825
  277    H3*    A  26           H3*        A  26   9.116  30.985  51.014
  278    H2*    A  26           H2*        A  26   9.702  30.317  48.701
  279   2HO*    A  26          2HO*        A  26  11.743  30.948  48.590
  280    H1*    A  26           H1*        A  26  10.733  27.861  49.300
  281    H8     A  26           H8         A  26   7.758  28.228  51.613
  282   1H6     A  26          1H6         A  26   4.332  26.198  46.901
  283   2H6     A  26          2H6         A  26   4.350  26.584  48.587
  284    H2     A  26           H2         A  26   8.471  27.025  45.375
  285   1H5*    A  27          1H5*        A  27  11.670  33.459  48.209
  286   2H5*    A  27          2H5*        A  27  10.470  34.695  47.833
  287    H4*    A  27           H4*        A  27  11.400  33.023  46.090
  288    H3*    A  27           H3*        A  27   8.549  34.130  46.153
  289    H2*    A  27           H2*        A  27   8.069  32.717  44.219
  290   2HO*    A  27          2HO*        A  27   9.546  31.913  42.934
  291    H1*    A  27           H1*        A  27   9.572  30.511  44.991
  292    H8     A  27           H8         A  27   7.745  31.143  48.133
  293   1H6     A  27          1H6         A  27   2.762  28.604  45.527
  294   2H6     A  27          2H6         A  27   3.477  29.148  47.006
  295    H2     A  27           H2         A  27   5.793  29.375  42.307
  296   1H5*    G  28          1H5*        G  28   9.337  34.475  42.071
  297   2H5*    G  28          2H5*        G  28   8.935  36.161  41.745
  298    H4*    G  28           H4*        G  28   7.821  34.763  40.238
  299    H3*    G  28           H3*        G  28   5.938  36.150  42.205
  300    H2*    G  28           H2*        G  28   4.088  35.034  40.991
  301   2HO*    G  28          2HO*        G  28   4.557  35.184  38.968
  302    H1*    G  28           H1*        G  28   5.241  32.567  40.795
  303    H8     G  28           H8         G  28   6.200  33.800  44.259
  304    H1     G  28           H1         G  28   0.290  31.356  43.806
  305   1H2     G  28          1H2         G  28  -0.269  31.037  41.643
  306   2H2     G  28          2H2         G  28   0.851  31.444  40.409
  307   1H5*    A  29          1H5*        A  29   3.123  39.321  38.753
  308   2H5*    A  29          2H5*        A  29   2.750  38.669  40.348
  309    H4*    A  29           H4*        A  29   2.254  37.368  37.702
  310    H3*    A  29           H3*        A  29   0.562  39.285  38.635
  311    H2*    A  29           H2*        A  29   0.004  38.242  40.782
  312   2HO*    A  29          2HO*        A  29  -1.914  37.061  40.469
  313    H1*    A  29           H1*        A  29  -0.170  35.554  39.370
  314    H8     A  29           H8         A  29   2.448  36.026  42.067
  315   1H6     A  29          1H6         A  29  -1.493  33.124  45.822
  316   2H6     A  29          2H6         A  29   0.113  33.742  45.643
  317    H2     A  29           H2         A  29  -3.620  34.019  41.974
  318   1H5*    G  30          1H5*        G  30  -4.400  37.879  36.523
  319   2H5*    G  30          2H5*        G  30  -4.004  38.815  37.964
  320    H4*    G  30           H4*        G  30  -4.689  35.935  37.756
  321    H3*    G  30           H3*        G  30  -6.703  37.660  37.873
  322    H2*    G  30           H2*        G  30  -5.776  39.160  39.654
  323   2HO*    G  30          2HO*        G  30  -6.987  38.712  41.470
  324    H1*    G  30           H1*        G  30  -5.352  36.695  41.351
  325    H8     G  30           H8         G  30  -3.077  39.581  39.980
  326    H1     G  30           H1         G  30  -3.098  38.622  46.320
  327   1H2     G  30          1H2         G  30  -4.491  36.931  46.858
  328   2H2     G  30          2H2         G  30  -5.351  36.114  45.620
  329   1H5*    G  31          1H5*        G  31 -10.355  34.383  38.147
  330   2H5*    G  31          2H5*        G  31 -11.122  35.955  38.370
  331    H4*    G  31           H4*        G  31  -9.402  34.372  40.179
  332    H3*    G  31           H3*        G  31 -12.176  35.187  40.327
  333    H2*    G  31           H2*        G  31 -11.850  37.056  41.708
  334   2HO*    G  31          2HO*        G  31 -11.382  36.580  43.821
  335    H1*    G  31           H1*        G  31  -9.090  36.098  42.578
  336    H8     G  31           H8         G  31  -9.850  39.217  40.439
  337    H1     G  31           H1         G  31  -8.000  40.236  46.493
  338   1H2     G  31          1H2         G  31  -7.865  38.283  47.617
  339   2H2     G  31          2H2         G  31  -8.239  36.816  46.813
  340   1H5*    C  32          1H5*        C  32 -14.661  34.636  41.539
  341   2H5*    C  32          2H5*        C  32 -13.056  34.556  42.265
  342    H4*    C  32           H4*        C  32 -15.464  32.902  42.825
  343    H3*    C  32           H3*        C  32 -14.034  34.971  44.526
  344    H2*    C  32           H2*        C  32 -14.492  33.536  46.485
  345   2HO*    C  32          2HO*        C  32 -16.519  32.941  46.054
  346    H1*    C  32           H1*        C  32 -13.756  31.159  45.416
  347   1H4     C  32          1H4         C  32  -8.277  33.091  47.856
  348   2H4     C  32          2H4         C  32  -7.948  34.065  46.463
  349    H5     C  32           H5         C  32  -9.523  34.355  44.644
  350    H6     C  32           H6         C  32 -11.754  33.738  43.828
  351   1H5*    G  33          1H5*        G  33 -17.802  35.282  46.461
  352   2H5*    G  33          2H5*        G  33 -17.866  36.934  47.075
  353    H4*    G  33           H4*        G  33 -17.798  35.150  48.748
  354    H3*    G  33           H3*        G  33 -15.728  37.394  48.879
  355    H2*    G  33           H2*        G  33 -14.864  36.277  50.914
  356   2HO*    G  33          2HO*        G  33 -15.931  34.857  52.016
  357    H1*    G  33           H1*        G  33 -14.922  33.720  49.957
  358    H8     G  33           H8         G  33 -13.765  35.804  47.001
  359    H1     G  33           H1         G  33  -9.190  34.427  51.278
  360   1H2     G  33          1H2         G  33 -10.096  33.543  53.146
  361   2H2     G  33          2H2         G  33 -11.795  33.332  53.247
  362   1H5*    U  34          1H5*        U  34 -17.590  37.138  52.858
  363   2H5*    U  34          2H5*        U  34 -17.414  38.763  53.519
  364    H4*    U  34           H4*        U  34 -16.465  36.866  54.804
  365    H3*    U  34           H3*        U  34 -14.792  39.356  54.221
  366    H2*    U  34           H2*        U  34 -12.982  38.258  55.511
  367   2HO*    U  34          2HO*        U  34 -13.277  36.613  56.789
  368    H1*    U  34           H1*        U  34 -13.236  35.771  54.414
  369    H3     U  34           H3         U  34  -9.426  37.177  52.556
  370    H5     U  34           H5         U  34 -12.411  39.082  50.311
  371    H6     U  34           H6         U  34 -14.032  38.240  51.877
  372   1H5*    C  35          1H5*        C  35 -14.223  39.249  58.441
  373   2H5*    C  35          2H5*        C  35 -14.584  40.914  58.892
  374    H4*    C  35           H4*        C  35 -12.493  40.265  59.723
  375    H3*    C  35           H3*        C  35 -12.325  42.413  57.550
  376    H2*    C  35           H2*        C  35  -9.896  42.402  57.897
  377   2HO*    C  35          2HO*        C  35  -8.940  41.550  59.609
  378    H1*    C  35           H1*        C  35  -9.586  39.673  58.206
  379   1H4     C  35          1H4         C  35  -7.888  40.652  52.196
  380   2H4     C  35          2H4         C  35  -9.537  40.531  51.681
  381    H5     C  35           H5         C  35 -11.397  40.320  53.221
  382    H6     C  35           H6         C  35 -12.007  40.184  55.594
  383    H3T    C  35           H3T        C  35 -11.489  43.195  59.805
  384   1H5*    G  36          1H5*        G  36   2.775  40.949  51.040
  385   2H5*    G  36          2H5*        G  36   1.239  41.554  50.374
  386    H4*    G  36           H4*        G  36   2.210  41.770  53.188
  387    H3*    G  36           H3*        G  36   0.217  39.785  52.010
  388    H2*    G  36           H2*        G  36  -1.057  40.012  54.122
  389   2HO*    G  36          2HO*        G  36  -0.273  40.837  55.887
  390    H1*    G  36           H1*        G  36  -0.925  42.725  54.327
  391    H8     G  36           H8         G  36  -1.376  42.412  50.629
  392    H1     G  36           H1         G  36  -6.718  41.256  53.979
  393   1H2     G  36          1H2         G  36  -6.238  41.008  56.171
  394   2H2     G  36          2H2         G  36  -4.613  41.143  56.703
  395    H5T    G  36           H5T        G  36   2.982  43.029  50.072
  396   1H5*    A  37          1H5*        A  37   0.604  38.512  55.975
  397   2H5*    A  37          2H5*        A  37   1.045  36.813  55.796
  398    H4*    A  37           H4*        A  37  -0.700  37.045  57.338
  399    H3*    A  37           H3*        A  37  -1.539  35.626  54.763
  400    H2*    A  37           H2*        A  37  -3.770  35.370  55.800
  401   2HO*    A  37          2HO*        A  37  -4.099  35.406  57.823
  402    H1*    A  37           H1*        A  37  -3.966  37.896  56.834
  403    H8     A  37           H8         A  37  -2.388  38.491  53.470
  404   1H6     A  37          1H6         A  37  -8.083  38.183  51.119
  405   2H6     A  37          2H6         A  37  -6.430  38.582  50.802
  406    H2     A  37           H2         A  37  -8.252  36.821  55.392
  407   1H5*    C  38          1H5*        C  38  -2.943  33.132  57.872
  408   2H5*    C  38          2H5*        C  38  -2.671  31.483  57.308
  409    H4*    C  38           H4*        C  38  -4.937  31.974  57.983
  410    H3*    C  38           H3*        C  38  -4.494  30.983  55.122
  411    H2*    C  38           H2*        C  38  -6.919  31.094  54.826
  412   2HO*    C  38          2HO*        C  38  -8.312  31.112  56.412
  413    H1*    C  38           H1*        C  38  -7.360  33.424  56.269
  414   1H4     C  38          1H4         C  38  -7.554  35.295  50.225
  415   2H4     C  38          2H4         C  38  -5.846  35.581  50.242
  416    H5     C  38           H5         C  38  -4.422  35.004  52.117
  417    H6     C  38           H6         C  38  -4.397  34.022  54.365
  418   1H5*    G  39          1H5*        G  39  -5.658  26.697  56.271
  419   2H5*    G  39          2H5*        G  39  -4.589  25.973  55.070
  420    H4*    G  39           H4*        G  39  -7.021  25.686  54.764
  421    H3*    G  39           H3*        G  39  -5.292  26.726  52.466
  422    H2*    G  39           H2*        G  39  -7.354  26.775  51.115
  423   2HO*    G  39          2HO*        G  39  -8.190  24.860  51.721
  424    H1*    G  39           H1*        G  39  -9.017  27.805  53.044
  425    H8     G  39           H8         G  39  -5.733  29.722  53.305
  426    H1     G  39           H1         G  39  -9.730  31.792  48.740
  427   1H2     G  39          1H2         G  39 -11.436  30.339  48.467
  428   2H2     G  39          2H2         G  39 -11.506  28.923  49.431
  429   1H5*    G  40          1H5*        G  40  -4.959  24.661  48.498
  430   2H5*    G  40          2H5*        G  40  -4.594  26.187  49.304
  431    H4*    G  40           H4*        G  40  -7.237  25.516  48.087
  432    H3*    G  40           H3*        G  40  -4.854  26.608  46.599
  433    H2*    G  40           H2*        G  40  -6.296  28.324  45.626
  434   2HO*    G  40          2HO*        G  40  -8.412  28.242  45.610
  435    H1*    G  40           H1*        G  40  -7.661  29.133  47.815
  436    H8     G  40           H8         G  40  -4.862  28.927  49.942
  437    H1     G  40           H1         G  40  -3.633  32.979  45.127
  438   1H2     G  40          1H2         G  40  -5.098  32.668  43.439
  439   2H2     G  40          2H2         G  40  -6.316  31.470  43.584
  440   1H5*    C  41          1H5*        C  41  -6.759  26.065  43.166
  441   2H5*    C  41          2H5*        C  41  -5.766  24.971  42.200
  442    H4*    C  41           H4*        C  41  -6.133  27.036  41.095
  443    H3*    C  41           H3*        C  41  -3.232  26.440  41.816
  444    H2*    C  41           H2*        C  41  -2.653  28.597  40.747
  445   2HO*    C  41          2HO*        C  41  -3.915  28.509  39.003
  446    H1*    C  41           H1*        C  41  -4.635  30.094  41.856
  447   1H4     C  41          1H4         C  41   0.265  30.693  45.850
  448   2H4     C  41          2H4         C  41  -0.514  29.588  46.931
  449    H5     C  41           H5         C  41  -2.530  28.369  46.360
  450    H6     C  41           H6         C  41  -4.193  27.993  44.595
  451   1H5*    U  42          1H5*        U  42  -2.290  26.275  37.802
  452   2H5*    U  42          2H5*        U  42  -1.817  24.601  37.508
  453    H4*    U  42           H4*        U  42  -0.060  25.871  36.825
  454    H3*    U  42           H3*        U  42   0.601  24.647  39.549
  455    H2*    U  42           H2*        U  42   2.798  25.763  39.359
  456   2HO*    U  42          2HO*        U  42   3.573  26.553  37.555
  457    H1*    U  42           H1*        U  42   1.889  28.169  38.420
  458    H3     U  42           H3         U  42   3.281  28.948  42.641
  459    H5     U  42           H5         U  42  -0.698  27.683  43.019
  460    H6     U  42           H6         U  42  -0.670  27.119  40.680
  461   1H5*    U  43          1H5*        U  43   3.917  23.977  37.359
  462   2H5*    U  43          2H5*        U  43   4.491  22.339  37.674
  463    H4*    U  43           H4*        U  43   6.140  24.032  38.043
  464    H3*    U  43           H3*        U  43   5.384  22.313  40.456
  465    H2*    U  43           H2*        U  43   6.997  23.570  41.760
  466   2HO*    U  43          2HO*        U  43   8.657  24.555  40.957
  467    H1*    U  43           H1*        U  43   6.620  26.060  40.542
  468    H3     U  43           H3         U  43   5.645  26.512  44.949
  469    H5     U  43           H5         U  43   2.090  25.237  43.128
  470    H6     U  43           H6         U  43   3.345  24.833  41.116
  471   1H5*    G  44          1H5*        G  44   9.738  22.315  39.912
  472   2H5*    G  44          2H5*        G  44  10.214  20.642  40.207
  473    H4*    G  44           H4*        G  44  11.597  22.207  41.357
  474    H3*    G  44           H3*        G  44  10.014  20.277  43.109
  475    H2*    G  44           H2*        G  44  11.087  21.365  45.058
  476   2HO*    G  44          2HO*        G  44  12.800  22.555  44.941
  477    H1*    G  44           H1*        G  44  10.758  23.945  44.256
  478    H8     G  44           H8         G  44   7.601  22.093  43.159
  479    H1     G  44           H1         G  44   7.646  24.056  49.263
  480   1H2     G  44          1H2         G  44   9.698  24.797  49.839
  481   2H2     G  44          2H2         G  44  10.964  24.773  48.682
  482   1H5*    C  45          1H5*        C  45  13.817  19.976  44.810
  483   2H5*    C  45          2H5*        C  45  14.090  18.239  44.943
  484    H4*    C  45           H4*        C  45  14.450  19.317  47.003
  485    H3*    C  45           H3*        C  45  12.057  17.413  46.994
  486    H2*    C  45           H2*        C  45  11.780  17.969  49.383
  487   2HO*    C  45          2HO*        C  45  13.280  18.758  50.578
  488    H1*    C  45           H1*        C  45  12.212  20.670  49.167
  489   1H4     C  45          1H4         C  45   5.912  20.327  48.972
  490   2H4     C  45          2H4         C  45   5.943  19.959  47.281
  491    H5     C  45           H5         C  45   7.993  19.603  46.037
  492    H6     C  45           H6         C  45  10.440  19.538  46.214
  493   1H5*    U  46          1H5*        U  46  14.053  16.045  50.392
  494   2H5*    U  46          2H5*        U  46  13.838  14.295  50.361
  495    H4*    U  46           H4*        U  46  12.989  15.356  52.344
  496    H3*    U  46           H3*        U  46  10.987  13.790  50.645
  497    H2*    U  46           H2*        U  46   9.301  14.359  52.367
  498   2HO*    U  46          2HO*        U  46   9.765  14.909  54.299
  499    H1*    U  46           H1*        U  46   9.999  16.984  52.681
  500    H3     U  46           H3         U  46   6.088  17.298  50.532
  501    H5     U  46           H5         U  46   8.855  16.435  47.502
  502    H6     U  46           H6         U  46  10.516  16.095  49.209
  503   1H5*    G  47          1H5*        G  47  10.566  12.586  54.753
  504   2H5*    G  47          2H5*        G  47  10.255  10.852  54.701
  505    H4*    G  47           H4*        G  47   8.698  12.260  55.995
  506    H3*    G  47           H3*        G  47   7.720  10.249  53.958
  507    H2*    G  47           H2*        G  47   5.533  11.070  54.019
  508   2HO*    G  47          2HO*        G  47   4.555  11.677  55.799
  509    H1*    G  47           H1*        G  47   6.104  13.649  55.235
  510    H8     G  47           H8         G  47   7.359  13.796  51.742
  511    H1     G  47           H1         G  47   0.990  14.399  52.162
  512   1H2     G  47          1H2         G  47   0.276  13.810  54.221
  513   2H2     G  47          2H2         G  47   1.412  13.296  55.398
  514   1H5*    A  48          1H5*        A  48   6.891   8.925  57.978
  515   2H5*    A  48          2H5*        A  48   6.685   7.211  58.339
  516    H4*    A  48           H4*        A  48   4.635   8.521  58.256
  517    H3*    A  48           H3*        A  48   4.961   6.013  56.667
  518    H2*    A  48           H2*        A  48   3.327   6.522  55.117
  519   2HO*    A  48          2HO*        A  48   1.347   7.394  55.789
  520    H1*    A  48           H1*        A  48   2.741   9.257  56.124
  521    H8     A  48           H8         A  48   5.449   8.430  53.497
  522   1H6     A  48          1H6         A  48   1.404  10.681  49.418
  523   2H6     A  48          2H6         A  48   3.008  10.075  49.650
  524    H2     A  48           H2         A  48  -0.587  10.536  53.438
  525   1H5*    A  49          1H5*        A  49   2.859   2.609  58.312
  526   2H5*    A  49          2H5*        A  49   3.511   2.204  56.725
  527    H4*    A  49           H4*        A  49   1.410   4.132  57.509
  528    H3*    A  49           H3*        A  49   1.346   1.670  55.951
  529    H2*    A  49           H2*        A  49   1.279   2.689  53.851
  530   2HO*    A  49          2HO*        A  49  -1.006   3.951  54.886
  531    H1*    A  49           H1*        A  49   0.572   5.417  55.005
  532    H8     A  49           H8         A  49   3.964   4.620  53.439
  533   1H6     A  49          1H6         A  49   1.945   7.965  48.666
  534   2H6     A  49          2H6         A  49   3.299   7.143  49.359
  535    H2     A  49           H2         A  49  -1.463   7.411  51.534
  536   1H5*    G  50          1H5*        G  50  -3.742   0.941  54.885
  537   2H5*    G  50          2H5*        G  50  -2.547   1.851  53.959
  538    H4*    G  50           H4*        G  50  -4.873   3.097  55.352
  539    H3*    G  50           H3*        G  50  -4.981   1.790  52.639
  540    H2*    G  50           H2*        G  50  -6.074   3.788  51.759
  541   2HO*    G  50          2HO*        G  50  -7.037   5.230  52.935
  542    H1*    G  50           H1*        G  50  -4.530   5.728  52.837
  543    H8     G  50           H8         G  50  -1.568   3.813  52.377
  544    H1     G  50           H1         G  50  -4.369   5.003  46.734
  545   1H2     G  50          1H2         G  50  -6.507   5.656  47.036
  546   2H2     G  50          2H2         G  50  -7.143   5.770  48.626
  547   1H5*    C  51          1H5*        C  51  -9.063   1.835  53.128
  548   2H5*    C  51          2H5*        C  51  -9.686   0.219  52.798
  549    H4*    C  51           H4*        C  51 -10.538   1.860  51.301
  550    H3*    C  51           H3*        C  51  -8.867  -0.357  50.020
  551    H2*    C  51           H2*        C  51  -9.361   0.713  47.850
  552   2HO*    C  51          2HO*        C  51 -10.916   2.089  47.541
  553    H1*    C  51           H1*        C  51  -8.991   3.311  48.647
  554   1H4     C  51          1H4         C  51  -3.414   1.700  46.117
  555   2H4     C  51          2H4         C  51  -2.831   1.231  47.679
  556    H5     C  51           H5         C  51  -4.230   1.172  49.657
  557    H6     C  51           H6         C  51  -6.502   1.567  50.497
  558   1H5*    G  52          1H5*        G  52 -12.256  -0.114  47.463
  559   2H5*    G  52          2H5*        G  52 -12.767  -1.800  47.388
  560    H4*    G  52           H4*        G  52 -12.615  -0.957  45.229
  561    H3*    G  52           H3*        G  52 -10.417  -2.988  45.836
  562    H2*    G  52           H2*        G  52  -9.666  -2.662  43.496
  563   2HO*    G  52          2HO*        G  52 -10.834  -1.765  42.001
  564    H1*    G  52           H1*        G  52  -9.842   0.060  43.450
  565    H8     G  52           H8         G  52  -8.536  -1.096  46.886
  566    H1     G  52           H1         G  52  -4.090  -0.194  42.356
  567   1H2     G  52          1H2         G  52  -5.065   0.181  40.355
  568   2H2     G  52          2H2         G  52  -6.776   0.194  40.235
  569   1H5*    C  53          1H5*        C  53 -12.172  -4.020  42.025
  570   2H5*    C  53          2H5*        C  53 -12.118  -5.782  41.975
  571    H4*    C  53           H4*        C  53 -11.105  -4.682  40.080
  572    H3*    C  53           H3*        C  53  -9.343  -6.565  41.724
  573    H2*    C  53           H2*        C  53  -7.546  -6.080  40.110
  574   2HO*    C  53          2HO*        C  53  -7.864  -5.354  38.191
  575    H1*    C  53           H1*        C  53  -8.000  -3.378  39.874
  576   1H4     C  53          1H4         C  53  -3.361  -3.491  44.143
  577   2H4     C  53          2H4         C  53  -4.456  -3.955  45.400
  578    H5     C  53           H5         C  53  -6.799  -4.438  45.009
  579    H6     C  53           H6         C  53  -8.543  -4.561  43.287
  580   1H5*    G  54          1H5*        G  54  -8.666  -7.844  37.728
  581   2H5*    G  54          2H5*        G  54  -8.501  -9.595  37.863
  582    H4*    G  54           H4*        G  54  -6.625  -8.508  36.833
  583    H3*    G  54           H3*        G  54  -6.068 -10.088  39.391
  584    H2*    G  54           H2*        G  54  -3.697  -9.496  39.086
  585   2HO*    G  54          2HO*        G  54  -2.862  -8.888  37.275
  586    H1*    G  54           H1*        G  54  -4.079  -6.880  38.318
  587    H8     G  54           H8         G  54  -6.452  -7.600  41.227
  588    H1     G  54           H1         G  54  -0.462  -6.042  42.902
  589   1H2     G  54          1H2         G  54   0.881  -6.004  41.088
  590   2H2     G  54          2H2         G  54   0.229  -6.366  39.543
  591   1H5*    C  55          1H5*        C  55  -3.044 -11.356  36.650
  592   2H5*    C  55          2H5*        C  55  -2.936 -13.092  36.936
  593    H4*    C  55           H4*        C  55  -0.836 -11.957  37.097
  594    H3*    C  55           H3*        C  55  -1.798 -13.402  39.616
  595    H2*    C  55           H2*        C  55   0.311 -12.698  40.671
  596   2HO*    C  55          2HO*        C  55   1.672 -13.150  39.043
  597    H1*    C  55           H1*        C  55   0.391 -10.143  39.641
  598   1H4     C  55          1H4         C  55  -2.080  -8.966  45.310
  599   2H4     C  55          2H4         C  55  -3.559  -9.773  44.911
  600    H5     C  55           H5         C  55  -3.929 -10.899  42.798
  601    H6     C  55           H6         C  55  -2.907 -11.459  40.638
  602   1H5*    A  56          1H5*        A  56   0.193 -17.278  41.001
  603   2H5*    A  56          2H5*        A  56  -0.289 -15.860  41.932
  604    H4*    A  56           H4*        A  56   2.476 -16.836  41.338
  605    H3*    A  56           H3*        A  56   0.847 -17.071  43.851
  606    H2*    A  56           H2*        A  56   2.750 -16.291  45.143
  607   2HO*    A  56          2HO*        A  56   4.743 -16.317  44.471
  608    H1*    A  56           H1*        A  56   3.607 -14.193  43.669
  609    H8     A  56           H8         A  56   0.053 -13.656  42.950
  610   1H6     A  56          1H6         A  56  -0.510 -11.303  48.626
  611   2H6     A  56          2H6         A  56  -1.261 -11.490  47.079
  612    H2     A  56           H2         A  56   3.453 -13.395  48.358
  613   1H5*    C  57          1H5*        C  57   4.432 -18.683  44.814
  614   2H5*    C  57          2H5*        C  57   4.145 -20.332  45.368
  615    H4*    C  57           H4*        C  57   5.607 -18.982  46.793
  616    H3*    C  57           H3*        C  57   3.178 -20.352  47.980
  617    H2*    C  57           H2*        C  57   3.729 -19.288  50.134
  618   2HO*    C  57          2HO*        C  57   5.886 -19.562  50.106
  619    H1*    C  57           H1*        C  57   4.216 -16.776  49.251
  620   1H4     C  57          1H4         C  57  -2.022 -16.955  50.494
  621   2H4     C  57          2H4         C  57  -2.307 -16.800  48.794
  622    H5     C  57           H5         C  57  -0.541 -16.918  47.137
  623    H6     C  57           H6         C  57   1.875 -17.214  46.823
  624   1H5*    G  58          1H5*        G  58   4.823 -23.931  51.127
  625   2H5*    G  58          2H5*        G  58   3.123 -23.560  50.841
