NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
5544 1ho6 cing 1-original 6 MR format nomenclature mapping


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   7.074  -9.095   2.313
    2   2H5*    G   1          2H5*        G   1   6.888  -8.881   4.076
    3    H4*    G   1           H4*        G   1   8.720  -7.519   3.078
    4    H3*    G   1           H3*        G   1   6.291  -6.182   4.229
    5    H2*    G   1           H2*        G   1   6.957  -4.101   3.624
    6   2HO*    G   1          2HO*        G   1   8.912  -3.640   4.255
    7    H1*    G   1           H1*        G   1   8.443  -4.705   1.349
    8    H8     G   1           H8         G   1   4.980  -6.079   1.116
    9    H1     G   1           H1         G   1   5.186   0.235   0.282
   10   1H2     G   1          1H2         G   1   7.189   0.993   0.863
   11   2H2     G   1          2H2         G   1   8.451  -0.076   1.441
   12    H5T    G   1           H5T        G   1   4.880  -8.902   2.960
   13   1H5*    G   2          1H5*        G   2  10.102  -4.018   5.646
   14   2H5*    G   2          2H5*        G   2   9.795  -3.641   7.363
   15    H4*    G   2           H4*        G   2  10.654  -1.739   5.931
   16    H3*    G   2           H3*        G   2   7.949  -1.574   7.251
   17    H2*    G   2           H2*        G   2   7.574   0.518   6.406
   18   2HO*    G   2          2HO*        G   2   9.120   1.966   6.126
   19    H1*    G   2           H1*        G   2   8.941   0.256   3.996
   20    H8     G   2           H8         G   2   6.429  -2.471   4.733
   21    H1     G   2           H1         G   2   3.763   2.802   2.406
   22   1H2     G   2          1H2         G   2   5.234   4.448   2.375
   23   2H2     G   2          2H2         G   2   6.885   4.226   2.917
   24   1H5*    A   3          1H5*        A   3  10.371   2.144   7.836
   25   2H5*    A   3          2H5*        A   3  10.113   2.697   9.502
   26    H4*    A   3           H4*        A   3   9.830   4.536   7.878
   27    H3*    A   3           H3*        A   3   7.458   3.570   9.457
   28    H2*    A   3           H2*        A   3   6.063   5.128   8.455
   29   2HO*    A   3          2HO*        A   3   6.777   6.989   7.513
   30    H1*    A   3           H1*        A   3   7.103   5.099   5.938
   31    H8     A   3           H8         A   3   6.525   1.718   7.632
   32   1H6     A   3          1H6         A   3   0.931   1.872   5.038
   33   2H6     A   3          2H6         A   3   2.084   0.879   5.911
   34    H2     A   3           H2         A   3   2.920   5.872   4.413
   35   1H5*    C   4          1H5*        C   4   7.619   7.921   9.462
   36   2H5*    C   4          2H5*        C   4   7.018   8.576  11.000
   37    H4*    C   4           H4*        C   4   5.779   9.478   9.039
   38    H3*    C   4           H3*        C   4   4.435   7.825  11.144
   39    H2*    C   4           H2*        C   4   2.439   7.701  10.050
   40   2HO*    C   4          2HO*        C   4   1.771   9.644   9.523
   41    H1*    C   4           H1*        C   4   3.314   7.828   7.402
   42   1H4     C   4          1H4         C   4   1.482   1.828   8.192
   43   2H4     C   4          2H4         C   4   2.707   1.542   9.411
   44    H5     C   4           H5         C   4   4.185   3.276  10.221
   45    H6     C   4           H6         C   4   4.812   5.640  10.006
   46   1H5*    T   5          1H5*        T   5   1.617  11.192  10.343
   47   2H5*    T   5          2H5*        T   5   0.900  11.616  11.911
   48    H4*    T   5           H4*        T   5  -0.816  10.991  10.223
   49    H3*    T   5           H3*        T   5  -0.405   9.423  12.746
   50   1H2*    T   5          1H2*        T   5  -1.854   7.761  12.178
   51   2H2*    T   5          2H2*        T   5  -2.782   8.844  11.043
   52    H1*    T   5           H1*        T   5  -1.643   7.829   9.395
   53    H3     T   5           H3         T   5  -0.273   3.614   9.960
   54   1H5M    T   5          1H5M        T   5   3.422   6.417  12.355
   55   2H5M    T   5          2H5M        T   5   2.303   6.214  13.722
   56   3H5M    T   5          3H5M        T   5   3.041   4.786  12.957
   57    H6     T   5           H6         T   5   1.104   7.778  11.908
   58   1H5*    T   6          1H5*        T   6  -4.494  10.092  12.233
   59   2H5*    T   6          2H5*        T   6  -5.510  10.259  13.676
   60    H4*    T   6           H4*        T   6  -6.046   8.271  12.179
   61    H3*    T   6           H3*        T   6  -5.963   8.452  15.011
   62   1H2*    T   6          1H2*        T   6  -4.331   6.967  15.439
   63   2H2*    T   6          2H2*        T   6  -5.599   5.723  15.025
   64    H1*    T   6           H1*        T   6  -4.709   5.342  12.958
   65    H3     T   6           H3         T   6  -0.871   3.237  13.872
   66   1H5M    T   6          1H5M        T   6   1.139   7.032  15.580
   67   2H5M    T   6          2H5M        T   6   0.343   8.267  14.575
   68   3H5M    T   6          3H5M        T   6  -0.282   7.905  16.202
   69    H6     T   6           H6         T   6  -2.336   7.766  14.497
   70   1H5*    C   7          1H5*        C   7  -8.140   4.982  12.910
   71   2H5*    C   7          2H5*        C   7  -9.624   4.430  13.707
   72    H4*    C   7           H4*        C   7  -8.314   2.592  12.647
   73    H3*    C   7           H3*        C   7  -9.398   2.640  15.291
   74    H1*    C   7           H1*        C   7  -6.170   0.842  14.055
   75   1H4     C   7          1H4         C   7  -1.085   1.998  17.654
   76   2H4     C   7          2H4         C   7  -1.826   3.417  18.357
   77    H5     C   7           H5         C   7  -4.029   4.178  17.780
   78    H6     C   7           H6         C   7  -6.008   3.733  16.412
   79   1H2*    C   7          1H2*        C   7  -7.520   2.122  16.413
   80   2H2*    C   7          2H2*        C   7  -7.739   0.458  15.687
   81   1H5*    G   8          1H5*        G   8 -11.191   1.966  10.047
   82   2H5*    G   8          2H5*        G   8 -10.439   0.466  10.647
   83    H4*    G   8           H4*        G   8  -9.149   3.000   9.497
   84    H3*    G   8           H3*        G   8  -9.990   0.545   8.314
   85    H1*    G   8           H1*        G   8  -6.338   1.655   9.047
   86    H8     G   8           H8         G   8  -7.556  -1.103  11.499
   87    H1     G   8           H1         G   8  -1.362  -1.311  10.084
   88   1H2     G   8          1H2         G   8  -0.882   0.250   8.601
   89   2H2     G   8          2H2         G   8  -2.085   1.339   7.962
   90   1H2*    G   8          1H2*        G   8  -8.178  -0.708   8.840
   91   2H2*    G   8          2H2*        G   8  -7.358   0.270   7.529
   92   1H5*  GAO   9          1H5*       +G   9  -9.186   4.299   6.159
   93   2H5*  GAO   9          2H5*       +G   9  -9.770   4.412   4.474
   94    H4*  GAO   9           H4*       +G   9  -8.011   6.087   5.054
   95    H3*  GAO   9           H3*       +G   9  -7.683   4.037   2.961
   96    H2*  GAO   9           H2*       +G   9  -5.281   5.582   2.924
   97   2HO*  GAO   9          2HO*      HOH   9  -5.818   3.350   2.189
   98    H1*  GAO   9           H1*       +G   9  -5.125   6.002   5.141
   99    H8   GAO   9           H8        +G   9  -5.226   2.145   5.205
  100    H1   GAO   9           H1        +G   9   0.242   4.722   7.183
  101   1H2   GAO   9          1H2        +G   9   0.163   6.917   6.931
  102   2H2   GAO   9          2H2        +G   9  -1.247   7.731   6.288
  103   1H5*  UAR  10          1H5*       +U  10  -5.908   8.167   2.758
  104   2H5*  UAR  10          2H5*       +U  10  -5.768   8.867   1.132
  105    H4*  UAR  10           H4*       +U  10  -3.700   9.242   2.419
  106    H3*  UAR  10           H3*       +U  10  -3.752   7.567  -0.030
  107    H2*  UAR  10           H2*       +U  10  -1.014   7.859   0.815
  108   2HO*  UAR  10          2HO*      HOH  10  -2.144   6.279  -0.620
  109    H1*  UAR  10           H1*       +U  10  -1.392   7.757   3.052
  110    H3   UAR  10           H3        +U  10   0.863   4.048   4.246
  111    H5   UAR  10           H5        +U  10  -2.791   2.524   2.826
  112    H6   UAR  10           H6        +U  10  -3.410   4.779   2.192
  113   1H5*  CAR  11          1H5*       +C  11  -0.340  10.282   0.816
  114   2H5*  CAR  11          2H5*       +C  11   0.487  10.970  -0.598
  115    H4*  CAR  11           H4*       +C  11   2.114  10.025   0.998
  116    H3*  CAR  11           H3*       +C  11   1.777   8.979  -1.751
  117    H2*  CAR  11           H2*       +C  11   3.976   7.563  -0.576
  118   2HO*  CAR  11          2HO*       +C  11   2.429   7.095  -2.402
  119    H1*  CAR  11           H1*       +C  11   3.160   7.485   1.549
  120   1HN4  CAR  11          1H4        +C  11   1.565   1.335   1.893
  121   2HN4  CAR  11          2H4        +C  11   0.044   1.634   1.065
  122    H5   CAR  11           H5        +C  11  -0.584   3.801   0.203
  123    H6   CAR  11           H6        +C  11   0.105   6.138  -0.043
  124   1H5*  CAR  12          1H5*       +C  12   5.942   8.934   0.018
  125   2H5*  CAR  12          2H5*       +C  12   7.165   9.286  -1.222