  626    H4*    G  58           H4*        G  58   4.973 -22.562  52.934
  627    H3*    G  58           H3*        G  58   2.401 -24.160  53.102
  628    H2*    G  58           H2*        G  58   1.863 -22.911  55.162
  629   2HO*    G  58          2HO*        G  58   3.259 -21.872  56.297
  630    H1*    G  58           H1*        G  58   2.464 -20.418  54.296
  631    H8     G  58           H8         G  58   1.096 -21.345  51.060
  632    H1     G  58           H1         G  58  -3.422 -21.252  55.607
  633   1H2     G  58          1H2         G  58  -2.479 -21.235  57.657
  634   2H2     G  58          2H2         G  58  -0.770 -21.246  57.804
  635   1H5*    G  59          1H5*        G  59   3.798 -25.585  56.703
  636   2H5*    G  59          2H5*        G  59   3.430 -27.309  56.729
  637    H4*    G  59           H4*        G  59   2.290 -26.014  58.418
  638    H3*    G  59           H3*        G  59   0.574 -27.605  56.458
  639    H2*    G  59           H2*        G  59  -1.392 -26.766  57.712
  640   2HO*    G  59          2HO*        G  59  -1.308 -26.066  59.644
  641    H1*    G  59           H1*        G  59  -0.592 -24.169  57.925
  642    H8     G  59           H8         G  59   0.586 -24.843  54.453
  643    H1     G  59           H1         G  59  -5.783 -24.281  54.922
  644   1H2     G  59          1H2         G  59  -6.425 -24.360  57.083
  645   2H2     G  59          2H2         G  59  -5.245 -24.546  58.313
  646   1H5*    C  60          1H5*        C  60  -0.969 -29.165  60.110
  647   2H5*    C  60          2H5*        C  60  -1.071 -30.900  59.800
  648    H4*    C  60           H4*        C  60  -3.142 -29.956  60.513
  649    H3*    C  60           H3*        C  60  -3.133 -31.195  57.719
  650    H2*    C  60           H2*        C  60  -5.544 -30.627  57.622
  651   2HO*    C  60          2HO*        C  60  -6.712 -30.298  59.281
  652    H1*    C  60           H1*        C  60  -5.346 -28.103  58.645
  653   1H4     C  60          1H4         C  60  -5.071 -27.122  52.404
  654   2H4     C  60          2H4         C  60  -3.346 -27.264  52.437
  655    H5     C  60           H5         C  60  -2.103 -27.895  54.420
  656    H6     C  60           H6         C  60  -2.315 -28.518  56.784
  657   1H5*    A  61          1H5*        A  61  -6.603 -32.888  59.734
  658   2H5*    A  61          2H5*        A  61  -6.549 -34.572  59.216
  659    H4*    A  61           H4*        A  61  -8.677 -33.528  58.872
  660    H3*    A  61           H3*        A  61  -7.256 -34.577  56.378
  661    H2*    A  61           H2*        A  61  -9.251 -33.836  55.110
  662   2HO*    A  61          2HO*        A  61 -11.103 -33.426  55.977
  663    H1*    A  61           H1*        A  61  -9.546 -31.405  56.318
  664    H8     A  61           H8         A  61  -5.800 -31.849  55.954
  665   1H6     A  61          1H6         A  61  -6.485 -29.626  50.240
  666   2H6     A  61          2H6         A  61  -5.353 -30.078  51.468
  667    H2     A  61           H2         A  61 -10.564 -30.404  51.941
  668   1H5*    A  62          1H5*        A  62 -11.146 -36.354  56.144
  669   2H5*    A  62          2H5*        A  62 -10.892 -37.880  55.296
  670    H4*    A  62           H4*        A  62 -12.457 -36.252  54.300
  671    H3*    A  62           H3*        A  62 -10.218 -37.472  52.607
  672    H2*    A  62           H2*        A  62 -11.091 -36.166  50.726
  673   2HO*    A  62          2HO*        A  62 -13.040 -35.434  50.605
  674    H1*    A  62           H1*        A  62 -11.703 -33.860  52.135
  675    H8     A  62           H8         A  62  -8.274 -34.732  53.365
  676   1H6     A  62          1H6         A  62  -6.086 -32.091  48.237
  677   2H6     A  62          2H6         A  62  -5.684 -32.737  49.791
  678    H2     A  62           H2         A  62 -10.531 -32.538  47.801
  679   1H5*    G  63          1H5*        G  63 -13.614 -38.651  50.027
  680   2H5*    G  63          2H5*        G  63 -12.908 -40.093  49.296
  681    H4*    G  63           H4*        G  63 -13.555 -38.121  47.867
  682    H3*    G  63           H3*        G  63 -10.915 -39.626  47.506
  683    H2*    G  63           H2*        G  63 -10.413 -38.071  45.682
  684   2HO*    G  63          2HO*        G  63 -12.248 -38.028  44.611
  685    H1*    G  63           H1*        G  63 -11.434 -35.781  46.862
  686    H8     G  63           H8         G  63  -9.478 -37.088  49.716
  687    H1     G  63           H1         G  63  -5.773 -34.830  44.994
  688   1H2     G  63          1H2         G  63  -6.985 -34.534  43.114
  689   2H2     G  63          2H2         G  63  -8.658 -34.907  43.115
  690   1H5*    A  64          1H5*        A  64  -9.991 -42.527  44.564
  691   2H5*    A  64          2H5*        A  64 -10.044 -41.068  45.552
  692    H4*    A  64           H4*        A  64 -11.627 -40.662  43.280
  693    H3*    A  64           H3*        A  64  -9.945 -42.450  42.213
  694    H2*    A  64           H2*        A  64  -7.826 -41.492  43.082
  695   2HO*    A  64          2HO*        A  64  -7.012 -40.201  41.304
  696    H1*    A  64           H1*        A  64  -8.753 -38.769  42.129
  697    H8     A  64           H8         A  64  -8.269 -39.318  45.853
  698   1H6     A  64          1H6         A  64  -2.757 -36.647  45.120
  699   2H6     A  64          2H6         A  64  -3.917 -37.233  46.262
  700    H2     A  64           H2         A  64  -4.507 -37.395  41.055
  701   1H5*    G  65          1H5*        G  65  -8.556 -41.457  37.212
  702   2H5*    G  65          2H5*        G  65  -7.712 -42.187  38.577
  703    H4*    G  65           H4*        G  65  -7.407 -39.425  37.530
  704    H3*    G  65           H3*        G  65  -6.168 -41.320  36.145
  705    H2*    G  65           H2*        G  65  -5.304 -42.660  38.080
  706   2HO*    G  65          2HO*        G  65  -3.106 -42.229  38.135
  707    H1*    G  65           H1*        G  65  -4.121 -40.102  39.176
  708    H8     G  65           H8         G  65  -6.659 -42.776  40.511
  709    H1     G  65           H1         G  65  -1.418 -41.691  44.039
  710   1H2     G  65          1H2         G  65  -0.105 -40.146  43.048
  711   2H2     G  65          2H2         G  65  -0.589 -39.452  41.556
  712   1H5*    G  66          1H5*        G  66  -3.612 -38.242  33.217
  713   2H5*    G  66          2H5*        G  66  -2.961 -39.824  32.790
  714    H4*    G  66           H4*        G  66  -2.572 -38.158  35.196
  715    H3*    G  66           H3*        G  66  -0.774 -39.074  33.149
  716    H2*    G  66           H2*        G  66  -0.006 -41.005  34.261
  717   2HO*    G  66          2HO*        G  66   1.522 -40.615  35.725
  718    H1*    G  66           H1*        G  66  -0.881 -39.912  36.972
  719    H8     G  66           H8         G  66  -2.270 -43.024  35.143
  720    H1     G  66           H1         G  66   1.281 -44.070  40.377
  721   1H2     G  66          1H2         G  66   2.170 -42.136  41.128
  722   2H2     G  66          2H2         G  66   1.841 -40.672  40.297
  723   1H5*    C  67          1H5*        C  67   1.656 -38.735  31.896
  724   2H5*    C  67          2H5*        C  67   1.365 -38.544  33.625
  725    H4*    C  67           H4*        C  67   3.158 -36.946  31.860
  726    H3*    C  67           H3*        C  67   3.840 -39.061  33.924
  727    H2*    C  67           H2*        C  67   5.748 -37.653  34.609
  728   2HO*    C  67          2HO*        C  67   6.464 -37.016  32.679
  729    H1*    C  67           H1*        C  67   4.473 -35.267  34.723
  730   1H4     C  67          1H4         C  67   3.584 -37.301  40.615
  731   2H4     C  67          2H4         C  67   2.258 -38.300  40.124
  732    H5     C  67           H5         C  67   1.584 -38.569  37.812
  733    H6     C  67           H6         C  67   2.086 -37.902  35.505
  734   1H5*    G  68          1H5*        G  68   7.553 -39.385  31.715
  735   2H5*    G  68          2H5*        G  68   8.066 -41.033  32.074
  736    H4*    G  68           H4*        G  68   9.456 -39.175  32.932
  737    H3*    G  68           H3*        G  68   8.542 -41.420  34.795
  738    H2*    G  68           H2*        G  68   9.817 -40.259  36.575
  739   2HO*    G  68          2HO*        G  68  11.291 -38.830  36.216
  740    H1*    G  68           H1*        G  68   8.976 -37.724  36.005
  741    H8     G  68           H8         G  68   5.898 -39.891  35.493
  742    H1     G  68           H1         G  68   7.147 -38.382  41.598
  743   1H2     G  68          1H2         G  68   9.191 -37.442  41.776
  744   2H2     G  68          2H2         G  68  10.153 -37.230  40.372
  745   1H5*    U  69          1H5*        U  69  12.903 -41.029  35.317
  746   2H5*    U  69          2H5*        U  69  13.401 -42.652  35.793
  747    H4*    U  69           H4*        U  69  13.974 -40.772  37.298
  748    H3*    U  69           H3*        U  69  12.610 -43.279  38.392
  749    H2*    U  69           H2*        U  69  12.743 -42.203  40.618
  750   2HO*    U  69          2HO*        U  69  13.975 -40.547  41.057
  751    H1*    U  69           H1*        U  69  11.950 -39.703  39.843
  752    H3     U  69           H3         U  69   8.381 -41.139  42.121
  753    H5     U  69           H5         U  69   8.006 -42.980  38.372
  754    H6     U  69           H6         U  69  10.190 -42.138  37.816
  755   1H5*    C  70          1H5*        C  70  15.869 -43.387  41.060
  756   2H5*    C  70          2H5*        C  70  16.390 -45.068  40.953
  757    H4*    C  70           H4*        C  70  15.910 -44.415  43.174
  758    H3*    C  70           H3*        C  70  14.094 -46.599  42.042
  759    H2*    C  70           H2*        C  70  12.924 -46.637  44.155
  760   2HO*    C  70          2HO*        C  70  13.746 -45.912  46.003
  761    H1*    C  70           H1*        C  70  13.157 -43.907  44.781
  762   1H4     C  70          1H4         C  70   7.061 -44.606  43.260
  763   2H4     C  70          2H4         C  70   7.434 -44.427  41.578
  764    H5     C  70           H5         C  70   9.698 -44.265  40.731
  765    H6     C  70           H6         C  70  12.066 -44.247  41.376
  766    H3T    C  70           H3T        C  70  15.475 -47.362  44.026
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   2.550 -49.307  56.777
    2   2H5*    G   1          2H5*        G   1   2.585 -50.230  55.255
    3    H4*    G   1           H4*        G   1   4.878 -49.653  57.085
    4    H3*    G   1           H3*        G   1   4.099 -48.242  54.510
    5    H2*    G   1           H2*        G   1   6.507 -48.155  53.950
    6   2HO*    G   1          2HO*        G   1   8.061 -48.568  55.341
    7    H1*    G   1           H1*        G   1   7.135 -50.718  54.565
    8    H8     G   1           H8         G   1   3.625 -51.007  53.156
    9    H1     G   1           H1         G   1   8.267 -50.539  48.759
   10   1H2     G   1          1H2         G   1  10.223 -49.978  49.732
   11   2H2     G   1          2H2         G   1  10.290 -49.747  51.431
   12    H5T    G   1           H5T        G   1   1.964 -51.515  57.062
   13   1H5*    A   2          1H5*        A   2   7.484 -46.197  55.943
   14   2H5*    A   2          2H5*        A   2   7.022 -44.496  55.866
   15    H4*    A   2           H4*        A   2   9.121 -44.902  54.847
   16    H3*    A   2           H3*        A   2   6.936 -43.903  52.955
   17    H2*    A   2           H2*        A   2   8.642 -43.937  51.178
   18   2HO*    A   2          2HO*        A   2  10.725 -44.029  51.535
   19    H1*    A   2           H1*        A   2   9.822 -46.325  51.866
   20    H8     A   2           H8         A   2   6.151 -47.043  52.244
   21   1H6     A   2          1H6         A   2   6.032 -47.948  46.142
   22   2H6     A   2          2H6         A   2   5.154 -48.108  47.624
   23    H2     A   2           H2         A   2   9.993 -46.134  47.216
   24   1H5*    C   3          1H5*        C   3  10.078 -41.496  51.923
   25   2H5*    C   3          2H5*        C   3   9.426 -39.859  51.869
   26    H4*    C   3           H4*        C   3  10.546 -40.460  49.869
   27    H3*    C   3           H3*        C   3   7.556 -39.893  49.571
   28    H2*    C   3           H2*        C   3   7.795 -40.328  47.193
   29   2HO*    C   3          2HO*        C   3   9.599 -40.168  46.128
   30    H1*    C   3           H1*        C   3   9.692 -42.372  47.368
   31   1H4     C   3          1H4         C   3   4.256 -45.325  46.001
   32   2H4     C   3          2H4         C   3   3.930 -45.521  47.690
   33    H5     C   3           H5         C   3   5.299 -44.534  49.430
   34    H6     C   3           H6         C   3   7.276 -43.144  49.856
   35   1H5*    G   4          1H5*        G   4   9.478 -37.309  46.570
   36   2H5*    G   4          2H5*        G   4   8.619 -35.789  46.820
   37    H4*    G   4           H4*        G   4   8.724 -36.477  44.522
   38    H3*    G   4           H3*        G   4   5.945 -36.150  45.740
   39    H2*    G   4           H2*        G   4   5.048 -36.752  43.511
   40   2HO*    G   4          2HO*        G   4   6.157 -36.691  41.746
   41    H1*    G   4           H1*        G   4   6.715 -38.851  43.015
   42    H8     G   4           H8         G   4   6.002 -39.205  46.711
   43    H1     G   4           H1         G   4   1.303 -41.300  42.884
   44   1H2     G   4          1H2         G   4   1.672 -40.651  40.754
   45   2H2     G   4          2H2         G   4   3.068 -39.730  40.378
   46   1H5*    G   5          1H5*        G   5   3.459 -32.818  42.923
   47   2H5*    G   5          2H5*        G   5   2.910 -34.113  43.986
   48    H4*    G   5           H4*        G   5   3.505 -34.293  41.071
   49    H3*    G   5           H3*        G   5   0.807 -34.015  42.447
   50    H2*    G   5           H2*        G   5  -0.081 -35.625  40.790
   51   2HO*    G   5          2HO*        G   5   0.948 -36.193  39.023
   52    H1*    G   5           H1*        G   5   1.924 -37.446  40.922
   53    H8     G   5           H8         G   5   2.016 -36.744  44.512
   54    H1     G   5           H1         G   5  -3.408 -39.680  42.761
   55   1H2     G   5          1H2         G   5  -3.662 -39.600  40.520
   56   2H2     G   5          2H2         G   5  -2.472 -38.823  39.560
   57   1H5*    C   6          1H5*        C   6  -0.616 -33.914  38.843
   58   2H5*    C   6          2H5*        C   6  -1.502 -32.396  38.687
   59    H4*    C   6           H4*        C   6  -2.868 -34.212  38.095
   60    H3*    C   6           H3*        C   6  -3.756 -32.778  40.639
   61    H2*    C   6           H2*        C   6  -5.651 -34.372  40.713
   62   2HO*    C   6          2HO*        C   6  -6.197 -34.408  38.629
   63    H1*    C   6           H1*        C   6  -4.233 -36.633  40.156
   64   1H4     C   6          1H4         C   6  -4.239 -36.500  46.478
   65   2H4     C   6          2H4         C   6  -2.756 -35.605  46.479
   66    H5     C   6           H5         C   6  -1.708 -34.768  44.460
   67    H6     C   6           H6         C   6  -1.915 -34.644  42.018
   68   1H5*    U   7          1H5*        U   7  -6.808 -31.143  38.168
   69   2H5*    U   7          2H5*        U   7  -6.876 -29.401  38.435
   70    H4*    U   7           H4*        U   7  -8.858 -30.479  39.132
   71    H3*    U   7           H3*        U   7  -7.262 -29.170  41.388
   72    H2*    U   7           H2*        U   7  -9.054 -29.887  42.906
   73   2HO*    U   7          2HO*        U   7 -10.988 -30.447  42.279
   74    H1*    U   7           H1*        U   7  -9.480 -32.384  41.807
   75    H3     U   7           H3         U   7  -7.807 -33.467  45.801
   76    H5     U   7           H5         U   7  -4.451 -32.231  43.612
   77    H6     U   7           H6         U   7  -5.937 -31.558  41.843
   78   1H5*    U   8          1H5*        U   8 -11.284 -27.847  41.720
   79   2H5*    U   8          2H5*        U   8 -11.229 -26.174  42.275
   80    H4*    U   8           H4*        U   8 -12.599 -27.671  43.600
   81    H3*    U   8           H3*        U   8 -10.351 -26.151  45.014
   82    H2*    U   8           H2*        U   8 -11.095 -27.214  47.090
   83   2HO*    U   8          2HO*        U   8 -13.002 -28.149  47.338
   84    H1*    U   8           H1*        U   8 -11.673 -29.713  46.035
   85    H3     U   8           H3         U   8  -8.264 -30.440  48.880
   86    H5     U   8           H5         U   8  -6.440 -29.081  45.357
   87    H6     U   8           H6         U   8  -8.630 -28.578  44.498
   88   1H5*    G   9          1H5*        G   9 -14.194 -25.683  47.034
   89   2H5*    G   9          2H5*        G   9 -14.230 -24.025  47.634
   90    H4*    G   9           H4*        G   9 -14.864 -25.699  49.265
   91    H3*    G   9           H3*        G   9 -12.542 -23.848  49.924
   92    H2*    G   9           H2*        G   9 -12.337 -25.052  52.077
   93   2HO*    G   9          2HO*        G   9 -13.815 -26.387  52.831
   94    H1*    G   9           H1*        G   9 -12.524 -27.581  51.112
   95    H8     G   9           H8         G   9 -10.591 -25.692  48.432
   96    H1     G   9           H1         G   9  -7.090 -27.661  53.428
   97   1H2     G   9          1H2         G   9  -8.427 -28.412  55.083
   98   2H2     G   9          2H2         G   9 -10.129 -28.392  54.872
   99   1H5*    C  10          1H5*        C  10 -14.574 -23.893  53.486
  100   2H5*    C  10          2H5*        C  10 -14.830 -22.194  53.883
  101    H4*    C  10           H4*        C  10 -13.878 -23.260  55.712
  102    H3*    C  10           H3*        C  10 -11.934 -21.335  54.358
  103    H2*    C  10           H2*        C  10 -10.308 -21.953  56.122
  104   2HO*    C  10          2HO*        C  10 -10.825 -22.948  57.906
  105    H1*    C  10           H1*        C  10 -10.733 -24.647  56.062
  106   1H4     C  10          1H4         C  10  -5.920 -24.044  52.028
  107   2H4     C  10          2H4         C  10  -6.996 -23.625  50.739
  108    H5     C  10           H5         C  10  -9.380 -23.315  51.047
  109    H6     C  10           H6         C  10 -11.193 -23.358  52.702
  110   1H5*    U  11          1H5*        U  11 -11.579 -20.235  58.277
  111   2H5*    U  11          2H5*        U  11 -11.442 -18.477  58.325
  112    H4*    U  11           H4*        U  11  -9.589 -19.549  59.345
  113    H3*    U  11           H3*        U  11  -8.931 -17.901  56.857
  114    H2*    U  11           H2*        U  11  -6.562 -18.506  57.260
  115   2HO*    U  11          2HO*        U  11  -5.841 -19.310  59.072
  116    H1*    U  11           H1*        U  11  -6.966 -21.152  57.799
  117    H3     U  11           H3         U  11  -5.113 -21.409  53.752
  118    H5     U  11           H5         U  11  -9.069 -20.259  52.968
  119    H6     U  11           H6         U  11  -9.399 -20.024  55.340
  120   1H5*    G  12          1H5*        G  12  -6.251 -16.924  59.841
  121   2H5*    G  12          2H5*        G  12  -5.945 -15.187  59.817
  122    H4*    G  12           H4*        G  12  -3.993 -16.697  59.741
  123    H3*    G  12           H3*        G  12  -4.345 -14.395  57.841
  124    H2*    G  12           H2*        G  12  -2.767 -15.168  56.330
  125   2HO*    G  12          2HO*        G  12  -0.847 -15.875  56.925
  126    H1*    G  12           H1*        G  12  -2.425 -17.855  57.483
  127    H8     G  12           H8         G  12  -5.501 -17.904  55.428
  128    H1     G  12           H1         G  12  -0.144 -18.237  51.922
  129   1H2     G  12          1H2         G  12   1.653 -17.696  53.174
  130   2H2     G  12          2H2         G  12   1.443 -17.278  54.823
  131   1H5*    A  13          1H5*        A  13  -1.721 -10.785  61.157
  132   2H5*    A  13          2H5*        A  13  -3.020 -10.918  59.972
  133    H4*    A  13           H4*        A  13  -0.255 -11.998  59.784
  134    H3*    A  13           H3*        A  13  -1.406  -9.488  58.644
  135    H2*    A  13           H2*        A  13  -1.035 -10.060  56.438
  136   2HO*    A  13          2HO*        A  13   0.923 -10.949  55.796
  137    H1*    A  13           H1*        A  13  -0.032 -12.810  56.960
  138    H8     A  13           H8         A  13  -3.773 -12.045  56.509
  139   1H6     A  13          1H6         A  13  -2.988 -14.169  50.771
  140   2H6     A  13          2H6         A  13  -4.136 -13.622  51.945
  141    H2     A  13           H2         A  13   1.037 -13.923  52.740
  142   1H5*    A  14          1H5*        A  14   1.284  -6.061  58.753
  143   2H5*    A  14          2H5*        A  14  -0.104  -5.798  57.698
  144    H4*    A  14           H4*        A  14   2.132  -7.743  57.467
  145    H3*    A  14           H3*        A  14   1.725  -5.336  56.084
  146    H2*    A  14           H2*        A  14   0.073  -6.108  54.531
  147   2HO*    A  14          2HO*        A  14   2.304  -7.457  53.506
  148    H1*    A  14           H1*        A  14   1.262  -8.915  54.635
  149    H8     A  14           H8         A  14  -2.303  -7.995  55.738
  150   1H6     A  14          1H6         A  14  -4.070 -10.954  50.621
  151   2H6     A  14          2H6         A  14  -4.599 -10.178  52.074
  152    H2     A  14           H2         A  14   0.409 -10.677  50.608
  153   1H5*    G  15          1H5*        G  15   5.120  -4.873  52.320
  154   2H5*    G  15          2H5*        G  15   3.497  -5.531  52.112
  155    H4*    G  15           H4*        G  15   6.069  -6.957  51.580
  156    H3*    G  15           H3*        G  15   4.388  -5.388  49.626
  157    H2*    G  15           H2*        G  15   4.583  -7.242  48.040
  158   2HO*    G  15          2HO*        G  15   6.013  -8.793  48.184
  159    H1*    G  15           H1*        G  15   4.081  -9.337  49.675
  160    H8     G  15           H8         G  15   1.618  -7.413  51.438
  161    H1     G  15           H1         G  15  -0.074  -8.261  45.312
  162   1H2     G  15          1H2         G  15   1.701  -8.928  44.089
  163   2H2     G  15          2H2         G  15   3.225  -9.134  44.847
  164   1H5*    C  16          1H5*        C  16   7.741  -5.428  47.214
  165   2H5*    C  16          2H5*        C  16   8.024  -3.772  46.679
  166    H4*    C  16           H4*        C  16   7.645  -5.256  44.865
  167    H3*    C  16           H3*        C  16   5.564  -3.042  45.199
  168    H2*    C  16           H2*        C  16   4.490  -3.947  43.158
  169   2HO*    C  16          2HO*        C  16   5.427  -5.300  41.831
  170    H1*    C  16           H1*        C  16   4.666  -6.592  43.818
  171   1H4     C  16          1H4         C  16  -1.096  -4.956  45.862
  172   2H4     C  16          2H4         C  16  -0.453  -4.609  47.431
  173    H5     C  16           H5         C  16   1.918  -4.651  47.934
  174    H6     C  16           H6         C  16   4.145  -5.046  46.984
  175   1H5*    G  17          1H5*        G  17   6.465  -2.962  41.035
  176   2H5*    G  17          2H5*        G  17   6.754  -1.245  40.751
  177    H4*    G  17           H4*        G  17   5.235  -2.062  39.177
  178    H3*    G  17           H3*        G  17   3.974  -0.116  41.160
  179    H2*    G  17           H2*        G  17   1.860  -0.415  39.905
  180   2HO*    G  17          2HO*        G  17   1.740  -1.285  37.985
  181    H1*    G  17           H1*        G  17   1.973  -3.126  39.661
  182    H8     G  17           H8         G  17   3.320  -2.157  43.127
  183    H1     G  17           H1         G  17  -3.036  -2.889  42.711
  184   1H2     G  17          1H2         G  17  -3.664  -3.139  40.559
  185   2H2     G  17          2H2         G  17  -2.476  -3.114  39.321
  186   1H5*    C  18          1H5*        C  18   2.746   1.088  37.231
  187   2H5*    C  18          2H5*        C  18   2.738   2.851  37.277
  188    H4*    C  18           H4*        C  18   0.682   1.916  36.502
  189    H3*    C  18           H3*        C  18   0.522   3.585  39.059
  190    H2*    C  18           H2*        C  18  -1.914   3.180  39.008
  191   2HO*    C  18          2HO*        C  18  -2.966   2.544  37.313
  192    H1*    C  18           H1*        C  18  -1.814   0.522  38.336
  193   1H4     C  18          1H4         C  18  -2.328   0.176  44.610
  194   2H4     C  18          2H4         C  18  -0.657   0.573  44.823
  195    H5     C  18           H5         C  18   0.816   1.150  42.986
  196    H6     C  18           H6         C  18   0.935   1.453  40.554
  197   1H5*    G  19          1H5*        G  19  -2.528   5.397  36.595
  198   2H5*    G  19          2H5*        G  19  -2.490   7.087  37.101
  199    H4*    G  19           H4*        G  19  -4.632   5.992  37.357
  200    H3*    G  19           H3*        G  19  -3.353   7.213  39.851
  201    H2*    G  19           H2*        G  19  -5.383   6.496  41.068
  202   2HO*    G  19          2HO*        G  19  -7.185   5.944  40.136
  203    H1*    G  19           H1*        G  19  -5.585   3.999  39.966
  204    H8     G  19           H8         G  19  -1.866   4.617  40.555
  205    H1     G  19           H1         G  19  -5.140   2.577  45.677
  206   1H2     G  19          1H2         G  19  -7.358   2.616  45.263
  207   2H2     G  19          2H2         G  19  -7.925   3.144  43.733