  126    H4*  CAR  12           H4*       +C  12   7.839   7.309   0.034
  127    H3*  CAR  12           H3*       +C  12   7.066   7.101  -2.827
  128    H3T  CAR  12           H3T       +C  12   9.261   6.490  -2.935
  129    H2*  CAR  12           H2*       +C  12   8.088   4.550  -1.995
  130   2HO*  CAR  12          2HO*       +C  12   5.540   5.451  -2.937
  131    H1*  CAR  12           H1*       +C  12   7.263   4.618   0.134
  132   1HN4  CAR  12          1H4        +C  12   2.676   0.269  -0.553
  133   2HN4  CAR  12          2H4        +C  12   1.592   1.448  -1.267
  134    H5   CAR  12           H5        +C  12   2.216   3.748  -1.665
  135    H6   CAR  12           H6        +C  12   4.031   5.389  -1.511
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   3.098  -8.603   3.420
    2   2H5*    G   1          2H5*        G   1   2.952  -7.953   5.076
    3    H4*    G   1           H4*        G   1   5.116  -7.433   3.911
    4    H3*    G   1           H3*        G   1   3.212  -5.239   4.670
    5    H2*    G   1           H2*        G   1   4.467  -3.610   3.732
    6   2HO*    G   1          2HO*        G   1   6.411  -4.001   4.785
    7    H1*    G   1           H1*        G   1   5.696  -5.076   1.694
    8    H8     G   1           H8         G   1   2.015  -5.342   1.427
    9    H1     G   1           H1         G   1   4.119   0.496  -0.017
   10   1H2     G   1          1H2         G   1   6.246   0.686   0.585
   11   2H2     G   1          2H2         G   1   7.114  -0.641   1.331
   12    H5T    G   1           H5T        G   1   1.729  -6.210   4.099
   13   1H5*    G   2          1H5*        G   2   7.821  -4.653   5.851
   14   2H5*    G   2          2H5*        G   2   7.655  -4.151   7.558
   15    H4*    G   2           H4*        G   2   9.456  -2.944   6.307
   16    H3*    G   2           H3*        G   2   7.026  -1.522   7.338
   17    H2*    G   2           H2*        G   2   7.592   0.508   6.408
   18   2HO*    G   2          2HO*        G   2  10.065  -0.318   6.955
   19    H1*    G   2           H1*        G   2   8.674  -0.342   4.041
   20    H8     G   2           H8         G   2   5.682  -2.379   4.861
   21    H1     G   2           H1         G   2   4.065   3.265   2.473
   22   1H2     G   2          1H2         G   2   5.813   4.612   2.417
   23   2H2     G   2          2H2         G   2   7.397   4.104   2.964
   24   1H5*    A   3          1H5*        A   3   9.668   1.265   7.823
   25   2H5*    A   3          2H5*        A   3   9.637   1.972   9.451
   26    H4*    A   3           H4*        A   3   9.201   3.728   7.856
   27    H3*    A   3           H3*        A   3   6.840   2.737   9.436
   28    H2*    A   3           H2*        A   3   5.458   4.285   8.440
   29   2HO*    A   3          2HO*        A   3   7.666   5.792   8.553
   30    H1*    A   3           H1*        A   3   6.693   4.409   5.959
   31    H8     A   3           H8         A   3   5.711   0.944   7.162
   32   1H6     A   3          1H6         A   3   0.189   2.087   4.671
   33   2H6     A   3          2H6         A   3   1.220   0.860   5.385
   34    H2     A   3           H2         A   3   2.606   5.904   4.645
   35   1H5*    C   4          1H5*        C   4   7.005   6.991   9.684
   36   2H5*    C   4          2H5*        C   4   6.558   7.558  11.306
   37    H4*    C   4           H4*        C   4   5.189   8.678   9.626
   38    H3*    C   4           H3*        C   4   3.870   6.645  11.400
   39    H2*    C   4           H2*        C   4   1.829   6.959  10.429
   40   2HO*    C   4          2HO*        C   4   1.504   9.108  10.526
   41    H1*    C   4           H1*        C   4   2.705   7.602   7.829
   42   1H4     C   4          1H4         C   4   0.080   1.837   7.446
   43   2H4     C   4          2H4         C   4   1.314   1.149   8.481
   44    H5     C   4           H5         C   4   3.064   2.463   9.496
   45    H6     C   4           H6         C   4   3.973   4.722   9.768
   46   1H5*    T   5          1H5*        T   5   1.797   9.982  12.478
   47   2H5*    T   5          2H5*        T   5   1.119   9.971  14.120
   48    H4*    T   5           H4*        T   5  -0.633   9.643  12.406
   49    H3*    T   5           H3*        T   5   0.048   7.497  14.378
   50   1H2*    T   5          1H2*        T   5  -1.331   5.959  13.466
   51   2H2*    T   5          2H2*        T   5  -2.399   7.230  12.722
   52    H1*    T   5           H1*        T   5  -1.341   6.806  10.799
   53    H3     T   5           H3         T   5  -0.090   2.479  10.541
   54   1H5M    T   5          1H5M        T   5   4.129   4.815  12.378
   55   2H5M    T   5          2H5M        T   5   3.313   4.714  13.954
   56   3H5M    T   5          3H5M        T   5   3.725   3.226  13.069
   57    H6     T   5           H6         T   5   1.732   6.338  12.748
   58   1H5*    T   6          1H5*        T   6  -3.749   7.107  14.711
   59   2H5*    T   6          2H5*        T   6  -4.286   6.353  16.218
   60    H4*    T   6           H4*        T   6  -3.919   4.900  14.014
   61    H3*    T   6           H3*        T   6  -4.048   4.296  16.756
   62   1H2*    T   6          1H2*        T   6  -1.846   3.875  17.145
   63   2H2*    T   6          2H2*        T   6  -2.253   2.269  16.369
   64    H1*    T   6           H1*        T   6  -1.259   2.858  14.389
   65    H3     T   6           H3         T   6   3.027   2.730  15.781
   66   1H5M    T   6          1H5M        T   6   1.149   7.122  17.951
   67   2H5M    T   6          2H5M        T   6   2.839   7.059  17.395
   68   3H5M    T   6          3H5M        T   6   1.574   7.714  16.327
   69    H6     T   6           H6         T   6  -0.486   5.969  16.192
   70   1H5*    C   7          1H5*        C   7  -6.971   3.300  14.347
   71   2H5*    C   7          2H5*        C   7  -8.171   2.012  14.127
   72    H4*    C   7           H4*        C   7  -7.158   2.869  11.979
   73    H3*    C   7           H3*        C   7  -7.659   0.192  12.767
   74    H1*    C   7           H1*        C   7  -4.456   1.333  10.782
   75   1H4     C   7          1H4         C   7   0.886  -0.482  13.718
   76   2H4     C   7          2H4         C   7   0.007  -0.945  15.162
   77    H5     C   7           H5         C   7  -2.374  -0.665  15.399
   78    H6     C   7           H6         C   7  -4.424   0.087  14.300
   79   1H2*    C   7          1H2*        C   7  -5.559  -0.609  12.774
   80   2H2*    C   7          2H2*        C   7  -5.722  -0.562  10.956
   81   1H5*    G   8          1H5*        G   8  -8.424   0.115   6.943
   82   2H5*    G   8          2H5*        G   8  -7.449   1.000   8.152
   83    H4*    G   8           H4*        G   8 -10.067   1.839   6.798
   84    H3*    G   8           H3*        G   8  -7.437   2.031   5.876
   85    H1*    G   8           H1*        G   8  -9.228   4.987   7.663
   86    H8     G   8           H8         G   8  -9.405   5.837  10.241
   87    H1     G   8           H1         G   8  -3.292   4.323  11.127
   88   1H2     G   8          1H2         G   8  -2.576   3.066   9.461
   89   2H2     G   8          2H2         G   8  -3.610   2.598   8.129
   90   1H2*    G   8          1H2*        G   8  -6.637   3.485   7.441
   91   2H2*    G   8          2H2*        G   8  -7.390   4.706   6.313
   92   1H5*  GAO   9          1H5*       +G   9  -9.946   5.334   4.171
   93   2H5*  GAO   9          2H5*       +G   9 -10.182   5.839   2.481
   94    H4*  GAO   9           H4*       +G   9  -8.353   7.090   3.487
   95    H3*  GAO   9           H3*       +G   9  -7.826   5.132   1.355
   96    H2*  GAO   9           H2*       +G   9  -5.277   6.214   1.930
   97   2HO*  GAO   9          2HO*       +C   9  -6.337   3.615   2.506
   98    H1*  GAO   9           H1*       +G   9  -5.648   6.711   4.132
   99    H8   GAO   9           H8        +G   9  -6.038   2.873   4.228
  100    H1   GAO   9           H1        +G   9  -0.638   5.007   6.778
  101   1H2   GAO   9          1H2        +G   9  -0.496   7.195   6.535
  102   2H2   GAO   9          2H2        +G   9  -1.749   8.127   5.740
  103   1H5*  UAR  10          1H5*       +U  10  -5.597   9.165   1.756
  104   2H5*  UAR  10          2H5*       +U  10  -5.094   9.858   0.200
  105    H4*  UAR  10           H4*       +U  10  -3.320  10.060   1.945
  106    H3*  UAR  10           H3*       +U  10  -2.958   8.588  -0.605
  107    H2*  UAR  10           H2*       +U  10  -0.441   8.654   0.803
  108   2HO*  UAR  10          2HO*       +C  10  -1.180   7.297  -0.994
  109    H1*  UAR  10           H1*       +U  10  -1.255   8.333   2.888
  110    H3   UAR  10           H3        +U  10   0.466   4.335   4.035
  111    H5   UAR  10           H5        +U  10  -3.023   3.310   1.927
  112    H6   UAR  10           H6        +U  10  -3.314   5.658   1.407
  113   1H5*  CAR  11          1H5*       +C  11   0.628  10.863   1.007
  114   2H5*  CAR  11          2H5*       +C  11   1.591  11.545  -0.320
  115    H4*  CAR  11           H4*       +C  11   3.040  10.339   1.263
  116    H3*  CAR  11           H3*       +C  11   2.724   9.524  -1.555
  117    H2*  CAR  11           H2*       +C  11   4.635   7.716  -0.456