  208   1H5*    C  20          1H5*        C  20  -7.103   9.393  39.944
  209   2H5*    C  20          2H5*        C  20  -6.579  10.981  40.506
  210    H4*    C  20           H4*        C  20  -8.253   9.952  41.892
  211    H3*    C  20           H3*        C  20  -5.584  10.634  43.215
  212    H2*    C  20           H2*        C  20  -6.578   9.785  45.320
  213   2HO*    C  20          2HO*        C  20  -8.534  10.548  45.315
  214    H1*    C  20           H1*        C  20  -7.724   7.535  44.279
  215   1H4     C  20          1H4         C  20  -2.231   4.999  45.980
  216   2H4     C  20          2H4         C  20  -1.328   6.062  44.954
  217    H5     C  20           H5         C  20  -2.355   7.789  43.599
  218    H6     C  20           H6         C  20  -4.494   8.821  42.981
  219   1H5*    A  21          1H5*        A  21  -8.716  12.993  45.713
  220   2H5*    A  21          2H5*        A  21  -7.749  14.457  45.890
  221    H4*    A  21           H4*        A  21  -8.738  13.575  47.939
  222    H3*    A  21           H3*        A  21  -5.725  14.049  47.833
  223    H2*    A  21           H2*        A  21  -5.655  13.268  50.182
  224   2HO*    A  21          2HO*        A  21  -7.382  13.036  51.403
  225    H1*    A  21           H1*        A  21  -7.285  11.104  49.885
  226    H8     A  21           H8         A  21  -5.346  11.037  46.669
  227   1H6     A  21          1H6         A  21  -0.830   8.265  49.831
  228   2H6     A  21          2H6         A  21  -1.412   8.701  48.260
  229    H2     A  21           H2         A  21  -3.865   9.794  52.763
  230   1H5*    C  22          1H5*        C  22  -6.937  15.507  51.578
  231   2H5*    C  22          2H5*        C  22  -6.195  17.104  51.668
  232    H4*    C  22           H4*        C  22  -5.831  15.621  53.580
  233    H3*    C  22           H3*        C  22  -3.415  16.862  52.176
  234    H2*    C  22           H2*        C  22  -2.023  15.712  53.871
  235   2HO*    C  22          2HO*        C  22  -2.776  14.907  55.666
  236    H1*    C  22           H1*        C  22  -3.319  13.306  53.809
  237   1H4     C  22          1H4         C  22   1.530  12.819  49.708
  238   2H4     C  22          2H4         C  22   0.372  12.818  48.421
  239    H5     C  22           H5         C  22  -1.989  13.253  48.759
  240    H6     C  22           H6         C  22  -3.691  13.781  50.446
  241   1H5*    G  23          1H5*        G  23  -2.818  17.723  56.159
  242   2H5*    G  23          2H5*        G  23  -2.408  19.432  56.293
  243    H4*    G  23           H4*        G  23  -0.914  17.861  57.423
  244    H3*    G  23           H3*        G  23   0.262  19.865  55.435
  245    H2*    G  23           H2*        G  23   2.472  18.914  55.998
  246   2HO*    G  23          2HO*        G  23   2.856  17.752  57.703
  247    H1*    G  23           H1*        G  23   1.733  16.275  55.979
  248    H8     G  23           H8         G  23  -0.166  17.296  52.981
  249    H1     G  23           H1         G  23   6.172  17.301  52.012
  250   1H2     G  23          1H2         G  23   7.271  17.182  53.979
  251   2H2     G  23          2H2         G  23   6.383  17.104  55.444
  252   1H5*    G  24          1H5*        G  24   2.636  21.019  58.746
  253   2H5*    G  24          2H5*        G  24   2.814  22.760  58.530
  254    H4*    G  24           H4*        G  24   4.875  21.444  58.506
  255    H3*    G  24           H3*        G  24   4.271  23.307  56.159
  256    H2*    G  24           H2*        G  24   6.450  22.599  55.223
  257   2HO*    G  24          2HO*        G  24   7.957  21.651  56.334
  258    H1*    G  24           H1*        G  24   6.201  19.925  55.749
  259    H8     G  24           H8         G  24   2.716  20.702  54.635
  260    H1     G  24           H1         G  24   6.966  20.508  49.838
  261   1H2     G  24          1H2         G  24   9.073  20.504  50.649
  262   2H2     G  24          2H2         G  24   9.328  20.547  52.344
  263   1H5*    C  25          1H5*        C  25   8.284  24.465  57.162
  264   2H5*    C  25          2H5*        C  25   8.189  26.224  57.086
  265    H4*    C  25           H4*        C  25   9.951  25.313  55.753
  266    H3*    C  25           H3*        C  25   7.796  26.877  54.253
  267    H2*    C  25           H2*        C  25   9.126  26.464  52.206
  268   2HO*    C  25          2HO*        C  25  11.133  25.825  52.212
  269    H1*    C  25           H1*        C  25   9.684  23.829  52.682
  270   1H4     C  25          1H4         C  25   4.516  23.529  49.054
  271   2H4     C  25          2H4         C  25   3.499  23.605  50.453
  272    H5     C  25           H5         C  25   4.350  23.966  52.694
  273    H6     C  25           H6         C  25   6.388  24.325  54.013
  274   1H5*    A  26          1H5*        A  26  11.659  28.370  52.891
  275   2H5*    A  26          2H5*        A  26  11.368  30.101  52.711
  276    H4*    A  26           H4*        A  26  12.322  29.050  50.768
  277    H3*    A  26           H3*        A  26   9.622  30.439  50.415
  278    H2*    A  26           H2*        A  26   9.784  29.821  48.021
  279   2HO*    A  26          2HO*        A  26  11.567  29.144  47.092
  280    H1*    A  26           H1*        A  26  10.630  27.249  48.385
  281    H8     A  26           H8         A  26   8.059  27.941  51.109
  282   1H6     A  26          1H6         A  26   3.830  26.208  46.965
  283   2H6     A  26          2H6         A  26   4.119  26.623  48.620
  284    H2     A  26           H2         A  26   7.788  26.544  44.877
  285   1H5*    A  27          1H5*        A  27  12.313  32.086  47.292
  286   2H5*    A  27          2H5*        A  27  11.543  33.614  46.866
  287    H4*    A  27           H4*        A  27  11.876  31.804  45.128
  288    H3*    A  27           H3*        A  27   9.303  33.435  45.375
  289    H2*    A  27           H2*        A  27   8.458  32.113  43.456
  290   2HO*    A  27          2HO*        A  27  10.070  31.989  42.130
  291    H1*    A  27           H1*        A  27   9.316  29.667  44.317
  292    H8     A  27           H8         A  27   8.184  31.146  47.553
  293   1H6     A  27          1H6         A  27   2.423  29.724  45.865
  294   2H6     A  27          2H6         A  27   3.441  30.248  47.163
  295    H2     A  27           H2         A  27   5.100  29.205  42.300
  296   1H5*    G  28          1H5*        G  28  10.192  34.656  41.131
  297   2H5*    G  28          2H5*        G  28   9.163  36.088  41.094
  298    H4*    G  28           H4*        G  28   8.676  34.009  39.652
  299    H3*    G  28           H3*        G  28   6.586  35.790  40.960
  300    H2*    G  28           H2*        G  28   4.874  34.221  40.107
  301   2HO*    G  28          2HO*        G  28   5.262  32.720  38.651
  302    H1*    G  28           H1*        G  28   6.090  31.906  40.824
  303    H8     G  28           H8         G  28   7.163  33.619  43.859
  304    H1     G  28           H1         G  28   0.800  32.855  43.666
  305   1H2     G  28          1H2         G  28   0.133  32.314  41.579
  306   2H2     G  28          2H2         G  28   1.297  32.164  40.329
  307   1H5*    A  29          1H5*        A  29   5.211  36.662  36.794
  308   2H5*    A  29          2H5*        A  29   5.011  38.407  36.944
  309    H4*    A  29           H4*        A  29   3.040  37.166  36.248
  310    H3*    A  29           H3*        A  29   2.837  38.950  38.726
  311    H2*    A  29           H2*        A  29   0.475  38.291  38.854
  312   2HO*    A  29          2HO*        A  29  -0.519  37.163  37.219
  313    H1*    A  29           H1*        A  29   0.805  35.629  38.202
  314    H8     A  29           H8         A  29   3.498  35.544  40.569
  315   1H6     A  29          1H6         A  29  -0.529  36.229  45.193
  316   2H6     A  29          2H6         A  29   1.091  35.795  44.765
  317    H2     A  29           H2         A  29  -2.606  37.275  41.355
  318   1H5*    G  30          1H5*        G  30   0.096  40.516  37.123
  319   2H5*    G  30          2H5*        G  30   0.349  42.066  36.321
  320    H4*    G  30           H4*        G  30  -0.677  43.251  37.908
  321    H3*    G  30           H3*        G  30   0.650  42.078  39.934
  322    H2*    G  30           H2*        G  30  -0.543  39.913  39.921
  323   2HO*    G  30          2HO*        G  30  -0.708  40.732  41.950
  324    H1*    G  30           H1*        G  30  -3.160  41.437  39.717
  325    H8     G  30           H8         G  30  -1.936  38.993  37.008
  326    H1     G  30           H1         G  30  -6.430  36.751  40.993
  327   1H2     G  30          1H2         G  30  -6.790  38.210  42.678
  328   2H2     G  30          2H2         G  30  -5.900  39.674  42.735
  329   1H5*    G  31          1H5*        G  31  -1.277  46.072  42.364
  330   2H5*    G  31          2H5*        G  31  -0.193  45.580  43.664
  331    H4*    G  31           H4*        G  31  -2.319  44.050  42.265
  332    H3*    G  31           H3*        G  31  -2.204  45.179  44.936
  333    H2*    G  31           H2*        G  31  -1.548  43.220  46.037
  334   2HO*    G  31          2HO*        G  31  -3.111  41.703  46.261
  335    H1*    G  31           H1*        G  31  -2.346  41.454  43.685
  336    H8     G  31           H8         G  31  -1.834  39.225  44.879
  337    H1     G  31           H1         G  31   4.076  41.286  46.265
  338   1H2     G  31          1H2         G  31   4.300  43.465  45.722
  339   2H2     G  31          2H2         G  31   2.972  44.310  45.042
  340   1H5*    C  32          1H5*        C  32  -6.027  44.572  42.634
  341   2H5*    C  32          2H5*        C  32  -7.429  45.510  43.151
  342    H4*    C  32           H4*        C  32  -8.079  43.379  42.411
  343    H3*    C  32           H3*        C  32  -8.517  43.829  45.403
  344    H2*    C  32           H2*        C  32  -9.498  41.555  45.450
  345   2HO*    C  32          2HO*        C  32 -10.672  41.599  43.649
  346    H1*    C  32           H1*        C  32  -7.604  40.329  43.911
  347   1H4     C  32          1H4         C  32  -5.503  39.320  49.788
  348   2H4     C  32          2H4         C  32  -4.596  40.794  49.740
  349    H5     C  32           H5         C  32  -4.723  42.372  47.904
  350    H6     C  32           H6         C  32  -5.777  42.814  45.732
  351   1H5*    G  33          1H5*        G  33 -12.569  43.222  44.966
  352   2H5*    G  33          2H5*        G  33 -13.254  44.638  45.764
  353    H4*    G  33           H4*        G  33 -13.970  42.652  46.820
  354    H3*    G  33           H3*        G  33 -12.204  44.443  48.528
  355    H2*    G  33           H2*        G  33 -12.414  42.757  50.325
  356   2HO*    G  33          2HO*        G  33 -13.841  41.194  50.321
  357    H1*    G  33           H1*        G  33 -11.956  40.544  48.829
  358    H8     G  33           H8         G  33  -9.590  42.874  47.117
  359    H1     G  33           H1         G  33  -7.549  40.890  52.863
  360   1H2     G  33          1H2         G  33  -9.228  39.891  53.994
  361   2H2     G  33          2H2         G  33 -10.777  39.760  53.273
  362   1H5*    U  34          1H5*        U  34 -15.318  43.188  51.082
  363   2H5*    U  34          2H5*        U  34 -15.880  44.677  51.840
  364    H4*    U  34           H4*        U  34 -15.454  42.974  53.430
  365    H3*    U  34           H3*        U  34 -13.657  45.437  53.663
  366    H2*    U  34           H2*        U  34 -12.647  44.334  55.635
  367   2HO*    U  34          2HO*        U  34 -13.505  42.665  56.627
  368    H1*    U  34           H1*        U  34 -12.437  41.826  54.561
  369    H3     U  34           H3         U  34  -8.153  43.062  54.616
  370    H5     U  34           H5         U  34  -9.742  45.116  51.323
  371    H6     U  34           H6         U  34 -11.922  44.334  51.973
  372   1H5*    C  35          1H5*        C  35 -14.769  44.830  57.676
  373   2H5*    C  35          2H5*        C  35 -15.404  46.416  58.118
  374    H4*    C  35           H4*        C  35 -13.886  45.780  59.726
  375    H3*    C  35           H3*        C  35 -12.737  47.996  57.957
  376    H2*    C  35           H2*        C  35 -10.734  47.920  59.371
  377   2HO*    C  35          2HO*        C  35 -10.667  47.008  61.297
  378    H1*    C  35           H1*        C  35 -10.613  45.174  59.681
  379   1H4     C  35          1H4         C  35  -6.340  46.225  55.154
  380   2H4     C  35          2H4         C  35  -7.578  46.297  53.945
  381    H5     C  35           H5         C  35  -9.944  46.192  54.460
  382    H6     C  35           H6         C  35 -11.575  45.995  56.282
  383    H3T    C  35           H3T        C  35 -13.018  48.681  60.375
  384   1H5*    G  36          1H5*        G  36   3.736  45.112  58.688
  385   2H5*    G  36          2H5*        G  36   2.573  46.052  57.723
  386    H4*    G  36           H4*        G  36   2.398  45.379  60.630
  387    H3*    G  36           H3*        G  36   1.031  44.024  58.279
  388    H2*    G  36           H2*        G  36  -1.000  43.868  59.683
  389   2HO*    G  36          2HO*        G  36  -1.019  44.209  61.781
  390    H1*    G  36           H1*        G  36  -0.999  46.400  60.644
  391    H8     G  36           H8         G  36   0.312  46.828  57.110
  392    H1     G  36           H1         G  36  -6.057  46.243  57.570
  393   1H2     G  36          1H2         G  36  -6.643  45.601  59.653
  394   2H2     G  36          2H2         G  36  -5.427  45.348  60.836
  395    H5T    G  36           H5T        G  36   4.313  47.335  58.518
  396   1H5*    A  37          1H5*        A  37  -0.189  41.810  61.642
  397   2H5*    A  37          2H5*        A  37   0.116  40.139  61.170
  398    H4*    A  37           H4*        A  37  -2.071  40.422  62.008
  399    H3*    A  37           H3*        A  37  -1.938  39.645  59.053
  400    H2*    A  37           H2*        A  37  -4.403  39.616  59.087
  401   2HO*    A  37          2HO*        A  37  -5.565  39.553  60.854
  402    H1*    A  37           H1*        A  37  -4.763  41.893  60.584
  403    H8     A  37           H8         A  37  -1.975  42.778  58.199
  404   1H6     A  37          1H6         A  37  -6.382  44.029  54.067
  405   2H6     A  37          2H6         A  37  -4.694  44.143  54.430
  406    H2     A  37           H2         A  37  -8.288  41.986  57.579
  407   1H5*    C  38          1H5*        C  38  -4.778  37.079  60.522
  408   2H5*    C  38          2H5*        C  38  -4.392  35.491  59.859
  409    H4*    C  38           H4*        C  38  -6.639  36.176  59.443
  410    H3*    C  38           H3*        C  38  -4.896  35.704  56.975
  411    H2*    C  38           H2*        C  38  -6.820  36.267  55.606
  412   2HO*    C  38          2HO*        C  38  -8.816  36.112  56.239
  413    H1*    C  38           H1*        C  38  -7.905  38.241  57.264
  414   1H4     C  38          1H4         C  38  -5.281  41.413  52.447
  415   2H4     C  38          2H4         C  38  -3.803  41.551  53.338
  416    H5     C  38           H5         C  38  -3.427  40.449  55.465
  417    H6     C  38           H6         C  38  -4.440  38.980  57.149
  418   1H5*    G  39          1H5*        G  39  -8.483  33.309  56.286
  419   2H5*    G  39          2H5*        G  39  -7.810  31.788  55.700
  420    H4*    G  39           H4*        G  39  -9.576  32.692  54.331
  421    H3*    G  39           H3*        G  39  -6.861  32.245  53.000
  422    H2*    G  39           H2*        G  39  -7.923  33.034  50.906
  423   2HO*    G  39          2HO*        G  39  -9.993  33.152  50.609
  424    H1*    G  39           H1*        G  39  -9.250  35.169  51.972
  425    H8     G  39           H8         G  39  -5.978  35.283  53.836
  426    H1     G  39           H1         G  39  -5.663  37.508  47.830
  427   1H2     G  39          1H2         G  39  -7.543  36.986  46.696
  428   2H2     G  39          2H2         G  39  -8.792  36.111  47.480
  429   1H5*    G  40          1H5*        G  40  -7.353  29.152  49.178
  430   2H5*    G  40          2H5*        G  40  -6.168  30.401  49.561
  431    H4*    G  40           H4*        G  40  -8.685  30.709  47.995
  432    H3*    G  40           H3*        G  40  -5.836  30.404  46.976
  433    H2*    G  40           H2*        G  40  -6.387  32.094  45.255
  434   2HO*    G  40          2HO*        G  40  -8.363  32.726  44.807
  435    H1*    G  40           H1*        G  40  -7.634  33.882  46.871
  436    H8     G  40           H8         G  40  -5.098  33.007  49.368
  437    H1     G  40           H1         G  40  -2.599  36.143  44.365
  438   1H2     G  40          1H2         G  40  -4.060  36.176  42.644
  439   2H2     G  40          2H2         G  40  -5.589  35.421  42.816
  440   1H5*    C  41          1H5*        C  41  -7.478  30.484  43.473
  441   2H5*    C  41          2H5*        C  41  -7.029  28.986  42.658
  442    H4*    C  41           H4*        C  41  -6.477  30.831  41.326
  443    H3*    C  41           H3*        C  41  -4.046  29.314  42.375
  444    H2*    C  41           H2*        C  41  -2.660  30.925  41.104
  445   2HO*    C  41          2HO*        C  41  -3.796  31.049  39.279
  446    H1*    C  41           H1*        C  41  -3.992  33.189  41.832
  447   1H4     C  41          1H4         C  41   0.596  32.804  46.166
  448   2H4     C  41          2H4         C  41  -0.442  31.896  47.213
  449    H5     C  41           H5         C  41  -2.646  31.130  46.557
  450    H6     C  41           H6         C  41  -4.278  31.105  44.725
  451   1H5*    U  42          1H5*        U  42  -3.757  27.826  38.404
  452   2H5*    U  42          2H5*        U  42  -3.549  26.076  38.474
  453    H4*    U  42           H4*        U  42  -1.659  27.159  37.554
  454    H3*    U  42           H3*        U  42  -1.145  25.732  40.212
  455    H2*    U  42           H2*        U  42   1.201  26.415  39.984
  456   2HO*    U  42          2HO*        U  42   2.089  27.035  38.169
  457    H1*    U  42           H1*        U  42   0.743  28.961  39.009
  458    H3     U  42           H3         U  42   2.522  29.869  43.001
  459    H5     U  42           H5         U  42  -1.393  28.666  43.899
  460    H6     U  42           H6         U  42  -1.673  28.082  41.583
  461   1H5*    U  43          1H5*        U  43   1.837  24.462  37.465
  462   2H5*    U  43          2H5*        U  43   2.172  22.767  37.821
  463    H4*    U  43           H4*        U  43   4.103  24.233  37.793
  464    H3*    U  43           H3*        U  43   3.557  22.623  40.337
  465    H2*    U  43           H2*        U  43   5.592  23.615  41.266
  466   2HO*    U  43          2HO*        U  43   7.104  24.565  40.091
  467    H1*    U  43           H1*        U  43   5.274  26.161  40.211
  468    H3     U  43           H3         U  43   5.017  26.735  44.665
  469    H5     U  43           H5         U  43   1.179  25.490  43.530
  470    H6     U  43           H6         U  43   2.046  25.048  41.330
  471   1H5*    G  44          1H5*        G  44   7.662  22.145  38.918
  472   2H5*    G  44          2H5*        G  44   8.087  20.462  39.229
  473    H4*    G  44           H4*        G  44   9.747  22.063  39.959
  474    H3*    G  44           H3*        G  44   8.582  20.156  42.023
  475    H2*    G  44           H2*        G  44  10.030  21.259  43.699
  476   2HO*    G  44          2HO*        G  44  11.625  22.579  43.201
  477    H1*    G  44           H1*        G  44   9.519  23.831  43.006
  478    H8     G  44           H8         G  44   6.204  22.034  42.479
  479    H1     G  44           H1         G  44   7.442  23.739  48.534
  480   1H2     G  44          1H2         G  44   9.578  24.436  48.738
  481   2H2     G  44          2H2         G  44  10.601  24.449  47.360
  482   1H5*    C  45          1H5*        C  45  12.568  20.069  42.987
  483   2H5*    C  45          2H5*        C  45  12.991  18.357  43.024
  484    H4*    C  45           H4*        C  45  13.686  19.356  45.003
  485    H3*    C  45           H3*        C  45  11.334  17.454  45.425
  486    H2*    C  45           H2*        C  45  11.514  17.993  47.836
  487   2HO*    C  45          2HO*        C  45  13.183  18.944  48.713
  488    H1*    C  45           H1*        C  45  11.811  20.692  47.571
  489   1H4     C  45          1H4         C  45   5.566  20.178  48.309
  490   2H4     C  45          2H4         C  45   5.354  19.820  46.629
  491    H5     C  45           H5         C  45   7.203  19.529  45.090
  492    H6     C  45           H6         C  45   9.649  19.531  44.899
  493   1H5*    U  46          1H5*        U  46  13.876  16.218  48.344
  494   2H5*    U  46          2H5*        U  46  13.793  14.458  48.416
  495    H4*    U  46           H4*        U  46  13.244  15.474  50.489
  496    H3*    U  46           H3*        U  46  10.986  13.886  49.178
  497    H2*    U  46           H2*        U  46   9.633  14.436  51.177
  498   2HO*    U  46          2HO*        U  46  10.439  15.155  52.986
  499    H1*    U  46           H1*        U  46  10.350  17.069  51.367
  500    H3     U  46           H3         U  46   6.131  17.427  49.958
  501    H5     U  46           H5         U  46   8.266  16.425  46.491
  502    H6     U  46           H6         U  46  10.214  16.103  47.866
  503   1H5*    G  47          1H5*        G  47  11.336  12.771  53.035
  504   2H5*    G  47          2H5*        G  47  11.229  11.025  53.254
  505    H4*    G  47           H4*        G  47   9.780  12.376  54.680
  506    H3*    G  47           H3*        G  47   8.702  10.115  53.031
  507    H2*    G  47           H2*        G  47   6.504  10.831  53.129
  508   2HO*    G  47          2HO*        G  47   5.562  11.376  54.966
  509    H1*    G  47           H1*        G  47   7.030  13.448  54.398
  510    H8     G  47           H8         G  47   7.530  13.581  50.684
  511    H1     G  47           H1         G  47   1.426  14.262  52.521
  512   1H2     G  47          1H2         G  47   1.191  13.715  54.699
  513   2H2     G  47          2H2         G  47   2.560  13.206  55.598
  514   1H5*    A  48          1H5*        A  48   7.236   7.329  58.150
  515   2H5*    A  48          2H5*        A  48   7.258   6.663  56.517
  516    H4*    A  48           H4*        A  48   5.205   8.142  57.980
  517    H3*    A  48           H3*        A  48   5.218   5.651  56.340
  518    H2*    A  48           H2*        A  48   3.498   6.294  54.941
  519   2HO*    A  48          2HO*        A  48   1.617   7.179  55.782
  520    H1*    A  48           H1*        A  48   3.139   9.022  56.084
  521    H8     A  48           H8         A  48   5.556   8.303  53.184
  522   1H6     A  48          1H6         A  48   1.108  10.611  49.586
  523   2H6     A  48          2H6         A  48   2.738  10.035  49.646
  524    H2     A  48           H2         A  48  -0.501  10.264  53.761
  525   1H5*    A  49          1H5*        A  49   3.190   2.260  58.188
  526   2H5*    A  49          2H5*        A  49   3.504   2.000  56.472
  527    H4*    A  49           H4*        A  49   1.716   3.950  57.822
  528    H3*    A  49           H3*        A  49   1.058   1.593  56.472
  529    H2*    A  49           H2*        A  49   1.356   2.388  54.223
  530   2HO*    A  49          2HO*        A  49  -1.007   3.742  54.881
  531    H1*    A  49           H1*        A  49   0.525   5.189  55.100
  532    H8     A  49           H8         A  49   3.935   4.192  53.607
  533   1H6     A  49          1H6         A  49   2.071   7.372  48.659
  534   2H6     A  49          2H6         A  49   3.385   6.518  49.394
  535    H2     A  49           H2         A  49  -1.344   7.161  51.562
  536   1H5*    G  50          1H5*        G  50  -4.003   1.325  55.752
  537   2H5*    G  50          2H5*        G  50  -2.824   1.946  54.597
  538    H4*    G  50           H4*        G  50  -5.074   3.479  55.819
  539    H3*    G  50           H3*        G  50  -5.074   1.979  53.189
  540    H2*    G  50           H2*        G  50  -6.188   3.918  52.165
  541   2HO*    G  50          2HO*        G  50  -7.608   4.434  53.682
  542    H1*    G  50           H1*        G  50  -4.653   5.897  53.189
  543    H8     G  50           H8         G  50  -1.713   3.882  52.833
  544    H1     G  50           H1         G  50  -4.391   5.025  47.121
  545   1H2     G  50          1H2         G  50  -6.512   5.754  47.375
  546   2H2     G  50          2H2         G  50  -7.166   5.927  48.951
  547   1H5*    C  51          1H5*        C  51  -9.231   1.908  53.614
  548   2H5*    C  51          2H5*        C  51  -9.768   0.263  53.273
  549    H4*    C  51           H4*        C  51 -10.629   1.886  51.740
  550    H3*    C  51           H3*        C  51  -8.886  -0.320  50.540
  551    H2*    C  51           H2*        C  51  -9.347   0.709  48.339
  552   2HO*    C  51          2HO*        C  51 -10.887   2.119  47.991
  553    H1*    C  51           H1*        C  51  -9.020   3.320  49.100
  554   1H4     C  51          1H4         C  51  -3.344   1.741  46.789
  555   2H4     C  51          2H4         C  51  -2.815   1.273  48.370
  556    H5     C  51           H5         C  51  -4.285   1.209  50.297