  118   2HO*  CAR  11          2HO*       +C  11   3.117   7.562  -2.313
  119    H1*  CAR  11           H1*       +C  11   3.792   7.666   1.667
  120   1HN4  CAR  11          1H4        +C  11   1.462   1.753   1.753
  121   2HN4  CAR  11          2H4        +C  11  -0.022   2.278   0.975
  122    H5   CAR  11           H5        +C  11  -0.369   4.534   0.188
  123    H6   CAR  11           H6        +C  11   0.606   6.774   0.030
  124   1H5*  CAR  12          1H5*       +C  12   6.869   8.809   0.301
  125   2H5*  CAR  12          2H5*       +C  12   8.125   8.999  -0.942
  126    H4*  CAR  12           H4*       +C  12   8.433   6.872   0.235
  127    H3*  CAR  12           H3*       +C  12   7.584   6.880  -2.631
  128    H3T  CAR  12           H3T       +C  12   9.745   7.340  -2.021
  129    H2*  CAR  12           H2*       +C  12   8.423   4.247  -1.707
  130   2HO*  CAR  12          2HO*       +C  12   6.586   3.703  -2.917
  131    H1*  CAR  12           H1*       +C  12   7.323   4.304   0.265
  132   1HN4  CAR  12          1H4        +C  12   1.923   1.145  -0.951
  133   2HN4  CAR  12          2H4        +C  12   1.229   2.551  -1.737
  134    H5   CAR  12           H5        +C  12   2.422   4.621  -2.041
  135    H6   CAR  12           H6        +C  12   4.541   5.791  -1.677
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   6.468  -9.131   2.392
    2   2H5*    G   1          2H5*        G   1   5.768  -8.980   4.028
    3    H4*    G   1           H4*        G   1   8.089  -8.051   3.754
    4    H3*    G   1           H3*        G   1   5.766  -6.271   4.454
    5    H2*    G   1           H2*        G   1   7.104  -4.383   4.534
    6   2HO*    G   1          2HO*        G   1   8.923  -6.079   5.410
    7    H1*    G   1           H1*        G   1   8.697  -4.914   2.385
    8    H8     G   1           H8         G   1   5.137  -5.876   1.632
    9    H1     G   1           H1         G   1   6.138   0.384   1.109
   10   1H2     G   1          1H2         G   1   8.111   0.913   1.940
   11   2H2     G   1          2H2         G   1   9.184  -0.291   2.624
   12    H5T    G   1           H5T        G   1   5.123  -7.575   1.654
   13   1H5*    G   2          1H5*        G   2   8.733  -5.049   6.787
   14   2H5*    G   2          2H5*        G   2   8.300  -4.629   8.466
   15    H4*    G   2           H4*        G   2   9.352  -2.780   7.134
   16    H3*    G   2           H3*        G   2   6.519  -2.532   8.113
   17    H2*    G   2           H2*        G   2   6.224  -0.523   7.122
   18   2HO*    G   2          2HO*        G   2   7.913   0.586   8.080
   19    H1*    G   2           H1*        G   2   8.123  -0.773   5.041
   20    H8     G   2           H8         G   2   5.338  -3.310   4.960
   21    H1     G   2           H1         G   2   3.634   2.396   2.728
   22   1H2     G   2          1H2         G   2   5.206   3.886   3.202
   23   2H2     G   2          2H2         G   2   6.665   3.443   4.064
   24   1H5*    A   3          1H5*        A   3   9.435   1.109   9.138
   25   2H5*    A   3          2H5*        A   3   8.923   1.542  10.782
   26    H4*    A   3           H4*        A   3   9.215   3.558   9.413
   27    H3*    A   3           H3*        A   3   6.454   2.769  10.292
   28    H2*    A   3           H2*        A   3   5.481   4.577   9.215
   29   2HO*    A   3          2HO*        A   3   6.533   6.418   8.723
   30    H1*    A   3           H1*        A   3   6.985   4.628   6.967
   31    H8     A   3           H8         A   3   5.934   1.187   8.195
   32   1H6     A   3          1H6         A   3   0.847   1.960   4.794
   33   2H6     A   3          2H6         A   3   1.780   0.820   5.748
   34    H2     A   3           H2         A   3   3.146   5.840   4.859
   35   1H5*    C   4          1H5*        C   4   6.925   6.864  10.856
   36   2H5*    C   4          2H5*        C   4   6.115   7.505  12.301
   37    H4*    C   4           H4*        C   4   5.325   8.621  10.239
   38    H3*    C   4           H3*        C   4   3.489   6.935  11.900
   39    H2*    C   4           H2*        C   4   1.726   7.101  10.462
   40   2HO*    C   4          2HO*        C   4   2.733   9.590  10.121
   41    H1*    C   4           H1*        C   4   3.109   7.329   8.050
   42   1H4     C   4          1H4         C   4   0.555   1.550   7.998
   43   2H4     C   4          2H4         C   4   1.578   1.012   9.314
   44    H5     C   4           H5         C   4   3.121   2.489  10.474
   45    H6     C   4           H6         C   4   4.000   4.773  10.583
   46   1H5*    T   5          1H5*        T   5   0.777   9.298  11.012
   47   2H5*    T   5          2H5*        T   5  -0.162   9.818  12.426
   48    H4*    T   5           H4*        T   5  -1.577   8.506  10.940
   49    H3*    T   5           H3*        T   5  -0.775   7.339  13.585
   50   1H2*    T   5          1H2*        T   5  -1.834   5.355  13.200
   51   2H2*    T   5          2H2*        T   5  -2.942   6.095  11.964
   52    H1*    T   5           H1*        T   5  -1.565   5.202  10.433
   53    H3     T   5           H3         T   5   0.513   1.457  11.803
   54   1H5M    T   5          1H5M        T   5   3.769   3.818  14.067
   55   2H5M    T   5          2H5M        T   5   3.795   5.302  13.086
   56   3H5M    T   5          3H5M        T   5   2.846   5.247  14.590
   57    H6     T   5           H6         T   5   1.206   6.130  12.664
   58   1H5*    T   6          1H5*        T   6  -4.854   7.194  12.991
   59   2H5*    T   6          2H5*        T   6  -6.013   7.103  14.329
   60    H4*    T   6           H4*        T   6  -5.910   5.061  12.807
   61    H3*    T   6           H3*        T   6  -6.251   5.225  15.597
   62   1H2*    T   6          1H2*        T   6  -4.269   4.325  16.254
   63   2H2*    T   6          2H2*        T   6  -5.112   2.758  15.849
   64    H1*    T   6           H1*        T   6  -3.994   2.537  13.865
   65    H3     T   6           H3         T   6   0.161   1.479  15.132
   66   1H5M    T   6          1H5M        T   6   1.109   5.742  16.628
   67   2H5M    T   6          2H5M        T   6  -0.015   6.702  15.636
   68   3H5M    T   6          3H5M        T   6  -0.488   6.190  17.273
   69    H6     T   6           H6         T   6  -2.401   5.527  15.430
   70   1H5*    C   7          1H5*        C   7  -8.792   3.161  13.006
   71   2H5*    C   7          2H5*        C   7 -10.141   2.017  13.115
   72    H4*    C   7           H4*        C   7  -8.512   1.588  11.221
   73    H3*    C   7           H3*        C   7  -9.716  -0.272  13.031
   74    H1*    C   7           H1*        C   7  -6.125  -0.507  11.532
   75   1H4     C   7          1H4         C   7  -1.702  -1.726  15.907
   76   2H4     C   7          2H4         C   7  -2.631  -0.937  17.161
   77    H5     C   7           H5         C   7  -4.792   0.037  16.779
   78    H6     C   7           H6         C   7  -6.534   0.478  15.110
   79   1H2*    C   7          1H2*        C   7  -7.842  -1.166  13.899
   80   2H2*    C   7          2H2*        C   7  -7.699  -1.994  12.276
   81   1H5*    G   8          1H5*        G   8 -10.198   0.492   7.482
   82   2H5*    G   8          2H5*        G   8  -8.522   0.305   8.071
   83    H4*    G   8           H4*        G   8  -9.944   2.930   7.372
   84    H3*    G   8           H3*        G   8  -8.956   0.946   5.601
   85    H1*    G   8           H1*        G   8  -7.011   4.208   6.562
   86    H8     G   8           H8         G   8  -5.059   4.731   8.360
   87    H1     G   8           H1         G   8  -2.536  -1.026   7.370
   88   1H2     G   8          1H2         G   8  -3.932  -2.276   6.196
   89   2H2     G   8          2H2         G   8  -5.487  -1.684   5.663
   90   1H2*    G   8          1H2*        G   8  -6.744   1.315   5.835
   91   2H2*    G   8          2H2*        G   8  -7.067   2.770   4.781
   92   1H5*  GAO   9          1H5*       +G   9  -9.097   5.380   3.967
   93   2H5*  GAO   9          2H5*       +G   9  -9.236   5.494   2.188
   94    H4*  GAO   9           H4*       +G   9  -7.494   6.989   3.220
   95    H3*  GAO   9           H3*       +G   9  -6.880   4.861   1.240
   96    H2*  GAO   9           H2*       +G   9  -4.521   6.450   1.761
   97   2HO*  GAO   9          2HO*       +C   9  -4.814   4.327   0.694
   98    H1*  GAO   9           H1*       +G   9  -4.739   6.613   3.989
   99    H8   GAO   9           H8        +G   9  -5.111   2.793   3.529
  100    H1   GAO   9           H1        +G   9  -0.132   4.638   7.019
  101   1H2   GAO   9          1H2        +G   9  -0.057   6.844   7.100
  102   2H2   GAO   9          2H2        +G   9  -1.251   7.845   6.300
  103   1H5*  UAR  10          1H5*       +U  10  -5.134   8.814   1.378
  104   2H5*  UAR  10          2H5*       +U  10  -4.542   9.637  -0.081
  105    H4*  UAR  10           H4*       +U  10  -2.897   9.809   1.751
  106    H3*  UAR  10           H3*       +U  10  -2.322   8.416  -0.792
  107    H2*  UAR  10           H2*       +U  10   0.103   8.363   0.725
  108   2HO*  UAR  10          2HO*       +C  10  -0.934   6.978  -1.059
  109    H1*  UAR  10           H1*       +U  10  -0.853   8.185   2.790