  557    H6     C  51           H6         C  51  -6.587   1.595  51.056
  558   1H5*    G  52          1H5*        G  52 -12.254  -0.150  47.926
  559   2H5*    G  52          2H5*        G  52 -12.716  -1.849  47.817
  560    H4*    G  52           H4*        G  52 -12.544  -0.957  45.673
  561    H3*    G  52           H3*        G  52 -10.337  -2.970  46.293
  562    H2*    G  52           H2*        G  52  -9.524  -2.590  43.985
  563   2HO*    G  52          2HO*        G  52 -10.652  -1.621  42.480
  564    H1*    G  52           H1*        G  52  -9.717   0.128  43.985
  565    H8     G  52           H8         G  52  -8.535  -1.062  47.451
  566    H1     G  52           H1         G  52  -3.925  -0.088  43.102
  567   1H2     G  52          1H2         G  52  -4.827   0.304  41.070
  568   2H2     G  52          2H2         G  52  -6.532   0.308  40.886
  569   1H5*    C  53          1H5*        C  53 -11.943  -3.957  42.440
  570   2H5*    C  53          2H5*        C  53 -11.925  -5.719  42.376
  571    H4*    C  53           H4*        C  53 -10.834  -4.682  40.516
  572    H3*    C  53           H3*        C  53  -9.103  -6.494  42.269
  573    H2*    C  53           H2*        C  53  -7.259  -6.027  40.697
  574   2HO*    C  53          2HO*        C  53  -7.524  -5.262  38.762
  575    H1*    C  53           H1*        C  53  -7.724  -3.336  40.399
  576   1H4     C  53          1H4         C  53  -3.283  -3.316  44.873
  577   2H4     C  53          2H4         C  53  -4.427  -3.778  46.087
  578    H5     C  53           H5         C  53  -6.744  -4.299  45.600
  579    H6     C  53           H6         C  53  -8.407  -4.472  43.805
  580   1H5*    G  54          1H5*        G  54  -8.352  -8.037  38.337
  581   2H5*    G  54          2H5*        G  54  -8.108  -9.762  38.612
  582    H4*    G  54           H4*        G  54  -6.261  -8.642  37.540
  583    H3*    G  54           H3*        G  54  -5.698 -10.057  40.191
  584    H2*    G  54           H2*        G  54  -3.343  -9.378  39.896
  585   2HO*    G  54          2HO*        G  54  -2.514  -8.758  38.071
  586    H1*    G  54           H1*        G  54  -3.820  -6.817  39.035
  587    H8     G  54           H8         G  54  -6.283  -7.540  41.867
  588    H1     G  54           H1         G  54  -0.442  -5.665  43.731
  589   1H2     G  54          1H2         G  54   0.973  -5.630  41.974
  590   2H2     G  54          2H2         G  54   0.405  -6.072  40.418
  591   1H5*    C  55          1H5*        C  55  -2.774 -11.983  37.683
  592   2H5*    C  55          2H5*        C  55  -2.779 -13.645  38.272
  593    H4*    C  55           H4*        C  55  -0.621 -12.633  38.347
  594    H3*    C  55           H3*        C  55  -1.787 -13.495  41.038
  595    H2*    C  55           H2*        C  55   0.338 -12.723  42.044
  596   2HO*    C  55          2HO*        C  55   2.091 -12.297  40.922
  597    H1*    C  55           H1*        C  55   0.557 -10.385  40.639
  598   1H4     C  55          1H4         C  55  -2.356  -8.224  45.779
  599   2H4     C  55          2H4         C  55  -3.819  -9.066  45.393
  600    H5     C  55           H5         C  55  -4.040 -10.530  43.473
  601    H6     C  55           H6         C  55  -2.856 -11.462  41.537
  602   1H5*    A  56          1H5*        A  56   2.322 -15.035  40.847
  603   2H5*    A  56          2H5*        A  56   2.011 -16.744  41.155
  604    H4*    A  56           H4*        A  56   3.873 -15.969  42.382
  605    H3*    A  56           H3*        A  56   1.492 -16.824  44.095
  606    H2*    A  56           H2*        A  56   2.904 -16.301  46.062
  607   2HO*    A  56          2HO*        A  56   4.984 -16.076  45.988
  608    H1*    A  56           H1*        A  56   3.901 -13.927  45.152
  609    H8     A  56           H8         A  56   0.320 -13.851  43.974
  610   1H6     A  56          1H6         A  56  -1.130 -11.867  49.634
  611   2H6     A  56          2H6         A  56  -1.704 -12.122  48.021
  612    H2     A  56           H2         A  56   3.151 -13.213  49.670
  613   1H5*    C  57          1H5*        C  57   5.039 -18.784  45.624
  614   2H5*    C  57          2H5*        C  57   4.485 -20.367  46.173
  615    H4*    C  57           H4*        C  57   5.751 -18.962  47.770
  616    H3*    C  57           H3*        C  57   3.083 -20.216  48.579
  617    H2*    C  57           H2*        C  57   3.435 -19.179  50.799
  618   2HO*    C  57          2HO*        C  57   5.287 -18.393  51.457
  619    H1*    C  57           H1*        C  57   4.270 -16.732  49.911
  620   1H4     C  57          1H4         C  57  -1.981 -16.091  50.813
  621   2H4     C  57          2H4         C  57  -2.222 -16.241  49.105
  622    H5     C  57           H5         C  57  -0.446 -16.813  47.558
  623    H6     C  57           H6         C  57   1.942 -17.355  47.385
  624   1H5*    G  58          1H5*        G  58   5.602 -21.598  51.567
  625   2H5*    G  58          2H5*        G  58   5.300 -23.322  51.780
  626    H4*    G  58           H4*        G  58   5.170 -21.860  53.776
  627    H3*    G  58           H3*        G  58   2.915 -23.822  53.129
  628    H2*    G  58           H2*        G  58   1.820 -23.017  55.198
  629   2HO*    G  58          2HO*        G  58   2.802 -21.949  56.713
  630    H1*    G  58           H1*        G  58   2.280 -20.348  54.819
  631    H8     G  58           H8         G  58   1.441 -21.182  51.313
  632    H1     G  58           H1         G  58  -3.644 -21.403  55.212
  633   1H2     G  58          1H2         G  58  -2.984 -21.391  57.370
  634   2H2     G  58          2H2         G  58  -1.313 -21.326  57.745
  635   1H5*    G  59          1H5*        G  59   3.684 -25.245  57.070
  636   2H5*    G  59          2H5*        G  59   3.349 -26.970  56.925
  637    H4*    G  59           H4*        G  59   1.959 -25.673  58.490
  638    H3*    G  59           H3*        G  59   0.636 -27.444  56.378
  639    H2*    G  59           H2*        G  59  -1.527 -26.741  57.349
  640   2HO*    G  59          2HO*        G  59  -1.739 -25.860  59.242
  641    H1*    G  59           H1*        G  59  -0.937 -24.083  57.631
  642    H8     G  59           H8         G  59   0.620 -24.727  54.298
  643    H1     G  59           H1         G  59  -5.786 -24.513  54.133
  644   1H2     G  59          1H2         G  59  -6.633 -24.599  56.223
  645   2H2     G  59          2H2         G  59  -5.570 -24.704  57.565
  646   1H5*    C  60          1H5*        C  60  -1.422 -28.719  59.940
  647   2H5*    C  60          2H5*        C  60  -1.418 -30.471  59.741
  648    H4*    C  60           H4*        C  60  -3.595 -29.564  60.133
  649    H3*    C  60           H3*        C  60  -3.199 -31.022  57.476
  650    H2*    C  60           H2*        C  60  -5.593 -30.580  57.040
  651   2HO*    C  60          2HO*        C  60  -6.974 -29.991  58.522
  652    H1*    C  60           H1*        C  60  -5.625 -27.977  57.886
  653   1H4     C  60          1H4         C  60  -4.688 -27.412  51.660
  654   2H4     C  60          2H4         C  60  -2.973 -27.508  51.885
  655    H5     C  60           H5         C  60  -1.938 -27.967  54.029
  656    H6     C  60           H6         C  60  -2.391 -28.427  56.396
  657   1H5*    A  61          1H5*        A  61  -6.858 -32.553  59.277
  658   2H5*    A  61          2H5*        A  61  -6.814 -34.268  58.868
  659    H4*    A  61           H4*        A  61  -8.866 -33.154  58.272
  660    H3*    A  61           H3*        A  61  -7.291 -34.484  56.015
  661    H2*    A  61           H2*        A  61  -9.130 -33.774  54.514
  662   2HO*    A  61          2HO*        A  61 -11.017 -33.089  55.198
  663    H1*    A  61           H1*        A  61  -9.400 -31.232  55.478
  664    H8     A  61           H8         A  61  -5.668 -32.003  55.450
  665   1H6     A  61          1H6         A  61  -5.739 -30.015  49.610
  666   2H6     A  61          2H6         A  61  -4.743 -30.510  50.936
  667    H2     A  61           H2         A  61  -9.981 -30.318  51.042
  668   1H5*    A  62          1H5*        A  62 -11.442 -36.071  55.762
  669   2H5*    A  62          2H5*        A  62 -11.235 -37.560  54.839
  670    H4*    A  62           H4*        A  62 -12.708 -35.688  53.974
  671    H3*    A  62           H3*        A  62 -10.787 -37.270  52.199
  672    H2*    A  62           H2*        A  62 -11.583 -35.853  50.330
  673   2HO*    A  62          2HO*        A  62 -13.652 -35.707  50.599
  674    H1*    A  62           H1*        A  62 -11.509 -33.463  51.650
  675    H8     A  62           H8         A  62  -8.400 -35.043  52.980
  676   1H6     A  62          1H6         A  62  -5.657 -33.443  47.691
  677   2H6     A  62          2H6         A  62  -5.418 -34.036  49.299
  678    H2     A  62           H2         A  62 -10.079 -32.842  47.218
  679   1H5*    G  63          1H5*        G  63 -14.520 -38.308  49.904
  680   2H5*    G  63          2H5*        G  63 -13.888 -39.724  49.064
  681    H4*    G  63           H4*        G  63 -14.563 -37.582  47.811
  682    H3*    G  63           H3*        G  63 -12.214 -39.378  47.100
  683    H2*    G  63           H2*        G  63 -11.639 -37.747  45.332
  684   2HO*    G  63          2HO*        G  63 -12.941 -36.190  44.688
  685    H1*    G  63           H1*        G  63 -11.901 -35.484  46.804
  686    H8     G  63           H8         G  63 -10.455 -37.361  49.582
  687    H1     G  63           H1         G  63  -6.228 -36.435  44.850
  688   1H2     G  63          1H2         G  63  -7.283 -35.780  42.966
  689   2H2     G  63          2H2         G  63  -8.989 -35.600  42.968
  690   1H5*    A  64          1H5*        A  64 -14.306 -40.072  43.234
  691   2H5*    A  64          2H5*        A  64 -14.093 -41.819  43.117
  692    H4*    A  64           H4*        A  64 -13.203 -40.509  41.270
  693    H3*    A  64           H3*        A  64 -11.314 -42.401  42.760
  694    H2*    A  64           H2*        A  64  -9.569 -41.707  41.186
  695   2HO*    A  64          2HO*        A  64 -10.027 -40.509  39.373
  696    H1*    A  64           H1*        A  64 -10.242 -39.024  41.055
  697    H8     A  64           H8         A  64 -10.343 -39.059  44.638
  698   1H6     A  64          1H6         A  64  -4.223 -39.812  44.820
  699   2H6     A  64          2H6         A  64  -5.635 -39.395  45.728
  700    H2     A  64           H2         A  64  -5.625 -40.705  40.651
  701   1H5*    G  65          1H5*        G  65 -10.570 -43.798  39.592
  702   2H5*    G  65          2H5*        G  65 -11.362 -45.306  39.132
  703    H4*    G  65           H4*        G  65  -9.529 -46.553  39.414
  704    H3*    G  65           H3*        G  65  -8.930 -45.510  41.821
  705    H2*    G  65           H2*        G  65  -8.084 -43.319  41.049
  706   2HO*    G  65          2HO*        G  65  -6.503 -44.200  42.269
  707    H1*    G  65           H1*        G  65  -6.476 -44.771  38.922
  708    H8     G  65           H8         G  65  -9.239 -42.254  38.037
  709    H1     G  65           H1         G  65  -3.233 -40.034  37.728
  710   1H2     G  65          1H2         G  65  -1.788 -41.542  38.583
  711   2H2     G  65          2H2         G  65  -2.380 -43.033  39.190
  712   1H5*    G  66          1H5*        G  66  -5.926 -49.536  41.990
  713   2H5*    G  66          2H5*        G  66  -5.761 -49.095  43.691
  714    H4*    G  66           H4*        G  66  -5.236 -47.496  41.244
  715    H3*    G  66           H3*        G  66  -3.429 -48.722  43.165
  716    H2*    G  66           H2*        G  66  -3.044 -46.798  44.438
  717   2HO*    G  66          2HO*        G  66  -1.768 -45.293  43.509
  718    H1*    G  66           H1*        G  66  -4.163 -44.955  42.283
  719    H8     G  66           H8         G  66  -3.612 -42.772  43.543
  720    H1     G  66           H1         G  66  -6.752 -44.921  48.703
  721   1H2     G  66          1H2         G  66  -7.339 -47.082  48.428
  722   2H2     G  66          2H2         G  66  -6.923 -47.894  46.975
  723   1H5*    C  67          1H5*        C  67  -2.508 -48.203  38.784
  724   2H5*    C  67          2H5*        C  67  -1.162 -49.107  38.089
  725    H4*    C  67           H4*        C  67  -1.297 -46.927  37.195
  726    H3*    C  67           H3*        C  67   1.221 -47.467  38.842
  727    H2*    C  67           H2*        C  67   1.923 -45.168  38.252
  728   2HO*    C  67          2HO*        C  67   1.373 -45.114  36.174
  729    H1*    C  67           H1*        C  67  -0.488 -43.949  38.676
  730   1H4     C  67          1H4         C  67   2.489 -43.165  44.200
  731   2H4     C  67          2H4         C  67   1.835 -44.656  44.788
  732    H5     C  67           H5         C  67   0.541 -46.173  43.409
  733    H6     C  67           H6         C  67  -0.371 -46.526  41.158
  734   1H5*    G  68          1H5*        G  68   3.605 -46.794  35.532
  735   2H5*    G  68          2H5*        G  68   4.625 -48.232  35.498
  736    H4*    G  68           H4*        G  68   5.941 -46.290  35.727
  737    H3*    G  68           H3*        G  68   5.993 -48.151  38.131
  738    H2*    G  68           H2*        G  68   7.511 -46.531  39.220
  739   2HO*    G  68          2HO*        G  68   8.496 -44.959  38.198
  740    H1*    G  68           H1*        G  68   6.144 -44.266  38.630
  741    H8     G  68           H8         G  68   3.237 -46.549  39.178
  742    H1     G  68           H1         G  68   6.191 -44.790  44.591
  743   1H2     G  68          1H2         G  68   8.175 -43.822  44.128
  744   2H2     G  68          2H2         G  68   8.678 -43.654  42.496
  745   1H5*    U  69          1H5*        U  69   9.999 -46.993  37.593
  746   2H5*    U  69          2H5*        U  69  10.901 -48.506  37.663
  747    H4*    U  69           H4*        U  69  11.791 -46.846  39.111
  748    H3*    U  69           H3*        U  69  10.719 -49.353  40.492
  749    H2*    U  69           H2*        U  69  11.476 -48.336  42.615
  750   2HO*    U  69          2HO*        U  69  12.807 -46.688  42.729
  751    H1*    U  69           H1*        U  69  10.582 -45.795  42.123
  752    H3     U  69           H3         U  69   7.709 -47.112  45.272
  753    H5     U  69           H5         U  69   6.324 -49.005  41.797
  754    H6     U  69           H6         U  69   8.291 -48.211  40.661
  755   1H5*    C  70          1H5*        C  70  14.404 -48.967  42.473
  756   2H5*    C  70          2H5*        C  70  15.096 -50.573  42.249
  757    H4*    C  70           H4*        C  70  15.173 -50.008  44.495
  758    H3*    C  70           H3*        C  70  13.137 -52.216  43.926
  759    H2*    C  70           H2*        C  70  12.625 -52.259  46.291
  760   2HO*    C  70          2HO*        C  70  13.927 -51.523  47.819
  761    H1*    C  70           H1*        C  70  12.962 -49.523  46.812
  762   1H4     C  70          1H4         C  70   6.693 -50.254  47.015
  763   2H4     C  70          2H4         C  70   6.594 -50.232  45.287
  764    H5     C  70           H5         C  70   8.542 -50.159  43.846
  765    H6     C  70           H6         C  70  10.995 -50.093  43.821
  766    H3T    C  70           H3T        C  70  15.034 -52.956  45.436
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   4.766 -45.759  56.972
    2   2H5*    G   1          2H5*        G   1   5.219 -46.518  55.427
    3    H4*    G   1           H4*        G   1   7.020 -45.828  57.709
    4    H3*    G   1           H3*        G   1   6.548 -44.290  55.127
    5    H2*    G   1           H2*        G   1   8.977 -43.822  55.093
    6   2HO*    G   1          2HO*        G   1  10.268 -44.146  56.753
    7    H1*    G   1           H1*        G   1   9.848 -46.325  55.676
    8    H8     G   1           H8         G   1   6.809 -46.949  53.493
    9    H1     G   1           H1         G   1  12.149 -45.411  50.294
   10   1H2     G   1          1H2         G   1  13.741 -44.685  51.719
   11   2H2     G   1          2H2         G   1  13.407 -44.616  53.399
   12    H5T    G   1           H5T        G   1   4.470 -48.042  56.983
   13   1H5*    A   2          1H5*        A   2   9.235 -41.976  57.418
   14   2H5*    A   2          2H5*        A   2   8.543 -40.354  57.373
   15    H4*    A   2           H4*        A   2  10.847 -40.357  56.829
   16    H3*    A   2           H3*        A   2   8.992 -39.469  54.566
   17    H2*    A   2           H2*        A   2  11.024 -39.079  53.229
   18   2HO*    A   2          2HO*        A   2  12.970 -38.920  54.047
   19    H1*    A   2           H1*        A   2  12.391 -41.339  53.995
   20    H8     A   2           H8         A   2   8.834 -42.495  53.441
   21   1H6     A   2          1H6         A   2  10.298 -42.944  47.464
   22   2H6     A   2          2H6         A   2   9.112 -43.302  48.673
   23    H2     A   2           H2         A   2  13.647 -40.829  49.576
   24   1H5*    C   3          1H5*        C   3  11.832 -36.589  54.455
   25   2H5*    C   3          2H5*        C   3  10.986 -35.044  54.362
   26    H4*    C   3           H4*        C   3  12.562 -35.280  52.628
   27    H3*    C   3           H3*        C   3   9.654 -35.166  51.686
   28    H2*    C   3           H2*        C   3  10.489 -35.329  49.401
   29   2HO*    C   3          2HO*        C   3  12.455 -34.836  48.813
   30    H1*    C   3           H1*        C   3  12.582 -37.097  49.891
   31   1H4     C   3          1H4         C   3   8.101 -40.709  47.261
   32   2H4     C   3          2H4         C   3   7.403 -41.008  48.816
   33    H5     C   3           H5         C   3   8.163 -39.918  50.844
   34    H6     C   3           H6         C   3   9.774 -38.304  51.750
   35   1H5*    G   4          1H5*        G   4  11.295 -31.603  49.549
   36   2H5*    G   4          2H5*        G   4   9.975 -30.465  49.812
   37    H4*    G   4           H4*        G   4  10.658 -30.742  47.503
   38    H3*    G   4           H3*        G   4   7.733 -31.287  48.209
   39    H2*    G   4           H2*        G   4   7.381 -31.726  45.802
   40   2HO*    G   4          2HO*        G   4   8.706 -31.126  44.289
   41    H1*    G   4           H1*        G   4   9.642 -33.213  45.384
   42    H8     G   4           H8         G   4   8.378 -34.372  48.764
   43    H1     G   4           H1         G   4   5.311 -36.922  43.745
   44   1H2     G   4          1H2         G   4   5.883 -35.850  41.843
   45   2H2     G   4          2H2         G   4   7.001 -34.551  41.905
   46   1H5*    G   5          1H5*        G   5   5.039 -28.119  45.301
   47   2H5*    G   5          2H5*        G   5   4.500 -29.546  46.186
   48    H4*    G   5           H4*        G   5   5.670 -29.479  43.447
   49    H3*    G   5           H3*        G   5   2.733 -29.549  44.231
   50    H2*    G   5           H2*        G   5   2.389 -31.154  42.378
   51   2HO*    G   5          2HO*        G   5   3.779 -31.484  40.831
   52    H1*    G   5           H1*        G   5   4.513 -32.765  42.875
   53    H8     G   5           H8         G   5   3.828 -32.302  46.421
   54    H1     G   5           H1         G   5  -0.878 -35.521  43.488
   55   1H2     G   5          1H2         G   5  -0.706 -35.305  41.248
   56   2H2     G   5          2H2         G   5   0.571 -34.374  40.582
   57   1H5*    C   6          1H5*        C   6   2.151 -29.371  40.296
   58   2H5*    C   6          2H5*        C   6   1.191 -27.913  40.047
   59    H4*    C   6           H4*        C   6   0.171 -29.738  39.000
   60    H3*    C   6           H3*        C   6  -1.415 -28.683  41.390
   61    H2*    C   6           H2*        C   6  -3.111 -30.401  40.834
   62   2HO*    C   6          2HO*        C   6  -3.116 -31.506  38.997
   63    H1*    C   6           H1*        C   6  -1.381 -32.466  40.391
   64   1H4     C   6          1H4         C   6  -2.873 -33.267  46.475
   65   2H4     C   6          2H4         C   6  -1.631 -32.162  46.960
   66    H5     C   6           H5         C   6  -0.296 -30.890  45.386
   67    H6     C   6           H6         C   6   0.083 -30.449  43.002
   68   1H5*    U   7          1H5*        U   7  -4.595 -28.656  38.482
   69   2H5*    U   7          2H5*        U   7  -5.121 -26.979  38.642
   70    H4*    U   7           H4*        U   7  -6.964 -28.378  38.813
   71    H3*    U   7           H3*        U   7  -6.260 -27.067  41.485
   72    H2*    U   7           H2*        U   7  -8.231 -28.220  42.418
   73   2HO*    U   7          2HO*        U   7  -9.784 -29.035  41.253
   74    H1*    U   7           H1*        U   7  -7.848 -30.638  41.173
   75    H3     U   7           H3         U   7  -6.996 -31.606  45.460
   76    H5     U   7           H5         U   7  -3.469 -29.795  44.095
   77    H6     U   7           H6         U   7  -4.612 -29.271  42.044
   78   1H5*    U   8          1H5*        U   8 -10.396 -26.429  41.070
   79   2H5*    U   8          2H5*        U   8 -10.696 -24.821  41.728
   80    H4*    U   8           H4*        U   8 -11.990 -26.604  42.723
   81    H3*    U   8           H3*        U   8 -10.230 -24.916  44.569
   82    H2*    U   8           H2*        U   8 -11.059 -26.256  46.429
   83   2HO*    U   8          2HO*        U   8 -12.845 -27.412  46.368
   84    H1*    U   8           H1*        U   8 -11.171 -28.704  45.106
   85    H3     U   8           H3         U   8  -8.190 -29.293  48.432
   86    H5     U   8           H5         U   8  -6.015 -27.464  45.350
   87    H6     U   8           H6         U   8  -8.089 -27.125  44.179
   88   1H5*    G   9          1H5*        G   9 -14.414 -25.147  46.080
   89   2H5*    G   9          2H5*        G   9 -14.698 -23.530  46.723
   90    H4*    G   9           H4*        G   9 -15.365 -25.297  48.215
   91    H3*    G   9           H3*        G   9 -13.268 -23.331  49.216
   92    H2*    G   9           H2*        G   9 -13.238 -24.617  51.331
   93   2HO*    G   9          2HO*        G   9 -14.704 -26.062  51.858
   94    H1*    G   9           H1*        G   9 -13.143 -27.106  50.252
   95    H8     G   9           H8         G   9 -11.039 -24.897  47.951
   96    H1     G   9           H1         G   9  -8.013 -27.112  53.152
   97   1H2     G   9          1H2         G   9  -9.480 -28.084  54.565
   98   2H2     G   9          2H2         G   9 -11.143 -28.141  54.153
   99   1H5*    C  10          1H5*        C  10 -15.755 -23.659  52.511
  100   2H5*    C  10          2H5*        C  10 -16.089 -21.991  52.976
  101    H4*    C  10           H4*        C  10 -15.312 -23.195  54.821
  102    H3*    C  10           H3*        C  10 -13.335 -21.072  53.859
  103    H2*    C  10           H2*        C  10 -11.899 -21.760  55.758
  104   2HO*    C  10          2HO*        C  10 -12.572 -22.954  57.376
  105    H1*    C  10           H1*        C  10 -12.177 -24.457  55.444
  106   1H4     C  10          1H4         C  10  -6.920 -23.306  52.146
  107   2H4     C  10          2H4         C  10  -7.846 -22.870  50.750
  108    H5     C  10           H5         C  10 -10.265 -22.718  50.754
  109    H6     C  10           H6         C  10 -12.270 -22.969  52.147
  110   1H5*    U  11          1H5*        U  11 -13.378 -20.434  57.867
  111   2H5*    U  11          2H5*        U  11 -13.456 -18.690  58.114
  112    H4*    U  11           H4*        U  11 -11.613 -19.612  59.243
  113    H3*    U  11           H3*        U  11 -10.854 -17.760  56.936
  114    H2*    U  11           H2*        U  11  -8.493 -18.171  57.567
  115   2HO*    U  11          2HO*        U  11  -7.899 -19.065  59.402
  116    H1*    U  11           H1*        U  11  -8.687 -20.870  57.913
  117    H3     U  11           H3         U  11  -6.425 -20.699  54.077
  118    H5     U  11           H5         U  11 -10.374 -19.862  52.943
  119    H6     U  11           H6         U  11 -10.962 -19.810  55.275
  120   1H5*    G  12          1H5*        G  12  -8.424 -16.852  60.275
  121   2H5*    G  12          2H5*        G  12  -8.427 -15.091  60.385
  122    H4*    G  12           H4*        G  12  -6.245 -16.168  60.464
  123    H3*    G  12           H3*        G  12  -6.787 -13.993  58.418
  124    H2*    G  12           H2*        G  12  -4.723 -14.374  57.355
  125   2HO*    G  12          2HO*        G  12  -2.938 -15.010  58.381
  126    H1*    G  12           H1*        G  12  -4.273 -17.070  58.279
  127    H8     G  12           H8         G  12  -7.203 -17.185  55.975
  128    H1     G  12           H1         G  12  -1.576 -16.753  52.931
  129   1H2     G  12          1H2         G  12   0.066 -16.210  54.380
  130   2H2     G  12          2H2         G  12  -0.308 -15.982  56.039
  131   1H5*    A  13          1H5*        A  13  -3.300 -13.079  60.337
  132   2H5*    A  13          2H5*        A  13  -3.106 -11.372  60.733
  133    H4*    A  13           H4*        A  13  -1.278 -12.401  59.473
  134    H3*    A  13           H3*        A  13  -2.566  -9.846  58.641
  135    H2*    A  13           H2*        A  13  -2.022 -10.031  56.405
  136   2HO*    A  13          2HO*        A  13   0.149 -10.806  55.884
  137    H1*    A  13           H1*        A  13  -0.692 -12.693  56.613
  138    H8     A  13           H8         A  13  -4.429 -12.155  55.809