  110    H3   UAR  10           H3        +U  10   1.037   4.315   4.146
  111    H5   UAR  10           H5        +U  10  -2.281   3.032   1.902
  112    H6   UAR  10           H6        +U  10  -2.700   5.346   1.318
  113   1H5*  CAR  11          1H5*       +C  11   1.030  10.665   1.175
  114   2H5*  CAR  11          2H5*       +C  11   2.174  11.376   0.017
  115    H4*  CAR  11           H4*       +C  11   3.378  10.103   1.743
  116    H3*  CAR  11           H3*       +C  11   3.406   9.293  -1.114
  117    H2*  CAR  11           H2*       +C  11   5.236   7.597   0.319
  118   2HO*  CAR  11          2HO*       +C  11   2.876   7.207  -1.239
  119    H1*  CAR  11           H1*       +C  11   4.019   7.436   2.237
  120   1HN4  CAR  11          1H4        +C  11   1.831   1.483   1.658
  121   2HN4  CAR  11          2H4        +C  11   0.540   2.011   0.589
  122    H5   CAR  11           H5        +C  11   0.285   4.301  -0.147
  123    H6   CAR  11           H6        +C  11   1.212   6.565  -0.017
  124   1H5*  CAR  12          1H5*       +C  12   7.421   9.022   1.185
  125   2H5*  CAR  12          2H5*       +C  12   8.767   9.337   0.070
  126    H4*  CAR  12           H4*       +C  12   9.231   7.325   1.382
  127    H3*  CAR  12           H3*       +C  12   8.811   7.193  -1.552
  128    H3T  CAR  12           H3T       +C  12  10.872   6.389   0.263
  129    H2*  CAR  12           H2*       +C  12   9.618   4.586  -0.662
  130   2HO*  CAR  12          2HO*       +C  12   8.537   5.158  -2.638
  131    H1*  CAR  12           H1*       +C  12   8.532   4.630   1.346
  132   1HN4  CAR  12          1H4        +C  12   3.755   0.637   0.032
  133   2HN4  CAR  12          2H4        +C  12   2.854   1.911  -0.766
  134    H5   CAR  12           H5        +C  12   3.699   4.147  -1.060
  135    H6   CAR  12           H6        +C  12   5.595   5.643  -0.657
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   5.091  -8.449   1.447
    2   2H5*    G   1          2H5*        G   1   5.448  -8.151   3.171
    3    H4*    G   1           H4*        G   1   7.213  -7.321   1.638
    4    H3*    G   1           H3*        G   1   5.546  -5.369   3.185
    5    H2*    G   1           H2*        G   1   6.489  -3.545   2.245
    6   2HO*    G   1          2HO*        G   1   8.651  -4.049   2.696
    7    H1*    G   1           H1*        G   1   7.127  -4.567  -0.263
    8    H8     G   1           H8         G   1   3.556  -5.173   0.355
    9    H1     G   1           H1         G   1   4.782   1.026  -0.427
   10   1H2     G   1          1H2         G   1   6.971   1.364  -0.303
   11   2H2     G   1          2H2         G   1   8.096   0.046  -0.037
   12    H5T    G   1           H5T        G   1   4.049  -6.290   2.968
   13   1H5*    G   2          1H5*        G   2  10.487  -4.062   3.479
   14   2H5*    G   2          2H5*        G   2  10.342  -4.284   5.246
   15    H4*    G   2           H4*        G   2  11.614  -2.261   4.705
   16    H3*    G   2           H3*        G   2   8.819  -1.933   5.758
   17    H2*    G   2           H2*        G   2   8.917   0.373   5.675
   18   2HO*    G   2          2HO*        G   2  11.473  -0.018   6.229
   19    H1*    G   2           H1*        G   2  10.199   0.637   3.281
   20    H8     G   2           H8         G   2   7.779  -2.239   3.273
   21    H1     G   2           H1         G   2   4.884   3.343   2.407
   22   1H2     G   2          1H2         G   2   6.282   5.006   2.761
   23   2H2     G   2          2H2         G   2   7.955   4.734   3.212
   24   1H5*    A   3          1H5*        A   3  10.768   0.905   7.675
   25   2H5*    A   3          2H5*        A   3  10.350   1.015   9.395
   26    H4*    A   3           H4*        A   3   9.872   3.133   8.268
   27    H3*    A   3           H3*        A   3   7.516   1.477   9.158
   28    H2*    A   3           H2*        A   3   6.057   3.118   8.457
   29   2HO*    A   3          2HO*        A   3   6.563   5.235   8.331
   30    H1*    A   3           H1*        A   3   7.479   4.018   6.265
   31    H8     A   3           H8         A   3   6.949   0.277   6.391
   32   1H6     A   3          1H6         A   3   1.327   1.357   4.112
   33   2H6     A   3          2H6         A   3   2.507   0.121   4.511
   34    H2     A   3           H2         A   3   3.232   5.305   5.192
   35   1H5*    C   4          1H5*        C   4   7.498   5.626  10.421
   36   2H5*    C   4          2H5*        C   4   6.904   5.841  12.081
   37    H4*    C   4           H4*        C   4   5.887   7.457  10.493
   38    H3*    C   4           H3*        C   4   4.228   5.407  11.925