  139   1H6     A  13          1H6         A  13  -2.817 -13.548  50.019
  140   2H6     A  13          2H6         A  13  -4.133 -13.208  51.091
  141    H2     A  13           H2         A  13   0.917 -13.304  52.497
  142   1H5*    A  14          1H5*        A  14   2.454  -6.911  58.569
  143   2H5*    A  14          2H5*        A  14   1.061  -6.996  57.492
  144    H4*    A  14           H4*        A  14   3.548  -8.643  57.412
  145    H3*    A  14           H3*        A  14   3.560  -6.198  56.301
  146    H2*    A  14           H2*        A  14   1.485  -6.414  54.965
  147   2HO*    A  14          2HO*        A  14   2.908  -5.787  53.523
  148    H1*    A  14           H1*        A  14   2.462  -9.125  54.021
  149    H8     A  14           H8         A  14  -0.768  -8.047  55.915
  150   1H6     A  14          1H6         A  14  -3.690 -10.164  50.910
  151   2H6     A  14          2H6         A  14  -3.878  -9.481  52.489
  152    H2     A  14           H2         A  14   0.729 -10.523  50.214
  153   1H5*    G  15          1H5*        G  15   6.689  -5.631  52.338
  154   2H5*    G  15          2H5*        G  15   4.980  -6.058  52.422
  155    H4*    G  15           H4*        G  15   7.145  -7.763  51.307
  156    H3*    G  15           H3*        G  15   5.380  -5.802  49.769
  157    H2*    G  15           H2*        G  15   5.300  -7.501  47.967
  158   2HO*    G  15          2HO*        G  15   6.601  -9.176  47.863
  159    H1*    G  15           H1*        G  15   4.860  -9.675  49.550
  160    H8     G  15           H8         G  15   2.613  -7.539  51.471
  161    H1     G  15           H1         G  15   0.404  -8.606  45.547
  162   1H2     G  15          1H2         G  15   2.040  -9.440  44.234
  163   2H2     G  15          2H2         G  15   3.605  -9.696  44.887
  164   1H5*    C  16          1H5*        C  16   8.328  -6.100  46.852
  165   2H5*    C  16          2H5*        C  16   8.729  -4.443  46.403
  166    H4*    C  16           H4*        C  16   8.063  -5.722  44.531
  167    H3*    C  16           H3*        C  16   6.184  -3.412  45.228
  168    H2*    C  16           H2*        C  16   4.866  -4.067  43.245
  169   2HO*    C  16          2HO*        C  16   5.588  -5.323  41.707
  170    H1*    C  16           H1*        C  16   4.967  -6.781  43.636
  171   1H4     C  16          1H4         C  16  -0.574  -5.215  46.235
  172   2H4     C  16          2H4         C  16   0.199  -4.846  47.740
  173    H5     C  16           H5         C  16   2.605  -4.874  48.038
  174    H6     C  16           H6         C  16   4.744  -5.271  46.902
  175   1H5*    G  17          1H5*        G  17   6.842  -3.078  41.040
  176   2H5*    G  17          2H5*        G  17   7.014  -1.343  40.769
  177    H4*    G  17           H4*        G  17   5.375  -2.305  39.359
  178    H3*    G  17           H3*        G  17   4.305  -0.261  41.366
  179    H2*    G  17           H2*        G  17   2.090  -0.614  40.341
  180   2HO*    G  17          2HO*        G  17   1.788  -1.547  38.460
  181    H1*    G  17           H1*        G  17   2.243  -3.346  40.098
  182    H8     G  17           H8         G  17   3.681  -2.265  43.495
  183    H1     G  17           H1         G  17  -2.663  -3.171  43.323
  184   1H2     G  17          1H2         G  17  -3.359  -3.482  41.199
  185   2H2     G  17          2H2         G  17  -2.217  -3.453  39.919
  186   1H5*    C  18          1H5*        C  18   2.778   0.748  37.459
  187   2H5*    C  18          2H5*        C  18   2.753   2.511  37.421
  188    H4*    C  18           H4*        C  18   0.664   1.531  36.819
  189    H3*    C  18           H3*        C  18   0.640   3.296  39.316
  190    H2*    C  18           H2*        C  18  -1.788   2.865  39.430
  191   2HO*    C  18          2HO*        C  18  -2.933   2.106  37.825
  192    H1*    C  18           H1*        C  18  -1.699   0.186  38.841
  193   1H4     C  18          1H4         C  18  -1.852   0.009  45.138
  194   2H4     C  18          2H4         C  18  -0.194   0.496  45.251
  195    H5     C  18           H5         C  18   1.153   1.078  43.322
  196    H6     C  18           H6         C  18   1.135   1.299  40.878
  197   1H5*    G  19          1H5*        G  19  -2.527   4.884  36.823
  198   2H5*    G  19          2H5*        G  19  -2.644   6.580  37.289
  199    H4*    G  19           H4*        G  19  -4.664   5.223  37.557
  200    H3*    G  19           H3*        G  19  -3.600   6.808  39.946
  201    H2*    G  19           H2*        G  19  -5.533   5.952  41.209
  202   2HO*    G  19          2HO*        G  19  -7.250   5.090  40.312
  203    H1*    G  19           H1*        G  19  -5.469   3.372  40.253
  204    H8     G  19           H8         G  19  -1.849   4.297  40.941
  205    H1     G  19           H1         G  19  -5.201   2.530  46.114
  206   1H2     G  19          1H2         G  19  -7.400   2.400  45.622
  207   2H2     G  19          2H2         G  19  -7.936   2.755  44.033
  208   1H5*    C  20          1H5*        C  20  -7.308   8.436  40.100
  209   2H5*    C  20          2H5*        C  20  -7.070  10.181  40.178
  210    H4*    C  20           H4*        C  20  -8.322   9.471  42.006
  211    H3*    C  20           H3*        C  20  -5.516  10.402  42.796
  212    H2*    C  20           H2*        C  20  -6.146   9.950  45.119
  213   2HO*    C  20          2HO*        C  20  -8.032  10.697  45.448
  214    H1*    C  20           H1*        C  20  -7.597   7.633  44.661
  215   1H4     C  20          1H4         C  20  -2.148   5.192  46.656
  216   2H4     C  20          2H4         C  20  -1.309   5.724  45.239
  217    H5     C  20           H5         C  20  -2.357   7.037  43.492
  218    H6     C  20           H6         C  20  -4.456   8.095  42.787
  219   1H5*    A  21          1H5*        A  21  -6.357  14.681  45.662
  220   2H5*    A  21          2H5*        A  21  -4.987  13.573  45.734
  221    H4*    A  21           H4*        A  21  -7.372  13.801  47.474
  222    H3*    A  21           H3*        A  21  -4.402  13.960  48.047
  223    H2*    A  21           H2*        A  21  -4.832  12.832  50.193
  224   2HO*    A  21          2HO*        A  21  -6.784  12.571  51.030
  225    H1*    A  21           H1*        A  21  -6.466  10.860  49.319
  226    H8     A  21           H8         A  21  -4.349  10.805  46.333
  227   1H6     A  21          1H6         A  21   0.004   7.987  49.676
  228   2H6     A  21          2H6         A  21  -0.519   8.410  48.082
  229    H2     A  21           H2         A  21  -3.086   9.626  52.487
  230   1H5*    C  22          1H5*        C  22  -5.699  14.769  51.725
  231   2H5*    C  22          2H5*        C  22  -5.199  16.442  51.977
  232    H4*    C  22           H4*        C  22  -4.616  15.081  53.827
  233    H3*    C  22           H3*        C  22  -2.279  16.286  52.303
  234    H2*    C  22           H2*        C  22  -0.778  15.118  53.885
  235   2HO*    C  22          2HO*        C  22  -1.414  14.273  55.712
  236    H1*    C  22           H1*        C  22  -1.989  12.695  53.848
  237   1H4     C  22          1H4         C  22   2.283  12.433  49.155
  238   2H4     C  22          2H4         C  22   0.987  12.556  48.014
  239    H5     C  22           H5         C  22  -1.309  13.000  48.656
  240    H6     C  22           H6         C  22  -2.794  13.415  50.564
  241   1H5*    G  23          1H5*        G  23  -1.427  16.852  56.251
  242   2H5*    G  23          2H5*        G  23  -1.015  18.549  56.500
  243    H4*    G  23           H4*        G  23   0.544  16.981  57.469
  244    H3*    G  23           H3*        G  23   1.638  18.972  55.424
  245    H2*    G  23           H2*        G  23   3.861  17.967  55.855
  246   2HO*    G  23          2HO*        G  23   4.302  16.747  57.515
  247    H1*    G  23           H1*        G  23   3.071  15.352  55.818
  248    H8     G  23           H8         G  23   0.977  16.207  52.980
  249    H1     G  23           H1         G  23   7.201  16.864  51.583
  250   1H2     G  23          1H2         G  23   8.436  16.887  53.473
  251   2H2     G  23          2H2         G  23   7.660  16.736  54.995
  252   1H5*    G  24          1H5*        G  24   3.950  20.362  58.491
  253   2H5*    G  24          2H5*        G  24   4.003  22.121  58.372
  254    H4*    G  24           H4*        G  24   6.132  21.020  58.081
  255    H3*    G  24           H3*        G  24   5.137  22.793  55.798
  256    H2*    G  24           H2*        G  24   7.255  22.267  54.646
  257   2HO*    G  24          2HO*        G  24   8.958  21.503  55.603
  258    H1*    G  24           H1*        G  24   7.328  19.591  55.249
  259    H8     G  24           H8         G  24   3.717  19.917  54.414
  260    H1     G  24           H1         G  24   7.543  20.229  49.278
  261   1H2     G  24          1H2         G  24   9.690  20.514  49.910
  262   2H2     G  24          2H2         G  24  10.078  20.612  51.577
  263   1H5*    C  25          1H5*        C  25   9.071  24.361  56.459
  264   2H5*    C  25          2H5*        C  25   8.805  26.104  56.429
  265    H4*    C  25           H4*        C  25  10.529  25.423  54.943
  266    H3*    C  25           H3*        C  25   8.087  26.696  53.617
  267    H2*    C  25           H2*        C  25   9.300  26.433  51.472
  268   2HO*    C  25          2HO*        C  25  11.362  26.064  51.324
  269    H1*    C  25           H1*        C  25  10.197  23.888  51.892
  270   1H4     C  25          1H4         C  25   4.826  22.890  48.725
  271   2H4     C  25          2H4         C  25   3.909  22.956  50.191
  272    H5     C  25           H5         C  25   4.879  23.515  52.341
  273    H6     C  25           H6         C  25   6.964  24.124  53.483
  274   1H5*    A  26          1H5*        A  26  11.565  28.751  51.943
  275   2H5*    A  26          2H5*        A  26  10.992  30.415  51.836
  276    H4*    A  26           H4*        A  26  11.897  29.563  49.782
  277    H3*    A  26           H3*        A  26   8.978  30.467  49.729
  278    H2*    A  26           H2*        A  26   9.000  29.902  47.317
  279   2HO*    A  26          2HO*        A  26  10.750  29.618  46.191
  280    H1*    A  26           H1*        A  26  10.304  27.512  47.533
  281    H8     A  26           H8         A  26   7.939  27.748  50.513
  282   1H6     A  26          1H6         A  26   3.677  25.315  46.776
  283   2H6     A  26          2H6         A  26   4.054  25.773  48.401
  284    H2     A  26           H2         A  26   7.292  26.326  44.315
  285   1H5*    A  27          1H5*        A  27  10.906  32.624  46.416
  286   2H5*    A  27          2H5*        A  27   9.880  34.044  46.211
  287    H4*    A  27           H4*        A  27  10.174  32.493  44.286
  288    H3*    A  27           H3*        A  27   7.401  33.455  45.140
  289    H2*    A  27           H2*        A  27   6.518  32.119  43.249
  290   2HO*    A  27          2HO*        A  27   7.684  31.425  41.658
  291    H1*    A  27           H1*        A  27   8.033  29.885  43.668
  292    H8     A  27           H8         A  27   7.176  30.924  47.176
  293   1H6     A  27          1H6         A  27   1.756  28.099  46.339
  294   2H6     A  27          2H6         A  27   2.816  28.838  47.490
  295    H2     A  27           H2         A  27   3.827  28.370  42.367
  296   1H5*    G  28          1H5*        G  28   7.189  34.580  40.980
  297   2H5*    G  28          2H5*        G  28   6.150  36.003  41.056
  298    H4*    G  28           H4*        G  28   5.379  34.047  39.740
  299    H3*    G  28           H3*        G  28   3.540  35.379  41.790
  300    H2*    G  28           H2*        G  28   1.827  33.738  41.128
  301   2HO*    G  28          2HO*        G  28   1.920  32.576  39.351
  302    H1*    G  28           H1*        G  28   3.483  31.545  40.954
  303    H8     G  28           H8         G  28   4.796  32.914  44.123
  304    H1     G  28           H1         G  28  -1.104  30.481  44.739
  305   1H2     G  28          1H2         G  28  -2.034  30.144  42.711
  306   2H2     G  28          2H2         G  28  -1.149  30.537  41.296
  307   1H5*    A  29          1H5*        A  29   2.103  36.969  38.038
  308   2H5*    A  29          2H5*        A  29   1.286  38.524  38.210
  309    H4*    A  29           H4*        A  29  -0.061  36.363  37.972
  310    H3*    A  29           H3*        A  29  -0.756  38.804  39.348
  311    H2*    A  29           H2*        A  29  -1.288  37.828  41.420
  312   2HO*    A  29          2HO*        A  29  -3.211  36.496  39.870
  313    H1*    A  29           H1*        A  29  -1.610  35.065  40.171
  314    H8     A  29           H8         A  29   1.212  35.937  42.592
  315   1H6     A  29          1H6         A  29  -2.006  32.648  46.701
  316   2H6     A  29          2H6         A  29  -0.519  33.476  46.387
  317    H2     A  29           H2         A  29  -4.507  33.110  43.003
  318   1H5*    G  30          1H5*        G  30  -3.821  40.849  39.968
  319   2H5*    G  30          2H5*        G  30  -2.641  39.639  40.475
  320    H4*    G  30           H4*        G  30  -5.181  40.254  41.520
  321    H3*    G  30           H3*        G  30  -2.824  38.846  42.491
  322    H2*    G  30           H2*        G  30  -3.840  36.753  42.715
  323   2HO*    G  30          2HO*        G  30  -5.065  36.525  44.431
  324    H1*    G  30           H1*        G  30  -6.652  37.910  42.515
  325    H8     G  30           H8         G  30  -5.384  35.881  39.602
  326    H1     G  30           H1         G  30  -8.799  32.605  43.928
  327   1H2     G  30          1H2         G  30  -9.116  33.846  45.787
  328   2H2     G  30          2H2         G  30  -8.468  35.431  45.868
  329   1H5*    G  31          1H5*        G  31  -5.070  42.012  45.477
  330   2H5*    G  31          2H5*        G  31  -4.583  41.618  47.126
  331    H4*    G  31           H4*        G  31  -5.779  39.914  45.017
  332    H3*    G  31           H3*        G  31  -6.823  40.914  47.530
  333    H2*    G  31           H2*        G  31  -6.395  38.987  48.796
  334   2HO*    G  31          2HO*        G  31  -8.081  37.825  46.875
  335    H1*    G  31           H1*        G  31  -6.036  37.262  46.310
  336    H8     G  31           H8         G  31  -2.937  37.972  48.306
  337    H1     G  31           H1         G  31  -5.989  32.565  49.906
  338   1H2     G  31          1H2         G  31  -8.032  32.499  48.949
  339   2H2     G  31          2H2         G  31  -8.544  33.799  47.955
  340   1H5*    C  32          1H5*        C  32 -11.420  41.734  47.156
  341   2H5*    C  32          2H5*        C  32 -11.275  41.201  48.831
  342    H4*    C  32           H4*        C  32 -12.279  39.858  46.512
  343    H3*    C  32           H3*        C  32 -12.646  39.483  49.487
  344    H2*    C  32           H2*        C  32 -13.154  37.120  49.073
  345   2HO*    C  32          2HO*        C  32 -14.418  37.306  47.332
  346    H1*    C  32           H1*        C  32 -11.167  36.508  47.344
  347   1H4     C  32          1H4         C  32  -8.512  35.286  52.942
  348   2H4     C  32          2H4         C  32  -7.808  36.869  52.963
  349    H5     C  32           H5         C  32  -8.298  38.562  51.299
  350    H6     C  32           H6         C  32  -9.588  39.038  49.267
  351   1H5*    G  33          1H5*        G  33 -16.434  38.225  49.324
  352   2H5*    G  33          2H5*        G  33 -17.275  39.484  50.228
  353    H4*    G  33           H4*        G  33 -17.574  37.428  51.305
  354    H3*    G  33           H3*        G  33 -15.852  39.385  52.863
  355    H2*    G  33           H2*        G  33 -15.592  37.634  54.588
  356   2HO*    G  33          2HO*        G  33 -16.796  35.901  54.705
  357    H1*    G  33           H1*        G  33 -15.042  35.547  52.954
  358    H8     G  33           H8         G  33 -13.291  38.269  51.068
  359    H1     G  33           H1         G  33 -10.186  36.339  56.336
  360   1H2     G  33          1H2         G  33 -11.528  35.055  57.616
  361   2H2     G  33          2H2         G  33 -13.133  34.733  57.106
  362   1H5*    U  34          1H5*        U  34 -18.383  37.742  55.773
  363   2H5*    U  34          2H5*        U  34 -18.975  39.132  56.682
  364    H4*    U  34           H4*        U  34 -18.065  37.457  58.093
  365    H3*    U  34           H3*        U  34 -16.584  40.131  58.128
  366    H2*    U  34           H2*        U  34 -15.108  39.125  59.843
  367   2HO*    U  34          2HO*        U  34 -15.562  37.340  60.893
  368    H1*    U  34           H1*        U  34 -14.766  36.701  58.627
  369    H3     U  34           H3         U  34 -10.742  38.504  57.980
  370    H5     U  34           H5         U  34 -13.159  40.420  55.140
  371    H6     U  34           H6         U  34 -15.064  39.329  56.122
  372   1H5*    C  35          1H5*        C  35 -16.902  39.298  62.266
  373   2H5*    C  35          2H5*        C  35 -17.614  40.795  62.868
  374    H4*    C  35           H4*        C  35 -15.767  40.303  64.154
  375    H3*    C  35           H3*        C  35 -15.219  42.677  62.304
  376    H2*    C  35           H2*        C  35 -12.997  42.811  63.327
  377   2HO*    C  35          2HO*        C  35 -12.478  41.886  65.179
  378    H1*    C  35           H1*        C  35 -12.521  40.088  63.521
  379   1H4     C  35          1H4         C  35  -9.215  41.684  58.387
  380   2H4     C  35          2H4         C  35 -10.643  41.661  57.407
  381    H5     C  35           H5         C  35 -12.865  41.299  58.306
  382    H6     C  35           H6         C  35 -14.132  40.885  60.367
  383    H3T    C  35           H3T        C  35 -15.132  43.274  64.761
  384   1H5*    G  36          1H5*        G  36   1.414  42.018  60.071
  385   2H5*    G  36          2H5*        G  36   0.017  42.806  59.300
  386    H4*    G  36           H4*        G  36   0.320  42.054  62.176
  387    H3*    G  36           H3*        G  36  -1.167  40.576  59.969
  388    H2*    G  36           H2*        G  36  -2.924  40.084  61.642
  389   2HO*    G  36          2HO*        G  36  -2.673  40.358  63.736
  390    H1*    G  36           H1*        G  36  -3.108  42.567  62.725
  391    H8     G  36           H8         G  36  -2.491  43.252  59.044
  392    H1     G  36           H1         G  36  -8.548  41.765  60.528
  393   1H2     G  36          1H2         G  36  -8.678  41.003  62.648
  394   2H2     G  36          2H2         G  36  -7.255  40.900  63.600
  395    H5T    G  36           H5T        G  36   1.653  44.303  59.920
  396   1H5*    A  37          1H5*        A  37  -1.508  38.150  63.400
  397   2H5*    A  37          2H5*        A  37  -1.072  36.540  62.826
  398    H4*    A  37           H4*        A  37  -3.106  36.531  64.031
  399    H3*    A  37           H3*        A  37  -3.365  35.776  61.079
  400    H2*    A  37           H2*        A  37  -5.762  35.418  61.514
  401   2HO*    A  37          2HO*        A  37  -6.595  35.184  63.445
  402    H1*    A  37           H1*        A  37  -6.164  37.613  63.122
  403    H8     A  37           H8         A  37  -3.984  38.858  60.295
  404   1H6     A  37          1H6         A  37  -9.198  39.558  57.070
  405   2H6     A  37          2H6         A  37  -7.498  39.881  57.122
  406    H2     A  37           H2         A  37 -10.159  37.286  60.820
  407   1H5*    C  38          1H5*        C  38  -5.513  32.875  62.838
  408   2H5*    C  38          2H5*        C  38  -5.006  31.337  62.139
  409    H4*    C  38           H4*        C  38  -7.332  31.614  61.985
  410    H3*    C  38           H3*        C  38  -5.902  31.609  59.281
  411    H2*    C  38           H2*        C  38  -8.089  31.855  58.232
  412   2HO*    C  38          2HO*        C  38  -9.914  31.337  59.151
  413    H1*    C  38           H1*        C  38  -9.226  33.548  60.127
  414   1H4     C  38          1H4         C  38  -7.799  37.385  55.303
  415   2H4     C  38          2H4         C  38  -6.206  37.623  55.938
  416    H5     C  38           H5         C  38  -5.349  36.420  57.859
  417    H6     C  38           H6         C  38  -5.895  34.728  59.552
  418   1H5*    G  39          1H5*        G  39  -8.701  28.298  58.786
  419   2H5*    G  39          2H5*        G  39  -7.671  27.030  58.124
  420    H4*    G  39           H4*        G  39  -9.658  27.345  56.857
  421    H3*    G  39           H3*        G  39  -7.048  27.929  55.376
  422    H2*    G  39           H2*        G  39  -8.453  28.388  53.387
  423   2HO*    G  39          2HO*        G  39 -10.447  27.782  53.194
  424    H1*    G  39           H1*        G  39 -10.363  29.877  54.649
  425    H8     G  39           H8         G  39  -7.083  30.916  56.269
  426    H1     G  39           H1         G  39  -8.326  33.724  50.641
  427   1H2     G  39          1H2         G  39 -10.084  32.730  49.634
  428   2H2     G  39          2H2         G  39 -10.871  31.416  50.405
  429   1H5*    G  40          1H5*        G  40  -7.412  24.741  51.305
  430   2H5*    G  40          2H5*        G  40  -6.276  26.067  51.555
  431    H4*    G  40           H4*        G  40  -9.051  26.236  50.482
  432    H3*    G  40           H3*        G  40  -6.418  26.237  48.959
  433    H2*    G  40           H2*        G  40  -7.400  27.964  47.483
  434   2HO*    G  40          2HO*        G  40  -9.450  28.389  47.371
  435    H1*    G  40           H1*        G  40  -8.465  29.546  49.411
  436    H8     G  40           H8         G  40  -5.504  28.848  51.406
  437    H1     G  40           H1         G  40  -4.080  32.218  46.140
  438   1H2     G  40          1H2         G  40  -5.792  32.149  44.673
  439   2H2     G  40          2H2         G  40  -7.213  31.272  45.066
  440   1H5*    C  41          1H5*        C  41  -8.735  26.123  45.707
  441   2H5*    C  41          2H5*        C  41  -8.221  24.683  44.826
  442    H4*    C  41           H4*        C  41  -8.160  26.559  43.427
  443    H3*    C  41           H3*        C  41  -5.391  25.428  44.056
  444    H2*    C  41           H2*        C  41  -4.496  27.183  42.551
  445   2HO*    C  41          2HO*        C  41  -5.727  28.359  41.245
  446    H1*    C  41           H1*        C  41  -6.024  29.246  43.479
  447   1H4     C  41          1H4         C  41  -0.773  29.833  46.935
  448   2H4     C  41          2H4         C  41  -1.367  28.692  48.095
  449    H5     C  41           H5         C  41  -3.437  27.464  47.808
  450    H6     C  41           H6         C  41  -5.347  27.110  46.309
  451   1H5*    U  42          1H5*        U  42  -5.065  25.538  39.765
  452   2H5*    U  42          2H5*        U  42  -4.603  23.864  39.458
  453    H4*    U  42           H4*        U  42  -3.120  25.275  38.367
  454    H3*    U  42           H3*        U  42  -1.820  23.858  40.745
  455    H2*    U  42           H2*        U  42   0.273  24.998  40.109
  456   2HO*    U  42          2HO*        U  42   0.618  25.869  38.224
  457    H1*    U  42           H1*        U  42  -0.820  27.456  39.549
  458    H3     U  42           H3         U  42   1.526  28.261  43.276
  459    H5     U  42           H5         U  42  -2.003  26.462  44.652
  460    H6     U  42           H6         U  42  -2.593  26.024  42.361
  461   1H5*    U  43          1H5*        U  43   0.886  23.265  37.571
  462   2H5*    U  43          2H5*        U  43   1.535  21.642  37.801
  463    H4*    U  43           H4*        U  43   3.177  23.422  37.681
  464    H3*    U  43           H3*        U  43   3.162  21.636  40.164
  465    H2*    U  43           H2*        U  43   5.052  22.927  40.993
  466   2HO*    U  43          2HO*        U  43   6.322  24.116  39.765
  467    H1*    U  43           H1*        U  43   4.254  25.422  40.037
  468    H3     U  43           H3         U  43   4.419  25.855  44.521
  469    H5     U  43           H5         U  43   0.682  24.122  43.740
  470    H6     U  43           H6         U  43   1.364  23.846  41.449
  471   1H5*    G  44          1H5*        G  44   7.241  21.903  38.349
  472   2H5*    G  44          2H5*        G  44   7.867  20.267  38.554
  473    H4*    G  44           H4*        G  44   9.415  21.987  39.219
  474    H3*    G  44           H3*        G  44   8.578  19.957  41.326
  475    H2*    G  44           H2*        G  44  10.044  21.165  42.912
  476   2HO*    G  44          2HO*        G  44  11.481  22.621  42.321
  477    H1*    G  44           H1*        G  44   9.259  23.690  42.300
  478    H8     G  44           H8         G  44   6.120  21.528  42.015
  479    H1     G  44           H1         G  44   7.569  23.504  47.940
  480   1H2     G  44          1H2         G  44   9.617  24.451  47.978
  481   2H2     G  44          2H2         G  44  10.532  24.552  46.531
  482   1H5*    C  45          1H5*        C  45  12.653  20.226  41.996
  483   2H5*    C  45          2H5*        C  45  13.199  18.549  42.029
  484    H4*    C  45           H4*        C  45  13.930  19.663  43.947
  485    H3*    C  45           H3*        C  45  11.808  17.544  44.535
  486    H2*    C  45           H2*        C  45  12.098  18.129  46.926
  487   2HO*    C  45          2HO*        C  45  13.722  19.274  47.673
  488    H1*    C  45           H1*        C  45  12.121  20.842  46.617
  489   1H4     C  45          1H4         C  45   6.030  19.738  47.842
  490   2H4     C  45          2H4         C  45   5.723  19.362  46.181
  491    H5     C  45           H5         C  45   7.466  19.243  44.502
  492    H6     C  45           H6         C  45   9.881  19.473  44.123
  493   1H5*    U  46          1H5*        U  46  14.611  16.762  47.369
  494   2H5*    U  46          2H5*        U  46  14.817  15.012  47.425
  495    H4*    U  46           H4*        U  46  14.289  15.856  49.552
  496    H3*    U  46           H3*        U  46  12.112  14.080  48.350
  497    H2*    U  46           H2*        U  46  10.865  14.424  50.463
  498   2HO*    U  46          2HO*        U  46  11.728  15.235  52.227
  499    H1*    U  46           H1*        U  46  11.284  17.110  50.684
  500    H3     U  46           H3         U  46   6.984  17.053  49.512
  501    H5     U  46           H5         U  46   9.008  16.323  45.913
  502    H6     U  46           H6         U  46  11.056  16.191  47.169
  503   1H5*    G  47          1H5*        G  47  12.676  12.994  52.395
  504   2H5*    G  47          2H5*        G  47  12.746  11.232  52.395
  505    H4*    G  47           H4*        G  47  11.245  12.230  54.020
  506    H3*    G  47           H3*        G  47  10.166  10.180  52.054
  507    H2*    G  47           H2*        G  47   7.957  10.540  52.796
  508   2HO*    G  47          2HO*        G  47   7.434  11.083  54.808
  509    H1*    G  47           H1*        G  47   8.306  13.189  53.866
  510    H8     G  47           H8         G  47   8.829  13.425  50.174
  511    H1     G  47           H1         G  47   2.658  13.033  51.868
  512   1H2     G  47          1H2         G  47   2.470  12.424  54.033
  513   2H2     G  47          2H2         G  47   3.885  12.144  54.960
  514   1H5*    A  48          1H5*        A  48   9.034   9.078  55.795
  515   2H5*    A  48          2H5*        A  48   9.158   7.353  56.141
  516    H4*    A  48           H4*        A  48   6.985   8.390  56.580
  517    H3*    A  48           H3*        A  48   7.280   5.894  54.975
  518    H2*    A  48           H2*        A  48   5.307   6.142  53.802
  519   2HO*    A  48          2HO*        A  48   3.420   6.901  55.001
  520    H1*    A  48           H1*        A  48   4.554   8.777  54.976
  521    H8     A  48           H8         A  48   6.633   8.317  51.756
  522   1H6     A  48          1H6         A  48   1.432   9.881  48.831
  523   2H6     A  48          2H6         A  48   3.115   9.522  48.653
  524    H2     A  48           H2         A  48   0.523   9.506  53.210
  525   1H5*    A  49          1H5*        A  49   3.629   2.868  58.336
  526   2H5*    A  49          2H5*        A  49   3.863   3.022  56.595
  527    H4*    A  49           H4*        A  49   2.065   4.623  58.356
  528    H3*    A  49           H3*        A  49   1.236   2.226  57.476
  529    H2*    A  49           H2*        A  49   1.783   2.529  55.078
  530   2HO*    A  49          2HO*        A  49  -0.253   1.932  55.025
  531    H1*    A  49           H1*        A  49   0.461   5.255  55.198
  532    H8     A  49           H8         A  49   4.076   4.153  54.239
  533   1H6     A  49          1H6         A  49   2.693   6.532  48.717
  534   2H6     A  49          2H6         A  49   3.921   5.783  49.680
  535    H2     A  49           H2         A  49  -0.940   6.850  51.332
  536   1H5*    G  50          1H5*        G  50  -3.775   1.741  56.826
  537   2H5*    G  50          2H5*        G  50  -2.466   2.172  55.724
  538    H4*    G  50           H4*        G  50  -4.756   3.918  56.451
  539    H3*    G  50           H3*        G  50  -4.611   2.000  54.076
  540    H2*    G  50           H2*        G  50  -5.776   3.756  52.775
  541   2HO*    G  50          2HO*        G  50  -6.750   5.427  53.652
  542    H1*    G  50           H1*        G  50  -4.318   5.883  53.679
  543    H8     G  50           H8         G  50  -1.406   3.712  53.358
  544    H1     G  50           H1         G  50  -4.012   5.056  47.656
  545   1H2     G  50          1H2         G  50  -6.084   5.912  47.917
  546   2H2     G  50          2H2         G  50  -6.726   6.114  49.495
  547   1H5*    C  51          1H5*        C  51  -8.753   2.395  54.094
  548   2H5*    C  51          2H5*        C  51  -9.400   0.757  54.009
  549    H4*    C  51           H4*        C  51 -10.221   2.104  52.257
  550    H3*    C  51           H3*        C  51  -8.442  -0.208  51.342
  551    H2*    C  51           H2*        C  51  -8.898   0.534  49.033
  552   2HO*    C  51          2HO*        C  51 -10.475   1.833  48.496
  553    H1*    C  51           H1*        C  51  -8.652   3.231  49.473
  554   1H4     C  51          1H4         C  51  -2.925   1.646  47.322
  555   2H4     C  51          2H4         C  51  -2.410   1.220  48.919
  556    H5     C  51           H5         C  51  -3.895   1.208  50.836
  557    H6     C  51           H6         C  51  -6.202   1.617  51.564
  558   1H5*    G  52          1H5*        G  52 -11.871  -0.412  48.841
  559   2H5*    G  52          2H5*        G  52 -12.213  -2.138  48.716
  560    H4*    G  52           H4*        G  52 -12.032  -1.113  46.592
  561    H3*    G  52           H3*        G  52  -9.888  -3.210  47.192
  562    H2*    G  52           H2*        G  52  -9.037  -2.799  44.916
  563   2HO*    G  52          2HO*        G  52 -10.138  -1.804  43.398
  564    H1*    G  52           H1*        G  52  -9.288  -0.061  44.932
  565    H8     G  52           H8         G  52  -7.902  -1.250  48.312
  566    H1     G  52           H1         G  52  -3.544  -0.285  43.710
  567   1H2     G  52          1H2         G  52  -4.558   0.090  41.729
  568   2H2     G  52          2H2         G  52  -6.271   0.086  41.639
  569   1H5*    C  53          1H5*        C  53 -11.584  -4.078  43.318
  570   2H5*    C  53          2H5*        C  53 -11.612  -5.839  43.218
  571    H4*    C  53           H4*        C  53 -10.546  -4.805  41.349
  572    H3*    C  53           H3*        C  53  -8.791  -6.655  43.037
  573    H2*    C  53           H2*        C  53  -6.984  -6.195  41.423
  574   2HO*    C  53          2HO*        C  53  -7.295  -5.367  39.503
  575    H1*    C  53           H1*        C  53  -7.433  -3.498  41.151
  576   1H4     C  53          1H4         C  53  -2.857  -3.518  45.485
  577   2H4     C  53          2H4         C  53  -3.954  -4.025  46.725
  578    H5     C  53           H5         C  53  -6.280  -4.562  46.303
  579    H6     C  53           H6         C  53  -8.002  -4.708  44.560
  580   1H5*    G  54          1H5*        G  54  -8.334  -8.120  38.989
  581   2H5*    G  54          2H5*        G  54  -7.942  -9.829  39.180
  582    H4*    G  54           H4*        G  54  -6.308  -8.443  37.991
  583    H3*    G  54           H3*        G  54  -5.393 -10.132  40.371
  584    H2*    G  54           H2*        G  54  -3.123  -9.287  39.935
  585   2HO*    G  54          2HO*        G  54  -2.528  -8.366  38.118
  586    H1*    G  54           H1*        G  54  -3.813  -6.677  39.389
  587    H8     G  54           H8         G  54  -5.889  -7.668  42.409
  588    H1     G  54           H1         G  54   0.170  -6.042  43.733
  589   1H2     G  54          1H2         G  54   1.375  -5.871  41.833
  590   2H2     G  54          2H2         G  54   0.620  -6.165  40.321
  591   1H5*    C  55          1H5*        C  55  -2.675 -11.684  37.807
  592   2H5*    C  55          2H5*        C  55  -2.824 -13.436  37.939
  593    H4*    C  55           H4*        C  55  -0.635 -12.809  38.388
  594    H3*    C  55           H3*        C  55  -2.089 -13.798  40.891
  595    H2*    C  55           H2*        C  55   0.007 -13.451  42.107
  596   2HO*    C  55          2HO*        C  55   1.582 -14.162  41.017
  597    H1*    C  55           H1*        C  55   0.777 -11.104  40.847
  598   1H4     C  55          1H4         C  55  -1.602  -8.797  46.200
  599   2H4     C  55          2H4         C  55  -3.210  -9.275  45.775
  600    H5     C  55           H5         C  55  -3.738 -10.501  43.751
  601    H6     C  55           H6         C  55  -2.780 -11.509  41.730
  602   1H5*    A  56          1H5*        A  56   0.407 -18.138  42.228
  603   2H5*    A  56          2H5*        A  56  -0.460 -17.010  43.270
  604    H4*    A  56           H4*        A  56   2.449 -17.319  42.777
  605    H3*    A  56           H3*        A  56   0.776 -17.554  45.288
  606    H2*    A  56           H2*        A  56   2.612 -16.493  46.532
  607   2HO*    A  56          2HO*        A  56   4.586 -16.225  45.748
  608    H1*    A  56           H1*        A  56   3.175 -14.455  44.845
  609    H8     A  56           H8         A  56  -0.437 -14.349  44.232
  610   1H6     A  56          1H6         A  56  -1.114 -11.710  49.768
  611   2H6     A  56          2H6         A  56  -1.879 -12.075  48.260
  612    H2     A  56           H2         A  56   3.046 -13.374  49.504
  613   1H5*    C  57          1H5*        C  57   4.276 -18.443  46.949
  614   2H5*    C  57          2H5*        C  57   4.085 -20.134  47.413
  615    H4*    C  57           H4*        C  57   4.965 -18.866  49.202
  616    H3*    C  57           H3*        C  57   2.202 -20.031  49.684
  617    H2*    C  57           H2*        C  57   2.241 -18.943  51.904
  618   2HO*    C  57          2HO*        C  57   3.983 -18.168  52.810
  619    H1*    C  57           H1*        C  57   3.137 -16.508  51.129
  620   1H4     C  57          1H4         C  57  -3.186 -16.089  50.718
  621   2H4     C  57          2H4         C  57  -3.047 -16.169  48.993
  622    H5     C  57           H5         C  57  -0.960 -16.629  47.849
  623    H6     C  57           H6         C  57   1.425 -17.105  48.179
  624   1H5*    G  58          1H5*        G  58   4.322 -20.747  53.090
  625   2H5*    G  58          2H5*        G  58   4.151 -22.449  53.520
  626    H4*    G  58           H4*        G  58   3.741 -20.899  55.328
  627    H3*    G  58           H3*        G  58   1.494 -22.833  54.584
  628    H2*    G  58           H2*        G  58   0.215 -21.833  56.455
  629   2HO*    G  58          2HO*        G  58   1.075 -20.658  57.975
  630    H1*    G  58           H1*        G  58   0.812 -19.220  55.926
  631    H8     G  58           H8         G  58   0.324 -19.994  52.417
  632    H1     G  58           H1         G  58  -5.129 -20.623  55.729
  633   1H2     G  58          1H2         G  58  -4.704 -20.701  57.943
  634   2H2     G  58          2H2         G  58  -3.085 -20.592  58.500
  635   1H5*    G  59          1H5*        G  59   1.939 -24.321  58.357
  636   2H5*    G  59          2H5*        G  59   1.796 -26.076  58.267
  637    H4*    G  59           H4*        G  59   0.072 -24.990  59.557
  638    H3*    G  59           H3*        G  59  -0.816 -26.678  57.168
  639    H2*    G  59           H2*        G  59  -3.134 -26.135  57.818
  640   2HO*    G  59          2HO*        G  59  -3.691 -25.423  59.709
  641    H1*    G  59           H1*        G  59  -2.727 -23.481  58.389
  642    H8     G  59           H8         G  59  -0.709 -23.747  55.273
  643    H1     G  59           H1         G  59  -7.030 -23.911  54.218
  644   1H2     G  59          1H2         G  59  -8.145 -24.235  56.153
  645   2H2     G  59          2H2         G  59  -7.270 -24.395  57.619
  646   1H5*    C  60          1H5*        C  60  -3.230 -28.315  60.327
  647   2H5*    C  60          2H5*        C  60  -3.089 -30.051  60.051
  648    H4*    C  60           H4*        C  60  -5.350 -29.330  60.202
  649    H3*    C  60           H3*        C  60  -4.527 -30.530  57.513
  650    H2*    C  60           H2*        C  60  -6.882 -30.201  56.814
  651   2HO*    C  60          2HO*        C  60  -8.466 -29.845  58.148
  652    H1*    C  60           H1*        C  60  -7.194 -27.682  57.824
  653   1H4     C  60          1H4         C  60  -5.490 -26.516  51.857
  654   2H4     C  60          2H4         C  60  -3.814 -26.623  52.278
  655    H5     C  60           H5         C  60  -3.038 -27.266  54.482
  656    H6     C  60           H6         C  60  -3.763 -27.937  56.728
  657   1H5*    A  61          1H5*        A  61  -8.235 -32.555  58.646
  658   2H5*    A  61          2H5*        A  61  -7.931 -34.207  58.106
  659    H4*    A  61           H4*        A  61  -9.988 -33.269  57.289
  660    H3*    A  61           H3*        A  61  -7.945 -34.159  55.197
  661    H2*    A  61           H2*        A  61  -9.619 -33.493  53.495
  662   2HO*    A  61          2HO*        A  61 -11.651 -33.184  53.904
  663    H1*    A  61           H1*        A  61 -10.346 -31.121  54.635
  664    H8     A  61           H8         A  61  -6.583 -31.465  55.130
  665   1H6     A  61          1H6         A  61  -6.047 -28.867  49.559
  666   2H6     A  61          2H6         A  61  -5.202 -29.391  50.976
  667    H2     A  61           H2         A  61 -10.381 -29.795  50.265
  668   1H5*    A  62          1H5*        A  62 -11.676 -36.277  54.052
  669   2H5*    A  62          2H5*        A  62 -11.052 -37.634  53.113
  670    H4*    A  62           H4*        A  62 -12.609 -35.994  52.030
  671    H3*    A  62           H3*        A  62 -10.047 -36.948  50.662
  672    H2*    A  62           H2*        A  62 -10.703 -35.503  48.758
  673   2HO*    A  62          2HO*        A  62 -12.633 -34.741  48.473
  674    H1*    A  62           H1*        A  62 -11.445 -33.319  50.221
  675    H8     A  62           H8         A  62  -8.415 -34.496  52.098
  676   1H6     A  62          1H6         A  62  -5.038 -31.587  47.832
  677   2H6     A  62          2H6         A  62  -5.017 -32.382  49.369
  678    H2     A  62           H2         A  62  -9.291 -31.718  46.407
  679   1H5*    G  63          1H5*        G  63 -12.790 -37.898  47.473
  680   2H5*    G  63          2H5*        G  63 -12.002 -39.301  46.750
  681    H4*    G  63           H4*        G  63 -12.321 -37.271  45.357
  682    H3*    G  63           H3*        G  63  -9.603 -38.664  45.507
  683    H2*    G  63           H2*        G  63  -8.788 -36.962  43.924
  684   2HO*    G  63          2HO*        G  63 -10.060 -35.715  42.762
  685    H1*    G  63           H1*        G  63 -10.061 -34.795  45.046
  686    H8     G  63           H8         G  63  -8.860 -36.324  48.181
  687    H1     G  63           H1         G  63  -4.100 -33.864  44.659
  688   1H2     G  63          1H2         G  63  -4.814 -33.424  42.563
  689   2H2     G  63          2H2         G  63  -6.440 -33.759  42.134
  690   1H5*    A  64          1H5*        A  64 -11.050 -40.014  41.680
  691   2H5*    A  64          2H5*        A  64 -10.336 -41.554  41.203
  692    H4*    A  64           H4*        A  64  -9.524 -39.350  40.175
  693    H3*    A  64           H3*        A  64  -8.085 -41.818  40.597
  694    H2*    A  64           H2*        A  64  -6.261 -40.896  41.758
  695   2HO*    A  64          2HO*        A  64  -5.942 -39.473  39.360
  696    H1*    A  64           H1*        A  64  -6.880 -38.087  40.744
  697    H8     A  64           H8         A  64  -7.302 -39.008  44.409
  698   1H6     A  64          1H6         A  64  -2.006 -35.963  45.270
  699   2H6     A  64          2H6         A  64  -3.346 -36.739  46.042
  700    H2     A  64           H2         A  64  -2.702 -36.348  40.854
  701   1H5*    G  65          1H5*        G  65  -5.523 -43.871  38.836
  702   2H5*    G  65          2H5*        G  65  -5.999 -42.697  40.062
  703    H4*    G  65           H4*        G  65  -3.454 -43.323  39.031
  704    H3*    G  65           H3*        G  65  -4.455 -42.000  41.425
  705    H2*    G  65           H2*        G  65  -3.523 -39.904  40.976
  706   2HO*    G  65          2HO*        G  65  -1.443 -39.735  41.365
  707    H1*    G  65           H1*        G  65  -1.660 -41.004  38.832
  708    H8     G  65           H8         G  65  -4.554 -38.860  37.714
  709    H1     G  65           H1         G  65   0.981 -35.743  38.581
  710   1H2     G  65          1H2         G  65   2.476 -37.065  39.635
  711   2H2     G  65          2H2         G  65   2.032 -38.663  40.074
  712   1H5*    G  66          1H5*        G  66  -0.815 -45.200  41.929
  713   2H5*    G  66          2H5*        G  66  -0.013 -44.880  43.467
  714    H4*    G  66           H4*        G  66  -0.593 -43.062  41.195
  715    H3*    G  66           H3*        G  66   1.893 -44.203  42.173
  716    H2*    G  66           H2*        G  66   2.573 -42.344  43.423
  717   2HO*    G  66          2HO*        G  66   2.404 -41.084  40.920
  718    H1*    G  66           H1*        G  66   0.598 -40.491  42.026
  719    H8     G  66           H8         G  66  -0.111 -41.348  45.620
  720    H1     G  66           H1         G  66   3.239 -35.955  44.731
  721   1H2     G  66          1H2         G  66   3.946 -35.807  42.593
  722   2H2     G  66          2H2         G  66   3.553 -37.054  41.482
  723   1H5*    C  67          1H5*        C  67   5.001 -44.683  38.678
  724   2H5*    C  67          2H5*        C  67   6.043 -44.240  40.031
  725    H4*    C  67           H4*        C  67   5.186 -42.745  37.741
  726    H3*    C  67           H3*        C  67   7.519 -42.516  39.653
  727    H2*    C  67           H2*        C  67   7.643 -40.121  39.115
  728   2HO*    C  67          2HO*        C  67   7.342 -40.200  36.979
  729    H1*    C  67           H1*        C  67   5.020 -39.485  39.280
  730   1H4     C  67          1H4         C  67   7.022 -38.563  45.200
  731   2H4     C  67          2H4         C  67   6.511 -40.160  45.631
  732    H5     C  67           H5         C  67   5.683 -41.770  44.019
  733    H6     C  67           H6         C  67   5.189 -42.129  41.642
  734   1H5*    G  68          1H5*        G  68  10.124 -41.173  36.950
  735   2H5*    G  68          2H5*        G  68  11.352 -42.438  36.932
  736    H4*    G  68           H4*        G  68  12.345 -40.430  37.585
  737    H3*    G  68           H3*        G  68  12.181 -42.473  39.825
  738    H2*    G  68           H2*        G  68  13.225 -40.791  41.305
  739   2HO*    G  68          2HO*        G  68  14.191 -39.044  40.614
  740    H1*    G  68           H1*        G  68  11.715 -38.655  40.604
  741    H8     G  68           H8         G  68   9.114 -41.344  40.380
  742    H1     G  68           H1         G  68  10.594 -39.645  46.382
  743   1H2     G  68          1H2         G  68  12.462 -38.379  46.406
  744   2H2     G  68          2H2         G  68  13.257 -38.011  44.931
  745   1H5*    U  69          1H5*        U  69  16.052 -40.918  40.195
  746   2H5*    U  69          2H5*        U  69  17.085 -42.331  40.410
  747    H4*    U  69           H4*        U  69  17.404 -40.689  42.104
  748    H3*    U  69           H3*        U  69  16.367 -43.400  43.067
  749    H2*    U  69           H2*        U  69  16.480 -42.468  45.356
  750   2HO*    U  69          2HO*        U  69  17.537 -40.706  45.864
  751    H1*    U  69           H1*        U  69  15.403 -40.017  44.788
  752    H3     U  69           H3         U  69  12.071 -41.897  47.085
  753    H5     U  69           H5         U  69  11.789 -43.654  43.288
  754    H6     U  69           H6         U  69  13.846 -42.555  42.700
  755   1H5*    C  70          1H5*        C  70  19.546 -42.885  45.845
  756   2H5*    C  70          2H5*        C  70  20.360 -44.443  45.707
  757    H4*    C  70           H4*        C  70  19.857 -43.959  47.941
  758    H3*    C  70           H3*        C  70  18.283 -46.323  46.811
  759    H2*    C  70           H2*        C  70  17.205 -46.557  48.958
  760   2HO*    C  70          2HO*        C  70  18.007 -45.809  50.798
  761    H1*    C  70           H1*        C  70  17.136 -43.835  49.663
  762   1H4     C  70          1H4         C  70  11.097 -45.163  48.377
  763   2H4     C  70          2H4         C  70  11.387 -45.008  46.677
  764    H5     C  70           H5         C  70  13.590 -44.642  45.734
  765    H6     C  70           H6         C  70  15.963 -44.354  46.283
  766    H3T    C  70           H3T        C  70  19.823 -46.955  48.724
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   1.880 -47.265  57.408
    2   2H5*    G   1          2H5*        G   1   1.947 -48.162  55.872
    3    H4*    G   1           H4*        G   1   4.192 -47.653  57.777
    4    H3*    G   1           H3*        G   1   3.511 -46.184  55.203
    5    H2*    G   1           H2*        G   1   5.936 -46.120  54.722
    6   2HO*    G   1          2HO*        G   1   7.441 -46.578  56.153
    7    H1*    G   1           H1*        G   1   6.512 -48.702  55.315
    8    H8     G   1           H8         G   1   3.041 -48.874  53.773
    9    H1     G   1           H1         G   1   7.864 -48.516  49.564
   10   1H2     G   1          1H2         G   1   9.798 -48.033  50.620
   11   2H2     G   1          2H2         G   1   9.806 -47.824  52.322
   12    H5T    G   1           H5T        G   1   1.255 -49.471  57.636
   13   1H5*    A   2          1H5*        A   2   6.876 -44.181  56.723
   14   2H5*    A   2          2H5*        A   2   6.415 -42.479  56.659
   15    H4*    A   2           H4*        A   2   8.521 -42.860  55.658
   16    H3*    A   2           H3*        A   2   6.352 -41.891  53.732
   17    H2*    A   2           H2*        A   2   8.078 -41.912  51.979
   18   2HO*    A   2          2HO*        A   2  10.156 -41.960  52.359
   19    H1*    A   2           H1*        A   2   9.296 -44.273  52.706
   20    H8     A   2           H8         A   2   5.620 -45.034  52.991
   21   1H6     A   2          1H6         A   2   5.693 -46.017  46.901
   22   2H6     A   2          2H6         A   2   4.773 -46.167  48.358
   23    H2     A   2           H2         A   2   9.603 -44.148  48.069
   24   1H5*    C   3          1H5*        C   3   9.463 -39.403  52.759
   25   2H5*    C   3          2H5*        C   3   8.760 -37.793  52.611
   26    H4*    C   3           H4*        C   3   9.968 -38.509  50.674
   27    H3*    C   3           H3*        C   3   7.002 -37.884  50.285
   28    H2*    C   3           H2*        C   3   7.248 -38.449  47.951
   29   2HO*    C   3          2HO*        C   3   9.063 -38.353  46.883
   30    H1*    C   3           H1*        C   3   9.180 -40.472  48.240
   31   1H4     C   3          1H4         C   3   3.824 -43.498  46.718
   32   2H4     C   3          2H4         C   3   3.446 -43.680  48.397
   33    H5     C   3           H5         C   3   4.745 -42.652  50.167
   34    H6     C   3           H6         C   3   6.689 -41.231  50.639
   35   1H5*    G   4          1H5*        G   4   9.271 -35.772  47.166
   36   2H5*    G   4          2H5*        G   4   8.540 -34.168  47.203
   37    H4*    G   4           H4*        G   4   8.782 -35.089  44.996
   38    H3*    G   4           H3*        G   4   5.947 -34.392  45.902
   39    H2*    G   4           H2*        G   4   5.207 -35.106  43.653
   40   2HO*    G   4          2HO*        G   4   6.486 -35.329  42.005
   41    H1*    G   4           H1*        G   4   6.737 -37.368  43.484
   42    H8     G   4           H8         G   4   5.571 -37.404  47.075
   43    H1     G   4           H1         G   4   1.163 -39.343  42.843
   44   1H2     G   4          1H2         G   4   1.829 -38.873  40.737
   45   2H2     G   4          2H2         G   4   3.340 -38.102  40.478
   46   1H5*    G   5          1H5*        G   5   3.885 -31.003  43.041
   47   2H5*    G   5          2H5*        G   5   3.227 -32.234  44.120
   48    H4*    G   5           H4*        G   5   3.775 -32.473  41.199
   49    H3*    G   5           H3*        G   5   1.134 -31.998  42.619
   50    H2*    G   5           H2*        G   5   0.099 -33.572  41.024
   51   2HO*    G   5          2HO*        G   5   1.003 -34.204  39.229
   52    H1*    G   5           H1*        G   5   1.959 -35.538  41.136
   53    H8     G   5           H8         G   5   2.216 -34.705  44.705
   54    H1     G   5           H1         G   5  -3.399 -37.417  43.218
   55   1H2     G   5          1H2         G   5  -3.711 -37.413  40.983
   56   2H2     G   5          2H2         G   5  -2.510 -36.739  39.960
   57   1H5*    C   6          1H5*        C   6  -0.278 -31.654  38.961
   58   2H5*    C   6          2H5*        C   6  -1.095 -30.096  38.861
   59    H4*    C   6           H4*        C   6  -2.540 -31.819  38.204
   60    H3*    C   6           H3*        C   6  -3.363 -30.468  40.817
   61    H2*    C   6           H2*        C   6  -5.329 -31.975  40.811
   62   2HO*    C   6          2HO*        C   6  -5.832 -33.242  39.101
   63    H1*    C   6           H1*        C   6  -4.008 -34.267  40.132
   64   1H4     C   6          1H4         C   6  -4.008 -34.570  46.439
   65   2H4     C   6          2H4         C   6  -2.571 -33.607  46.520
   66    H5     C   6           H5         C   6  -1.541 -32.592  44.574
   67    H6     C   6           H6         C   6  -1.724 -32.322  42.142
   68   1H5*    U   7          1H5*        U   7  -7.073 -30.037  38.726
   69   2H5*    U   7          2H5*        U   7  -7.375 -28.312  38.927
   70    H4*    U   7           H4*        U   7  -9.248 -29.533  39.592
   71    H3*    U   7           H3*        U   7  -7.832 -28.160  41.929
   72    H2*    U   7           H2*        U   7  -9.615 -29.066  43.369
   73   2HO*    U   7          2HO*        U   7 -11.459 -29.803  42.652
   74    H1*    U   7           H1*        U   7  -9.741 -31.571  42.240
   75    H3     U   7           H3         U   7  -8.011 -32.392  46.290
   76    H5     U   7           H5         U   7  -4.748 -31.046  44.026
   77    H6     U   7           H6         U   7  -6.285 -30.510  42.255
   78   1H5*    U   8          1H5*        U   8 -11.871 -27.188  42.405
   79   2H5*    U   8          2H5*        U   8 -11.917 -25.535  43.017
   80    H4*    U   8           H4*        U   8 -13.049 -27.213  44.367
   81    H3*    U   8           H3*        U   8 -10.898 -25.480  45.674
   82    H2*    U   8           H2*        U   8 -11.286 -26.666  47.743
   83   2HO*    U   8          2HO*        U   8 -13.080 -27.744  48.195
   84    H1*    U   8           H1*        U   8 -11.883 -29.183  46.644
   85    H3     U   8           H3         U   8  -8.362 -29.811  49.405
   86    H5     U   8           H5         U   8  -6.704 -28.470  45.795
   87    H6     U   8           H6         U   8  -8.934 -27.998  45.024
   88   1H5*    G   9          1H5*        G   9 -14.730 -25.449  47.997
   89   2H5*    G   9          2H5*        G   9 -14.837 -23.786  48.573
   90    H4*    G   9           H4*        G   9 -15.276 -25.431  50.275
   91    H3*    G   9           H3*        G   9 -12.966 -23.506  50.747
   92    H2*    G   9           H2*        G   9 -12.590 -24.666  52.901
   93   2HO*    G   9          2HO*        G   9 -13.978 -26.012  53.779
   94    H1*    G   9           H1*        G   9 -12.778 -27.216  51.987
   95    H8     G   9           H8         G   9 -11.062 -25.223  49.212
   96    H1     G   9           H1         G   9  -7.204 -27.313  53.886
   97   1H2     G   9          1H2         G   9  -8.416 -28.149  55.596
   98   2H2     G   9          2H2         G   9 -10.129 -28.151  55.499
   99   1H5*    C  10          1H5*        C  10 -14.823 -23.506  54.454
  100   2H5*    C  10          2H5*        C  10 -15.030 -21.796  54.836
  101    H4*    C  10           H4*        C  10 -13.973 -22.873  56.614
  102    H3*    C  10           H3*        C  10 -12.126 -20.941  55.136
  103    H2*    C  10           H2*        C  10 -10.394 -21.546  56.800
  104   2HO*    C  10          2HO*        C  10 -10.798 -22.549  58.613
  105    H1*    C  10           H1*        C  10 -10.813 -24.242  56.774
  106   1H4     C  10          1H4         C  10  -6.243 -23.646  52.467
  107   2H4     C  10          2H4         C  10  -7.391 -23.223  51.243
  108    H5     C  10           H5         C  10  -9.754 -22.912  51.689
  109    H6     C  10           H6         C  10 -11.467 -22.953  53.446
  110   1H5*    U  11          1H5*        U  11 -11.520 -19.917  59.055
  111   2H5*    U  11          2H5*        U  11 -11.419 -18.157  59.126
  112    H4*    U  11           H4*        U  11  -9.496 -19.178  60.044
  113    H3*    U  11           H3*        U  11  -8.988 -17.536  57.520
  114    H2*    U  11           H2*        U  11  -6.593 -18.100  57.805
  115   2HO*    U  11          2HO*        U  11  -5.769 -18.893  59.580
  116    H1*    U  11           H1*        U  11  -6.923 -20.748  58.370
  117    H3     U  11           H3         U  11  -5.295 -21.000  54.228
  118    H5     U  11           H5         U  11  -9.302 -19.899  53.659
  119    H6     U  11           H6         U  11  -9.504 -19.660  56.045
  120   1H5*    G  12          1H5*        G  12  -6.130 -16.541  60.332
  121   2H5*    G  12          2H5*        G  12  -5.924 -14.788  60.332
  122    H4*    G  12           H4*        G  12  -3.881 -16.070  60.150
  123    H3*    G  12           H3*        G  12  -4.535 -14.020  58.011
  124    H2*    G  12           H2*        G  12  -2.722 -14.711  56.684
  125   2HO*    G  12          2HO*        G  12  -0.856 -15.376  57.460
  126    H1*    G  12           H1*        G  12  -2.384 -17.357  57.791
  127    H8     G  12           H8         G  12  -5.631 -17.433  56.002
  128    H1     G  12           H1         G  12  -0.584 -17.621  52.051
  129   1H2     G  12          1H2         G  12   1.305 -17.071  53.157
  130   2H2     G  12          2H2         G  12   1.228 -16.685  54.826
  131   1H5*    A  13          1H5*        A  13  -1.336 -12.747  60.429
  132   2H5*    A  13          2H5*        A  13  -0.913 -11.052  60.668
  133    H4*    A  13           H4*        A  13   0.599 -12.265  59.233
  134    H3*    A  13           H3*        A  13  -0.740  -9.771  58.246
  135    H2*    A  13           H2*        A  13  -0.362 -10.215  56.009
  136   2HO*    A  13          2HO*        A  13   2.087 -11.281  56.860
  137    H1*    A  13           H1*        A  13   0.676 -12.963  56.354
  138    H8     A  13           H8         A  13  -3.088 -12.142  56.150
  139   1H6     A  13          1H6         A  13  -2.660 -14.116  50.320
  140   2H6     A  13          2H6         A  13  -3.731 -13.578  51.569
  141    H2     A  13           H2         A  13   1.468 -14.017  52.076
  142   1H5*    A  14          1H5*        A  14   1.994  -6.311  58.169
  143   2H5*    A  14          2H5*        A  14   0.575  -5.959  57.183
  144    H4*    A  14           H4*        A  14   2.762  -7.920  56.776
  145    H3*    A  14           H3*        A  14   2.223  -5.503  55.445
  146    H2*    A  14           H2*        A  14   0.501  -6.293  53.983
  147   2HO*    A  14          2HO*        A  14   2.688  -7.610  52.831
  148    H1*    A  14           H1*        A  14   1.728  -9.085  54.013
  149    H8     A  14           H8         A  14  -1.778  -8.181  55.311
  150   1H6     A  14          1H6         A  14  -3.805 -11.212  50.334
  151   2H6     A  14          2H6         A  14  -4.258 -10.421  51.805
  152    H2     A  14           H2         A  14   0.666 -10.912  50.073
  153   1H5*    G  15          1H5*        G  15   5.423  -5.032  51.458
  154   2H5*    G  15          2H5*        G  15   3.815  -5.749  51.370
  155    H4*    G  15           H4*        G  15   6.388  -7.152  50.773
  156    H3*    G  15           H3*        G  15   4.663  -5.620  48.832
  157    H2*    G  15           H2*        G  15   4.791  -7.509  47.288
  158   2HO*    G  15          2HO*        G  15   6.857  -8.047  47.445
  159    H1*    G  15           H1*        G  15   4.323  -9.569  48.977
  160    H8     G  15           H8         G  15   1.932  -7.620  50.791
  161    H1     G  15           H1         G  15   0.047  -8.490  44.725
  162   1H2     G  15          1H2         G  15   1.780  -9.173  43.449
  163   2H2     G  15          2H2         G  15   3.325  -9.384  44.163
  164   1H5*    C  16          1H5*        C  16   7.924  -5.619  46.299
  165   2H5*    C  16          2H5*        C  16   8.162  -3.951  45.774
  166    H4*    C  16           H4*        C  16   7.689  -5.438  43.972
  167    H3*    C  16           H3*        C  16   5.653  -3.202  44.423
  168    H2*    C  16           H2*        C  16   4.462  -4.076  42.444
  169   2HO*    C  16          2HO*        C  16   5.315  -5.402  41.039
  170    H1*    C  16           H1*        C  16   4.691  -6.743  43.045
  171   1H4     C  16          1H4         C  16  -1.019  -5.188  45.292
  172   2H4     C  16          2H4         C  16  -0.330  -4.857  46.846
  173    H5     C  16           H5         C  16   2.055  -4.884  47.273
  174    H6     C  16           H6         C  16   4.254  -5.244  46.245
  175   1H5*    G  17          1H5*        G  17   6.406  -3.114  40.205
  176   2H5*    G  17          2H5*        G  17   6.659  -1.394  39.910
  177    H4*    G  17           H4*        G  17   5.088  -2.256  38.399
  178    H3*    G  17           H3*        G  17   3.908  -0.273  40.394
  179    H2*    G  17           H2*        G  17   1.745  -0.595  39.233
  180   2HO*    G  17          2HO*        G  17   1.545  -1.515  37.340
  181    H1*    G  17           H1*        G  17   1.847  -3.310  39.039
  182    H8     G  17           H8         G  17   3.338  -2.256  42.423
  183    H1     G  17           H1         G  17  -3.023  -3.044  42.299
  184   1H2     G  17          1H2         G  17  -3.740  -3.350  40.182
  185   2H2     G  17          2H2         G  17  -2.606  -3.346  38.894
  186   1H5*    C  18          1H5*        C  18   2.512   0.823  36.484
  187   2H5*    C  18          2H5*        C  18   2.464   2.585  36.493
  188    H4*    C  18           H4*        C  18   0.400   1.560  35.831
  189    H3*    C  18           H3*        C  18   0.309   3.341  38.314
  190    H2*    C  18           H2*        C  18  -2.113   2.884  38.389
  191   2HO*    C  18          2HO*        C  18  -3.223   2.113  36.773
  192    H1*    C  18           H1*        C  18  -1.984   0.201  37.822
  193   1H4     C  18          1H4         C  18  -2.255   0.114  44.120
  194   2H4     C  18          2H4         C  18  -0.584   0.547  44.251
  195    H5     C  18           H5         C  18   0.806   1.071  42.336
  196    H6     C  18           H6         C  18   0.826   1.274  39.890
  197   1H5*    G  19          1H5*        G  19  -2.934   4.723  35.930
  198   2H5*    G  19          2H5*        G  19  -2.966   6.466  36.200
  199    H4*    G  19           H4*        G  19  -5.042   5.386  36.693
  200    H3*    G  19           H3*        G  19  -3.680   6.827  39.020
  201    H2*    G  19           H2*        G  19  -5.643   6.178  40.381
  202   2HO*    G  19          2HO*        G  19  -7.468   5.495  39.572
  203    H1*    G  19           H1*        G  19  -5.841   3.597  39.497
  204    H8     G  19           H8         G  19  -2.116   4.398  39.881
  205    H1     G  19           H1         G  19  -5.098   2.533  45.242
  206   1H2     G  19          1H2         G  19  -7.328   2.443  44.914
  207   2H2     G  19          2H2         G  19  -7.977   2.847  43.378
  208   1H5*    C  20          1H5*        C  20  -7.659   8.131  39.185
  209   2H5*    C  20          2H5*        C  20  -7.571   9.849  39.574
  210    H4*    C  20           H4*        C  20  -8.947   8.618  41.080
  211    H3*    C  20           H3*        C  20  -6.494   9.964  42.316
  212    H2*    C  20           H2*        C  20  -7.273   9.103  44.485
  213   2HO*    C  20          2HO*        C  20  -9.241   8.379  44.840
  214    H1*    C  20           H1*        C  20  -8.052   6.607  43.619
  215   1H4     C  20          1H4         C  20  -2.312   5.403  45.937
  216   2H4     C  20          2H4         C  20  -1.548   6.065  44.532
  217    H5     C  20           H5         C  20  -2.774   7.122  42.728
  218    H6     C  20           H6         C  20  -5.016   7.741  41.943
  219   1H5*    A  21          1H5*        A  21  -6.684  13.658  44.774
  220   2H5*    A  21          2H5*        A  21  -5.780  12.179  45.099
  221    H4*    A  21           H4*        A  21  -8.115  13.274  46.632
  222    H3*    A  21           H3*        A  21  -5.195  13.530  47.210
  223    H2*    A  21           H2*        A  21  -5.527  12.672  49.432
  224   2HO*    A  21          2HO*        A  21  -7.382  12.628  50.450
  225    H1*    A  21           H1*        A  21  -7.168  10.553  49.073
  226    H8     A  21           H8         A  21  -5.381  10.082  45.919
  227   1H6     A  21          1H6         A  21  -0.722   7.707  49.191
  228   2H6     A  21          2H6         A  21  -1.395   7.913  47.610
  229    H2     A  21           H2         A  21  -3.537   9.747  52.031
  230   1H5*    C  22          1H5*        C  22  -6.850  15.100  50.566
  231   2H5*    C  22          2H5*        C  22  -6.212  16.737  50.719
  232    H4*    C  22           H4*        C  22  -6.056  15.402  52.737
  233    H3*    C  22           H3*        C  22  -3.510  16.595  51.585
  234    H2*    C  22           H2*        C  22  -2.284  15.503  53.435
  235   2HO*    C  22          2HO*        C  22  -3.204  14.711  55.157
  236    H1*    C  22           H1*        C  22  -3.445  13.059  53.276
  237   1H4     C  22          1H4         C  22   1.564  12.760  49.374
  238   2H4     C  22          2H4         C  22   0.467  12.761  48.035
  239    H5     C  22           H5         C  22  -1.918  13.134  48.272
  240    H6     C  22           H6         C  22  -3.707  13.584  49.890
  241   1H5*    G  23          1H5*        G  23  -3.325  17.462  55.595
  242   2H5*    G  23          2H5*        G  23  -2.967  19.181  55.769
  243    H4*    G  23           H4*        G  23  -1.569  17.652  57.057
  244    H3*    G  23           H3*        G  23  -0.220  19.650  55.176
  245    H2*    G  23           H2*        G  23   1.930  18.744  55.972
  246   2HO*    G  23          2HO*        G  23   2.162  17.623  57.730
  247    H1*    G  23           H1*        G  23   1.224  16.089  55.950
  248    H8     G  23           H8         G  23  -0.320  16.972  52.726
  249    H1     G  23           H1         G  23   6.086  17.129  52.500
  250   1H2     G  23          1H2         G  23   6.950  17.103  54.585
  251   2H2     G  23          2H2         G  23   5.899  17.045  55.938
  252   1H5*    G  24          1H5*        G  24   1.766  20.848  58.688
  253   2H5*    G  24          2H5*        G  24   1.963  22.590  58.498
  254    H4*    G  24           H4*        G  24   4.017  21.278  58.684
  255    H3*    G  24           H3*        G  24   3.656  23.140  56.287
  256    H2*    G  24           H2*        G  24   5.919  22.436  55.580
  257   2HO*    G  24          2HO*        G  24   7.308  21.500  56.840
  258    H1*    G  24           H1*        G  24   5.625  19.762  56.086
  259    H8     G  24           H8         G  24   2.277  20.525  54.605
  260    H1     G  24           H1         G  24   7.014  20.330  50.288
  261   1H2     G  24          1H2         G  24   9.022  20.334  51.318
  262   2H2     G  24          2H2         G  24   9.096  20.384  53.031
  263   1H5*    C  25          1H5*        C  25   7.507  24.436  57.718
  264   2H5*    C  25          2H5*        C  25   7.353  26.190  57.625
  265    H4*    C  25           H4*        C  25   9.275  25.364  56.483
  266    H3*    C  25           H3*        C  25   7.211  26.801  54.746
  267    H2*    C  25           H2*        C  25   8.768  26.436  52.854
  268   2HO*    C  25          2HO*        C  25  10.789  25.902  53.076
  269    H1*    C  25           H1*        C  25   9.385  23.833  53.413
  270   1H4     C  25          1H4         C  25   4.606  23.245  49.324
  271   2H4     C  25          2H4         C  25   3.453  23.331  50.613
  272    H5     C  25           H5         C  25   4.067  23.784  52.914
  273    H6     C  25           H6         C  25   5.953  24.246  54.414
  274   1H5*    A  26          1H5*        A  26  11.077  28.567  53.737
  275   2H5*    A  26          2H5*        A  26  10.665  30.268  53.521
  276    H4*    A  26           H4*        A  26  11.858  29.301  51.670
  277    H3*    A  26           H3*        A  26   9.090  30.457  51.084
  278    H2*    A  26           H2*        A  26   9.503  29.853  48.717
  279   2HO*    A  26          2HO*        A  26  11.389  29.422  47.926
  280    H1*    A  26           H1*        A  26  10.528  27.361  49.170
  281    H8     A  26           H8         A  26   7.701  27.795  51.675
  282   1H6     A  26          1H6         A  26   3.970  25.789  47.190
  283   2H6     A  26          2H6         A  26   4.094  26.196  48.868
  284    H2     A  26           H2         A  26   8.036  26.500  45.425
  285   1H5*    A  27          1H5*        A  27  11.773  32.568  48.152
  286   2H5*    A  27          2H5*        A  27  10.778  33.968  47.757
  287    H4*    A  27           H4*        A  27  11.462  32.291  45.974
  288    H3*    A  27           H3*        A  27   8.673  33.531  46.152
  289    H2*    A  27           H2*        A  27   8.100  32.182  44.162
  290   2HO*    A  27          2HO*        A  27   9.510  31.315  42.882
  291    H1*    A  27           H1*        A  27   9.306  29.855  44.957
  292    H8     A  27           H8         A  27   7.788  30.956  48.180
  293   1H6     A  27          1H6         A  27   2.417  28.757  46.089
  294   2H6     A  27          2H6         A  27   3.271  29.357  47.469
  295    H2     A  27           H2         A  27   5.318  28.864  42.668
  296   1H5*    G  28          1H5*        G  28   9.499  34.443  42.009
  297   2H5*    G  28          2H5*        G  28   8.767  36.042  41.863
  298    H4*    G  28           H4*        G  28   7.923  34.353  40.331
  299    H3*    G  28           H3*        G  28   5.928  35.791  42.147
  300    H2*    G  28           H2*        G  28   4.167  34.465  41.021
  301   2HO*    G  28          2HO*        G  28   4.462  33.404  39.210
  302    H1*    G  28           H1*        G  28   5.482  32.065  41.029
  303    H8     G  28           H8         G  28   6.401  33.311  44.430
  304    H1     G  28           H1         G  28   0.329  31.301  43.988
  305   1H2     G  28          1H2         G  28  -0.256  31.023  41.826
  306   2H2     G  28          2H2         G  28   0.889  31.347  40.590
  307   1H5*    A  29          1H5*        A  29   4.203  39.961  39.303
  308   2H5*    A  29          2H5*        A  29   3.964  38.769  40.581
  309    H4*    A  29           H4*        A  29   4.050  38.029  37.712
  310    H3*    A  29           H3*        A  29   2.056  39.741  38.206
  311    H2*    A  29           H2*        A  29   1.224  38.701  40.302
  312   2HO*    A  29          2HO*        A  29  -0.250  37.305  38.390
  313    H1*    A  29           H1*        A  29   1.250  36.018  38.895
  314    H8     A  29           H8         A  29   3.574  36.544  41.851
  315   1H6     A  29          1H6         A  29  -0.716  33.661  45.219
  316   2H6     A  29          2H6         A  29   0.894  34.291  45.199
  317    H2     A  29           H2         A  29  -2.434  34.477  41.154
  318   1H5*    G  30          1H5*        G  30  -1.039  37.611  36.437
  319   2H5*    G  30          2H5*        G  30  -1.538  38.564  35.038
  320    H4*    G  30           H4*        G  30  -3.050  39.801  36.243
  321    H3*    G  30           H3*        G  30  -1.404  39.706  38.502
  322    H2*    G  30           H2*        G  30  -2.277  37.694  39.480
  323   2HO*    G  30          2HO*        G  30  -3.993  38.144  40.784
  324    H1*    G  30           H1*        G  30  -5.019  38.297  38.289
  325    H8     G  30           H8         G  30  -3.040  35.185  37.281
  326    H1     G  30           H1         G  30  -7.691  34.262  41.597
  327   1H2     G  30          1H2         G  30  -8.505  36.240  42.315
  328   2H2     G  30          2H2         G  30  -7.858  37.701  41.691
  329   1H5*    G  31          1H5*        G  31  -1.504  43.485  40.342
  330   2H5*    G  31          2H5*        G  31  -0.084  42.514  40.728
  331    H4*    G  31           H4*        G  31  -2.832  41.373  40.670
  332    H3*    G  31           H3*        G  31  -2.103  43.299  42.643
  333    H2*    G  31           H2*        G  31  -0.931  41.845  44.098
  334   2HO*    G  31          2HO*        G  31  -2.205  40.892  45.482
  335    H1*    G  31           H1*        G  31  -2.426  39.425  42.998
  336    H8     G  31           H8         G  31  -1.469  37.618  44.544
  337    H1     G  31           H1         G  31   4.488  39.782  43.583
  338   1H2     G  31          1H2         G  31   4.453  41.670  42.347
  339   2H2     G  31          2H2         G  31   2.952  42.309  41.819
  340   1H5*    C  32          1H5*        C  32  -6.983  43.379  44.224
  341   2H5*    C  32          2H5*        C  32  -5.428  42.547  44.192
  342    H4*    C  32           H4*        C  32  -7.348  41.795  42.119
  343    H3*    C  32           H3*        C  32  -8.201  41.429  44.978
  344    H2*    C  32           H2*        C  32  -8.616  39.074  44.536
  345   2HO*    C  32          2HO*        C  32  -9.584  39.334  42.568
  346    H1*    C  32           H1*        C  32  -6.402  38.377  43.148
  347   1H4     C  32          1H4         C  32  -4.685  37.410  49.152
  348   2H4     C  32          2H4         C  32  -3.806  38.901  49.123
  349    H5     C  32           H5         C  32  -3.897  40.462  47.270
  350    H6     C  32           H6         C  32  -4.882  40.866  45.060
  351   1H5*    G  33          1H5*        G  33 -12.210  40.761  44.019
  352   2H5*    G  33          2H5*        G  33 -12.971  42.188  44.723
  353    H4*    G  33           H4*        G  33 -13.870  40.280  45.731
  354    H3*    G  33           H3*        G  33 -12.150  41.943  47.590
  355    H2*    G  33           H2*        G  33 -12.522  40.241  49.331
  356   2HO*    G  33          2HO*        G  33 -14.010  38.732  49.221
  357    H1*    G  33           H1*        G  33 -12.072  38.017  47.855
  358    H8     G  33           H8         G  33  -9.523  40.174  46.227
  359    H1     G  33           H1         G  33  -7.887  38.320  52.143
  360   1H2     G  33          1H2         G  33  -9.671  37.450  53.219
  361   2H2     G  33          2H2         G  33 -11.185  37.367  52.419
  362   1H5*    U  34          1H5*        U  34 -15.313  40.804  49.965
  363   2H5*    U  34          2H5*        U  34 -15.918  42.292  50.692
  364    H4*    U  34           H4*        U  34 -15.536  40.603  52.308
  365    H3*    U  34           H3*        U  34 -13.772  43.084  52.593
  366    H2*    U  34           H2*        U  34 -12.829  42.002  54.609
  367   2HO*    U  34          2HO*        U  34 -13.709  40.341  55.583
  368    H1*    U  34           H1*        U  34 -12.550  39.493  53.558
  369    H3     U  34           H3         U  34  -8.287  40.783  53.768
  370    H5     U  34           H5         U  34  -9.773  42.786  50.397
  371    H6     U  34           H6         U  34 -11.967  41.982  50.971
  372   1H5*    C  35          1H5*        C  35 -15.167  42.700  56.551
  373   2H5*    C  35          2H5*        C  35 -15.782  44.317  56.893
  374    H4*    C  35           H4*        C  35 -14.341  43.671  58.591
  375    H3*    C  35           H3*        C  35 -13.148  45.886  56.851
  376    H2*    C  35           H2*        C  35 -11.202  45.845  58.346
  377   2HO*    C  35          2HO*        C  35 -11.201  44.942  60.278
  378    H1*    C  35           H1*        C  35 -11.056  43.104  58.674
  379   1H4     C  35          1H4         C  35  -6.643  44.231  54.295
  380   2H4     C  35          2H4         C  35  -7.834  44.210  53.039
  381    H5     C  35           H5         C  35 -10.212  44.018  53.468
  382    H6     C  35           H6         C  35 -11.903  43.807  55.233
  383    H3T    C  35           H3T        C  35 -13.532  46.587  59.250
  384   1H5*    G  36          1H5*        G  36   3.295  43.302  58.436
  385   2H5*    G  36          2H5*        G  36   2.196  44.160  57.330
  386    H4*    G  36           H4*        G  36   1.850  43.736  60.268
  387    H3*    G  36           H3*        G  36   0.602  42.193  57.964
  388    H2*    G  36           H2*        G  36  -1.496  42.148  59.273
  389   2HO*    G  36          2HO*        G  36  -1.619  42.653  61.332
  390    H1*    G  36           H1*        G  36  -1.522  44.752  60.032
  391    H8     G  36           H8         G  36  -0.068  44.869  56.527
  392    H1     G  36           H1         G  36  -6.457  44.387  56.786
  393   1H2     G  36          1H2         G  36  -7.130  43.932  58.892
  394   2H2     G  36          2H2         G  36  -5.963  43.771  60.139
  395    H5T    G  36           H5T        G  36   3.896  45.502  58.113
  396   1H5*    A  37          1H5*        A  37  -0.814  40.204  61.378
  397   2H5*    A  37          2H5*        A  37  -0.474  38.509  61.032
  398    H4*    A  37           H4*        A  37  -2.712  38.815  61.694
  399    H3*    A  37           H3*        A  37  -2.382  37.901  58.795
  400    H2*    A  37           H2*        A  37  -4.840  37.862  58.663
  401   2HO*    A  37          2HO*        A  37  -6.119  37.863  60.346
  402    H1*    A  37           H1*        A  37  -5.306  40.196  60.045
  403    H8     A  37           H8         A  37  -2.397  41.036  57.801
  404   1H6     A  37          1H6         A  37  -6.555  42.015  53.349
  405   2H6     A  37          2H6         A  37  -4.897  42.183  53.814
  406    H2     A  37           H2         A  37  -8.641  40.071  56.816
  407   1H5*    C  38          1H5*        C  38  -5.321  35.387  60.223
  408   2H5*    C  38          2H5*        C  38  -4.922  33.783  59.607
  409    H4*    C  38           H4*        C  38  -7.143  34.536  59.080
  410    H3*    C  38           H3*        C  38  -5.303  33.849  56.738
  411    H2*    C  38           H2*        C  38  -7.097  34.432  55.233
  412   2HO*    C  38          2HO*        C  38  -9.152  34.408  55.746
  413    H1*    C  38           H1*        C  38  -8.248  36.490  56.768
  414   1H4     C  38          1H4         C  38  -5.435  39.406  51.893
  415   2H4     C  38          2H4         C  38  -3.999  39.600  52.839
  416    H5     C  38           H5         C  38  -3.711  38.611  55.034
  417    H6     C  38           H6         C  38  -4.792  37.224  56.746
  418   1H5*    G  39          1H5*        G  39  -9.082  31.883  55.962
  419   2H5*    G  39          2H5*        G  39  -8.590  30.285  55.400
  420    H4*    G  39           H4*        G  39 -10.176  31.420  53.975
  421    H3*    G  39           H3*        G  39  -7.509  30.580  52.736
  422    H2*    G  39           H2*        G  39  -8.370  31.485  50.607
  423   2HO*    G  39          2HO*        G  39 -10.391  31.850  50.214
  424    H1*    G  39           H1*        G  39  -9.487  33.774  51.624
  425    H8     G  39           H8         G  39  -6.245  33.545  53.524
  426    H1     G  39           H1         G  39  -5.610  35.642  47.499
  427   1H2     G  39          1H2         G  39  -7.522  35.319  46.345
  428   2H2     G  39          2H2         G  39  -8.871  34.599  47.124
  429   1H5*    G  40          1H5*        G  40  -8.157  27.402  49.051
  430   2H5*    G  40          2H5*        G  40  -6.913  28.603  49.397
  431    H4*    G  40           H4*        G  40  -9.332  28.916  47.684
  432    H3*    G  40           H3*        G  40  -6.447  28.445  46.865
  433    H2*    G  40           H2*        G  40  -6.800  30.069  45.036
  434   2HO*    G  40          2HO*        G  40  -8.694  30.729  44.392
  435    H1*    G  40           H1*        G  40  -8.050  32.004  46.462
  436    H8     G  40           H8         G  40  -5.769  31.109  49.191
  437    H1     G  40           H1         G  40  -2.724  33.873  44.273
  438   1H2     G  40          1H2         G  40  -4.046  33.907  42.443
  439   2H2     G  40          2H2         G  40  -5.625  33.244  42.527
  440   1H5*    C  41          1H5*        C  41  -7.938  28.186  43.220
  441   2H5*    C  41          2H5*        C  41  -7.406  26.638  42.564
  442    H4*    C  41           H4*        C  41  -6.799  28.403  41.138
  443    H3*    C  41           H3*        C  41  -4.419  26.992  42.437
  444    H2*    C  41           H2*        C  41  -2.982  28.514  41.116
  445   2HO*    C  41          2HO*        C  41  -3.761  29.799  39.542
  446    H1*    C  41           H1*        C  41  -4.401  30.808  41.567
  447   1H4     C  41          1H4         C  41  -0.016  31.034  46.106
  448   2H4     C  41          2H4         C  41  -1.003  30.071  47.153
  449    H5     C  41           H5         C  41  -3.104  29.082  46.458
  450    H6     C  41           H6         C  41  -4.662  28.839  44.579
  451   1H5*    U  42          1H5*        U  42  -3.165  26.659  38.304
  452   2H5*    U  42          2H5*        U  42  -2.820  24.932  38.236
  453    H4*    U  42           H4*        U  42  -1.000  26.156  37.425
  454    H3*    U  42           H3*        U  42  -0.415  24.734  40.069
  455    H2*    U  42           H2*        U  42   1.877  25.623  39.887
  456   2HO*    U  42          2HO*        U  42   2.715  26.382  38.105
  457    H1*    U  42           H1*        U  42   1.210  28.148  39.030
  458    H3     U  42           H3         U  42   2.764  28.891  43.165
  459    H5     U  42           H5         U  42  -1.163  27.551  43.766
  460    H6     U  42           H6         U  42  -1.284  27.058  41.414
  461   1H5*    U  43          1H5*        U  43   2.822  23.781  37.585
  462   2H5*    U  43          2H5*        U  43   3.267  22.119  37.969
  463    H4*    U  43           H4*        U  43   5.031  23.785  38.173
  464    H3*    U  43           H3*        U  43   4.387  22.012  40.579
  465    H2*    U  43           H2*        U  43   6.116  23.165  41.812
  466   2HO*    U  43          2HO*        U  43   7.722  24.256  40.906
  467    H1*    U  43           H1*        U  43   5.793  25.705  40.657
  468    H3     U  43           H3         U  43   5.193  26.249  45.103
  469    H5     U  43           H5         U  43   1.480  24.964  43.640
  470    H6     U  43           H6         U  43   2.540  24.527  41.525
  471   1H5*    G  44          1H5*        G  44   8.751  22.000  39.556
  472   2H5*    G  44          2H5*        G  44   9.230  20.327  39.850
  473    H4*    G  44           H4*        G  44  10.748  21.940  40.787
  474    H3*    G  44           H3*        G  44   9.427  19.982  42.703
  475    H2*    G  44           H2*        G  44  10.670  21.099  44.528
  476   2HO*    G  44          2HO*        G  44  12.277  22.450  44.212
  477    H1*    G  44           H1*        G  44  10.166  23.667  43.809
  478    H8     G  44           H8         G  44   7.005  21.685  42.964
  479    H1     G  44           H1         G  44   7.480  23.658  49.045
  480   1H2     G  44          1H2         G  44   9.538  24.491  49.447
  481   2H2     G  44          2H2         G  44  10.701  24.523  48.186
  482   1H5*    C  45          1H5*        C  45  13.322  19.931  44.064
  483   2H5*    C  45          2H5*        C  45  13.736  18.219  44.159
  484    H4*    C  45           H4*        C  45  14.203  19.244  46.197
  485    H3*    C  45           H3*        C  45  11.839  17.316  46.365
  486    H2*    C  45           H2*        C  45  11.748  17.864  48.779
  487   2HO*    C  45          2HO*        C  45  13.301  18.835  49.829
  488    H1*    C  45           H1*        C  45  12.048  20.567  48.533
  489   1H4     C  45          1H4         C  45   5.765  20.006  48.604
  490   2H4     C  45          2H4         C  45   5.736  19.619  46.917
  491    H5     C  45           H5         C  45   7.742  19.324  45.588
  492    H6     C  45           H6         C  45  10.195  19.349  45.658
  493   1H5*    U  46          1H5*        U  46  14.112  16.182  49.585
  494   2H5*    U  46          2H5*        U  46  14.061  14.420  49.658
  495    H4*    U  46           H4*        U  46  13.319  15.409  51.676
  496    H3*    U  46           H3*        U  46  11.194  13.814  50.168
  497    H2*    U  46           H2*        U  46   9.670  14.346  52.047
  498   2HO*    U  46          2HO*        U  46  10.312  15.095  53.916
  499    H1*    U  46           H1*        U  46  10.323  16.986  52.289
  500    H3     U  46           H3         U  46   6.272  17.308  50.456
  501    H5     U  46           H5         U  46   8.748  16.280  47.231
  502    H6     U  46           H6         U  46  10.550  15.987  48.797
  503   1H5*    G  47          1H5*        G  47  11.065  12.729  54.148
  504   2H5*    G  47          2H5*        G  47  10.911  10.975  54.249
  505    H4*    G  47           H4*        G  47   9.315  12.223  55.563
  506    H3*    G  47           H3*        G  47   8.290  10.244  53.502
  507    H2*    G  47           H2*        G  47   6.065  10.934  53.839
  508   2HO*    G  47          2HO*        G  47   5.277  11.555  55.713
  509    H1*    G  47           H1*        G  47   6.604  13.551  54.924
  510    H8     G  47           H8         G  47   7.725  13.698  51.391
  511    H1     G  47           H1         G  47   1.346  13.901  52.012
  512   1H2     G  47          1H2         G  47   0.738  13.309  54.103
  513   2H2     G  47          2H2         G  47   1.942  12.891  55.250
  514   1H5*    A  48          1H5*        A  48   7.701   8.869  57.428
  515   2H5*    A  48          2H5*        A  48   7.541   7.169  57.869
  516    H4*    A  48           H4*        A  48   5.469   8.407  57.878
  517    H3*    A  48           H3*        A  48   5.745   5.919  56.236
  518    H2*    A  48           H2*        A  48   3.968   6.396  54.839
  519   2HO*    A  48          2HO*        A  48   2.729   7.429  57.131
  520    H1*    A  48           H1*        A  48   3.442   9.130  55.854
  521    H8     A  48           H8         A  48   6.018   8.332  53.093
  522   1H6     A  48          1H6         A  48   1.712  10.442  49.211
  523   2H6     A  48          2H6         A  48   3.341   9.878  49.365
  524    H2     A  48           H2         A  48  -0.063  10.290  53.331
  525   1H5*    A  49          1H5*        A  49   3.641   2.452  57.917
  526   2H5*    A  49          2H5*        A  49   4.038   2.150  56.226
  527    H4*    A  49           H4*        A  49   2.142   4.087  57.436
  528    H3*    A  49           H3*        A  49   1.657   1.682  56.035
  529    H2*    A  49           H2*        A  49   1.841   2.539  53.817
  530   2HO*    A  49          2HO*        A  49  -0.508   3.867  54.564
  531    H1*    A  49           H1*        A  49   1.018   5.312  54.778
  532    H8     A  49           H8         A  49   4.428   4.424  53.240
  533   1H6     A  49          1H6         A  49   2.433   7.602  48.343
  534   2H6     A  49          2H6         A  49   3.778   6.783  49.060
  535    H2     A  49           H2         A  49  -0.958   7.244  51.261
  536   1H5*    G  50          1H5*        G  50  -3.422   1.218  55.318
  537   2H5*    G  50          2H5*        G  50  -2.295   1.986  54.200
  538    H4*    G  50           H4*        G  50  -4.561   3.359  55.580
  539    H3*    G  50           H3*        G  50  -4.679   1.909  52.935
  540    H2*    G  50           H2*        G  50  -5.838   3.841  51.980
  541   2HO*    G  50          2HO*        G  50  -7.205   4.335  53.551
  542    H1*    G  50           H1*        G  50  -4.304   5.850  52.942
  543    H8     G  50           H8         G  50  -1.340   3.900  52.494
  544    H1     G  50           H1         G  50  -4.234   4.969  46.873
  545   1H2     G  50          1H2         G  50  -6.360   5.651  47.198
  546   2H2     G  50          2H2         G  50  -6.965   5.812  48.795
  547   1H5*    C  51          1H5*        C  51  -8.764   1.969  53.380
  548   2H5*    C  51          2H5*        C  51  -9.350   0.327  53.116
  549    H4*    C  51           H4*        C  51 -10.217   1.907  51.550
  550    H3*    C  51           H3*        C  51  -8.545  -0.367  50.377
  551    H2*    C  51           H2*        C  51  -9.032   0.587  48.162
  552   2HO*    C  51          2HO*        C  51 -10.584   1.975  47.783
  553    H1*    C  51           H1*        C  51  -8.728   3.239  48.842
  554   1H4     C  51          1H4         C  51  -3.154   1.701  46.269
  555   2H4     C  51          2H4         C  51  -2.542   1.249  47.826
  556    H5     C  51           H5         C  51  -3.914   1.186  49.823
  557    H6     C  51           H6         C  51  -6.179   1.557  50.693
  558   1H5*    G  52          1H5*        G  52 -12.033  -0.226  47.874
  559   2H5*    G  52          2H5*        G  52 -12.488  -1.929  47.799
  560    H4*    G  52           H4*        G  52 -12.384  -1.036  45.643
  561    H3*    G  52           H3*        G  52 -10.185  -3.080  46.202
  562    H2*    G  52           H2*        G  52  -9.462  -2.733  43.859
  563   2HO*    G  52          2HO*        G  52 -10.634  -1.729  42.396
  564    H1*    G  52           H1*        G  52  -9.630  -0.008  43.843
  565    H8     G  52           H8         G  52  -8.284  -1.223  47.244
  566    H1     G  52           H1         G  52  -3.894  -0.233  42.678
  567   1H2     G  52          1H2         G  52  -4.894   0.183  40.697
  568   2H2     G  52          2H2         G  52  -6.606   0.196  40.599
  569   1H5*    C  53          1H5*        C  53 -11.980  -4.042  42.411
  570   2H5*    C  53          2H5*        C  53 -11.922  -5.802  42.309
  571    H4*    C  53           H4*        C  53 -10.926  -4.642  40.441
  572    H3*    C  53           H3*        C  53  -9.152  -6.575  42.012
  573    H2*    C  53           H2*        C  53  -7.367  -6.042  40.404
  574   2HO*    C  53          2HO*        C  53  -7.693  -5.153  38.522
  575    H1*    C  53           H1*        C  53  -7.831  -3.332  40.243
  576   1H4     C  53          1H4         C  53  -3.134  -3.548  44.445
  577   2H4     C  53          2H4         C  53  -4.212  -4.048  45.704
  578    H5     C  53           H5         C  53  -6.560  -4.525  45.331
  579    H6     C  53           H6         C  53  -8.324  -4.607  43.629
  580   1H5*    G  54          1H5*        G  54  -8.545  -7.726  37.952
  581   2H5*    G  54          2H5*        G  54  -8.380  -9.480  38.024
  582    H4*    G  54           H4*        G  54  -6.524  -8.389  36.983
  583    H3*    G  54           H3*        G  54  -5.906  -9.988  39.515
  584    H2*    G  54           H2*        G  54  -3.539  -9.383  39.153
  585   2HO*    G  54          2HO*        G  54  -2.770  -8.648  37.334
  586    H1*    G  54           H1*        G  54  -3.948  -6.755  38.483
  587    H8     G  54           H8         G  54  -6.307  -7.641  41.372
  588    H1     G  54           H1         G  54  -0.372  -5.920  43.082
  589   1H2     G  54          1H2         G  54   0.960  -5.768  41.266
  590   2H2     G  54          2H2         G  54   0.316  -6.099  39.712
  591   1H5*    C  55          1H5*        C  55  -3.003 -11.304  36.770
  592   2H5*    C  55          2H5*        C  55  -2.865 -13.040  37.045
  593    H4*    C  55           H4*        C  55  -0.778 -11.907  37.204
  594    H3*    C  55           H3*        C  55  -1.731 -13.291  39.760
  595    H2*    C  55           H2*        C  55   0.379 -12.555  40.792
  596   2HO*    C  55          2HO*        C  55   2.065 -11.876  39.695
  597    H1*    C  55           H1*        C  55   0.440 -10.023  39.711
  598   1H4     C  55          1H4         C  55  -2.009  -8.885  45.408
  599   2H4     C  55          2H4         C  55  -3.559  -9.486  44.921
  600    H5     C  55           H5         C  55  -3.978 -10.470  42.746
  601    H6     C  55           H6         C  55  -2.945 -11.066  40.602
  602   1H5*    A  56          1H5*        A  56   0.147 -17.219  41.160
  603   2H5*    A  56          2H5*        A  56  -0.380 -15.834  42.115
  604    H4*    A  56           H4*        A  56   2.409 -16.787  41.599
  605    H3*    A  56           H3*        A  56   0.693 -17.056  44.043
  606    H2*    A  56           H2*        A  56   2.519 -16.250  45.413
  607   2HO*    A  56          2HO*        A  56   4.551 -16.198  44.808
  608    H1*    A  56           H1*        A  56   3.424 -14.130  44.001
  609    H8     A  56           H8         A  56  -0.089 -13.627  43.097
  610   1H6     A  56          1H6         A  56  -0.976 -11.316  48.748
  611   2H6     A  56          2H6         A  56  -1.642 -11.501  47.162
  612    H2     A  56           H2         A  56   3.016 -13.367  48.679
  613   1H5*    C  57          1H5*        C  57   4.214 -18.676  45.269
  614   2H5*    C  57          2H5*        C  57   3.847 -20.322  45.785
  615    H4*    C  57           H4*        C  57   5.171 -19.042  47.366
  616    H3*    C  57           H3*        C  57   2.543 -20.241  48.296
  617    H2*    C  57           H2*        C  57   2.954 -19.198  50.497
  618   2HO*    C  57          2HO*        C  57   4.816 -18.435  51.115
  619    H1*    C  57           H1*        C  57   3.688 -16.736  49.639
  620   1H4     C  57          1H4         C  57  -2.625 -16.429  50.309
  621   2H4     C  57          2H4         C  57  -2.761 -16.378  48.584
  622    H5     C  57           H5         C  57  -0.878 -16.716  47.092
  623    H6     C  57           H6         C  57   1.530 -17.175  47.005
  624   1H5*    G  58          1H5*        G  58   5.197 -21.201  51.285
  625   2H5*    G  58          2H5*        G  58   5.039 -22.925  51.619
  626    H4*    G  58           H4*        G  58   4.935 -21.434  53.550
  627    H3*    G  58           H3*        G  58   2.647 -23.407  53.082
  628    H2*    G  58           H2*        G  58   1.649 -22.538  55.163
  629   2HO*    G  58          2HO*        G  58   2.707 -21.462  56.619
  630    H1*    G  58           H1*        G  58   2.169 -19.876  54.718
  631    H8     G  58           H8         G  58   1.037 -20.665  51.307
  632    H1     G  58           H1         G  58  -3.736 -20.896  55.582
  633   1H2     G  58          1H2         G  58  -2.913 -20.932  57.684
  634   2H2     G  58          2H2         G  58  -1.215 -20.895  57.930
  635   1H5*    G  59          1H5*        G  59   3.633 -24.709  56.968
  636   2H5*    G  59          2H5*        G  59   3.337 -26.447  56.921
  637    H4*    G  59           H4*        G  59   1.997 -25.152  58.506
  638    H3*    G  59           H3*        G  59   0.583 -26.960  56.487
  639    H2*    G  59           H2*        G  59  -1.534 -26.260  57.552
  640   2HO*    G  59          2HO*        G  59  -1.662 -25.366  59.445
  641    H1*    G  59           H1*        G  59  -0.942 -23.593  57.785
  642    H8     G  59           H8         G  59   0.425 -24.285  54.374
  643    H1     G  59           H1         G  59  -5.978 -24.024  54.571
  644   1H2     G  59          1H2         G  59  -6.705 -24.075  56.706
  645   2H2     G  59          2H2         G  59  -5.567 -24.170  57.987
  646   1H5*    C  60          1H5*        C  60  -1.233 -28.318  60.168
  647   2H5*    C  60          2H5*        C  60  -1.206 -30.067  59.943
  648    H4*    C  60           H4*        C  60  -3.375 -29.227  60.470
  649    H3*    C  60           H3*        C  60  -3.098 -30.602  57.754
  650    H2*    C  60           H2*        C  60  -5.525 -30.201  57.469
  651   2HO*    C  60          2HO*        C  60  -6.828 -29.692  59.040
  652    H1*    C  60           H1*        C  60  -5.559 -27.622  58.369
  653   1H4     C  60          1H4         C  60  -4.937 -26.875  52.127
  654   2H4     C  60          2H4         C  60  -3.213 -26.982  52.257
  655    H5     C  60           H5         C  60  -2.067 -27.501  54.329
  656    H6     C  60           H6         C  60  -2.394 -28.022  56.704
  657   1H5*    A  61          1H5*        A  61  -6.611 -32.340  59.670
  658   2H5*    A  61          2H5*        A  61  -6.508 -34.034  59.189
  659    H4*    A  61           H4*        A  61  -8.628 -32.991  58.717
  660    H3*    A  61           H3*        A  61  -7.088 -34.163  56.351
  661    H2*    A  61           H2*        A  61  -9.015 -33.478  54.950
  662   2HO*    A  61          2HO*        A  61 -10.904 -33.016  55.701
  663    H1*    A  61           H1*        A  61  -9.356 -30.990  56.024
  664    H8     A  61           H8         A  61  -5.598 -31.533  55.846
  665   1H6     A  61          1H6         A  61  -5.986 -29.446  50.053
  666   2H6     A  61          2H6         A  61  -4.918 -29.898  51.337
  667    H2     A  61           H2         A  61 -10.151 -30.055  51.609
  668   1H5*    A  62          1H5*        A  62 -11.104 -36.202  56.062
  669   2H5*    A  62          2H5*        A  62 -10.670 -37.582  55.053
  670    H4*    A  62           H4*        A  62 -12.370 -35.849  54.282
  671    H3*    A  62           H3*        A  62 -10.263 -37.101  52.454
  672    H2*    A  62           H2*        A  62 -11.194 -35.695  50.649
  673   2HO*    A  62          2HO*        A  62 -13.078 -34.788  50.716
  674    H1*    A  62           H1*        A  62 -11.468 -33.390  52.108
  675    H8     A  62           H8         A  62  -8.163 -34.565  53.361
  676   1H6     A  62          1H6         A  62  -5.696 -32.342  48.161
  677   2H6     A  62          2H6         A  62  -5.368 -32.966  49.741
  678    H2     A  62           H2         A  62 -10.160 -32.371  47.698
  679   1H5*    G  63          1H5*        G  63 -13.754 -37.962  50.027
  680   2H5*    G  63          2H5*        G  63 -13.323 -39.544  49.378
  681    H4*    G  63           H4*        G  63 -13.774 -37.802  47.735
  682    H3*    G  63           H3*        G  63 -11.099 -39.277  47.614
  683    H2*    G  63           H2*        G  63 -10.597 -37.909  45.616
  684   2HO*    G  63          2HO*        G  63 -12.050 -36.801  44.545
  685    H1*    G  63           H1*        G  63 -11.503 -35.519  46.594
  686    H8     G  63           H8         G  63  -9.814 -36.846  49.648
  687    H1     G  63           H1         G  63  -5.730 -34.822  45.140
  688   1H2     G  63          1H2         G  63  -6.810 -34.495  43.185
  689   2H2     G  63          2H2         G  63  -8.496 -34.790  43.088
  690   1H5*    A  64          1H5*        A  64 -11.951 -43.376  44.294
  691   2H5*    A  64          2H5*        A  64 -10.859 -42.222  45.057
  692    H4*    A  64           H4*        A  64 -12.915 -41.404  43.086
  693    H3*    A  64           H3*        A  64 -11.177 -43.126  42.011
  694    H2*    A  64           H2*        A  64  -9.097 -42.141  42.947
  695   2HO*    A  64          2HO*        A  64  -9.346 -40.688  40.582
  696    H1*    A  64           H1*        A  64 -10.050 -39.423  42.010
  697    H8     A  64           H8         A  64  -9.648 -40.042  45.737
  698   1H6     A  64          1H6         A  64  -4.190 -37.218  45.199
  699   2H6     A  64          2H6         A  64  -5.360 -37.860  46.299
  700    H2     A  64           H2         A  64  -5.826 -37.910  41.077
  701   1H5*    G  65          1H5*        G  65 -10.134 -40.910  38.633
  702   2H5*    G  65          2H5*        G  65 -10.782 -41.816  37.264
  703    H4*    G  65           H4*        G  65  -8.878 -43.085  37.028
  704    H3*    G  65           H3*        G  65  -8.439 -43.069  39.775
  705    H2*    G  65           H2*        G  65  -7.193 -41.010  39.918
  706   2HO*    G  65          2HO*        G  65  -5.046 -41.412  39.696
  707    H1*    G  65           H1*        G  65  -6.007 -41.547  37.160
  708    H8     G  65           H8         G  65  -8.206 -38.491  37.823
  709    H1     G  65           H1         G  65  -1.884 -37.428  37.810
  710   1H2     G  65          1H2         G  65  -0.754 -39.381  37.751
  711   2H2     G  65          2H2         G  65  -1.621 -40.861  37.716
  712   1H5*    G  66          1H5*        G  66  -6.749 -46.982  40.662
  713   2H5*    G  66          2H5*        G  66  -7.341 -46.134  42.091
  714    H4*    G  66           H4*        G  66  -5.646 -44.874  39.985
  715    H3*    G  66           H3*        G  66  -4.618 -46.770  41.872
  716    H2*    G  66           H2*        G  66  -4.278 -45.273  43.665
  717   2HO*    G  66          2HO*        G  66  -2.438 -44.201  43.535
  718    H1*    G  66           H1*        G  66  -4.222 -42.881  41.772
  719    H8     G  66           H8         G  66  -3.692 -41.042  43.475
  720    H1     G  66           H1         G  66  -8.243 -43.232  47.424
  721   1H2     G  66          1H2         G  66  -9.123 -45.151  46.627
  722   2H2     G  66          2H2         G  66  -8.541 -45.803  45.151
  723   1H5*    C  67          1H5*        C  67  -0.319 -47.389  39.601
  724   2H5*    C  67          2H5*        C  67  -1.363 -46.438  40.656
  725    H4*    C  67           H4*        C  67  -1.246 -45.643  37.847
  726    H3*    C  67           H3*        C  67   1.312 -45.545  39.451
  727    H2*    C  67           H2*        C  67   1.607 -43.219  38.739
  728   2HO*    C  67          2HO*        C  67   1.027 -43.426  36.653
  729    H1*    C  67           H1*        C  67  -0.896 -42.280  39.155
  730   1H4     C  67          1H4         C  67   1.847 -41.246  44.744
  731   2H4     C  67          2H4         C  67   1.266 -42.770  45.327
  732    H5     C  67           H5         C  67   0.125 -44.381  43.921
  733    H6     C  67           H6         C  67  -0.678 -44.816  41.644
  734   1H5*    G  68          1H5*        G  68   3.634 -44.800  36.226
  735   2H5*    G  68          2H5*        G  68   4.697 -46.205  36.163
  736    H4*    G  68           H4*        G  68   6.000 -44.288  36.411
  737    H3*    G  68           H3*        G  68   5.996 -46.062  38.875
  738    H2*    G  68           H2*        G  68   7.454 -44.390  39.963
  739   2HO*    G  68          2HO*        G  68   8.458 -42.840  38.928
  740    H1*    G  68           H1*        G  68   6.089 -42.158  39.260
  741    H8     G  68           H8         G  68   3.152 -44.388  39.754
  742    H1     G  68           H1         G  68   5.964 -42.623  45.239
  743   1H2     G  68          1H2         G  68   7.982 -41.699  44.829
  744   2H2     G  68          2H2         G  68   8.538 -41.559  43.213
  745   1H5*    U  69          1H5*        U  69   9.960 -44.910  38.489
  746   2H5*    U  69          2H5*        U  69  10.891 -46.404  38.604
  747    H4*    U  69           H4*        U  69  11.689 -44.723  40.078
  748    H3*    U  69           H3*        U  69  10.602 -47.239  41.432
  749    H2*    U  69           H2*        U  69  11.252 -46.194  43.577
  750   2HO*    U  69          2HO*        U  69  12.550 -44.526  43.736
  751    H1*    U  69           H1*        U  69  10.334 -43.672  43.029
  752    H3     U  69           H3         U  69   7.362 -45.038  46.067
  753    H5     U  69           H5         U  69   6.140 -46.942  42.537
  754    H6     U  69           H6         U  69   8.140 -46.120  41.481
  755   1H5*    C  70          1H5*        C  70  14.244 -46.877  43.522
  756   2H5*    C  70          2H5*        C  70  14.922 -48.492  43.322
  757    H4*    C  70           H4*        C  70  14.921 -47.906  45.573
  758    H3*    C  70           H3*        C  70  12.923 -50.129  44.930
  759    H2*    C  70           H2*        C  70  12.328 -50.174  47.278
  760   2HO*    C  70          2HO*        C  70  13.564 -49.415  48.849
  761    H1*    C  70           H1*        C  70  12.605 -47.436  47.799
  762   1H4     C  70          1H4         C  70   6.344 -48.257  47.723
  763   2H4     C  70          2H4         C  70   6.321 -48.214  45.993
  764    H5     C  70           H5         C  70   8.330 -48.099  44.641
  765    H6     C  70           H6         C  70  10.780 -48.002  44.726
  766    H3T    C  70           H3T        C  70  14.766 -50.854  46.512


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