   39    H2*    C   4           H2*        C   4   2.288   6.008  10.863
   40   2HO*    C   4          2HO*        C   4   3.357   8.446  11.083
   41    H1*    C   4           H1*        C   4   3.336   6.798   8.407
   42   1H4     C   4          1H4         C   4   0.406   1.277   7.381
   43   2H4     C   4          2H4         C   4   1.693   0.392   8.183
   44    H5     C   4           H5         C   4   3.543   1.476   9.298
   45    H6     C   4           H6         C   4   4.561   3.649   9.852
   46   1H5*    T   5          1H5*        T   5   1.741   8.360  12.009
   47   2H5*    T   5          2H5*        T   5   0.902   8.523  13.567
   48    H4*    T   5           H4*        T   5  -0.690   7.929  11.796
   49    H3*    T   5           H3*        T   5  -0.042   5.996  13.986
   50   1H2*    T   5          1H2*        T   5  -1.232   4.298  13.114
   51   2H2*    T   5          2H2*        T   5  -2.356   5.423  12.225
   52    H1*    T   5           H1*        T   5  -1.173   5.011  10.383
   53    H3     T   5           H3         T   5   0.234   0.773  10.196
   54   1H5M    T   5          1H5M        T   5   3.839   1.581  12.990
   55   2H5M    T   5          2H5M        T   5   4.149   3.285  12.579
   56   3H5M    T   5          3H5M        T   5   3.179   2.878  14.015
   57    H6     T   5           H6         T   5   1.752   4.639  12.610
   58   1H5*    T   6          1H5*        T   6  -3.730   5.506  14.175
   59   2H5*    T   6          2H5*        T   6  -4.419   5.021  15.729
   60    H4*    T   6           H4*        T   6  -3.886   3.220  13.874
   61    H3*    T   6           H3*        T   6  -4.189   3.109  16.666
   62   1H2*    T   6          1H2*        T   6  -2.017   2.793  17.253
   63   2H2*    T   6          2H2*        T   6  -2.373   1.068  16.756
   64    H1*    T   6           H1*        T   6  -1.270   1.305  14.760
   65    H3     T   6           H3         T   6   2.903   1.420  16.455
   66   1H5M    T   6          1H5M        T   6   2.715   5.999  17.080
   67   2H5M    T   6          2H5M        T   6   1.478   6.421  15.872
   68   3H5M    T   6          3H5M        T   6   1.012   6.170  17.571
   69    H6     T   6           H6         T   6  -0.560   4.697  15.962
   70   1H5*    C   7          1H5*        C   7  -8.381   1.526  16.567
   71   2H5*    C   7          2H5*        C   7  -8.283   0.993  14.877
   72    H4*    C   7           H4*        C   7 -10.132   2.586  15.217
   73    H3*    C   7           H3*        C   7  -8.087   2.810  13.250
   74    H1*    C   7           H1*        C   7  -9.808   5.783  15.113
   75   1H4     C   7          1H4         C   7  -5.313   8.916  18.619
   76   2H4     C   7          2H4         C   7  -4.606   9.300  17.065
   77    H5     C   7           H5         C   7  -5.395   8.380  15.001
   78    H6     C   7           H6         C   7  -6.964   6.817  13.968
   79   1H2*    C   7          1H2*        C   7  -7.279   4.826  13.813
   80   2H2*    C   7          2H2*        C   7  -8.821   5.458  13.067
   81   1H5*    G   8          1H5*        G   8 -10.418   1.675   9.028
   82   2H5*    G   8          2H5*        G   8  -8.901   0.976   9.665
   83    H4*    G   8           H4*        G   8  -9.270   3.509   7.981
   84    H3*    G   8           H3*        G   8  -9.229   0.826   7.150
   85    H1*    G   8           H1*        G   8  -6.092   3.144   7.034
   86    H8     G   8           H8         G   8  -5.199   3.175  10.191
   87    H1     G   8           H1         G   8  -1.880  -1.676   7.747
   88   1H2     G   8          1H2         G   8  -2.833  -2.368   5.875
   89   2H2     G   8          2H2         G   8  -4.279  -1.628   5.233
   90   1H2*    G   8          1H2*        G   8  -7.040   0.355   7.582
   91   2H2*    G   8          2H2*        G   8  -6.786   1.228   5.994
   92   1H5*  GAO   9          1H5*       +G   9  -9.616   4.293   4.651
   93   2H5*  GAO   9          2H5*       +G   9  -9.727   4.689   2.914
   94    H4*  GAO   9           H4*       +G   9  -8.077   6.061   4.241
   95    H3*  GAO   9           H3*       +G   9  -7.354   4.383   1.903
   96    H2*  GAO   9           H2*       +G   9  -5.029   5.859   2.725
   97   2HO*  GAO   9          2HO*       +C   9  -5.378   3.858   1.385
   98    H1*  GAO   9           H1*       +G   9  -5.324   5.716   4.953
   99    H8   GAO   9           H8        +G   9  -5.554   1.974   4.077
  100    H1   GAO   9           H1        +G   9  -0.317   3.641   7.275
  101   1H2   GAO   9          1H2        +G   9  -0.295   5.835   7.589
  102   2H2   GAO   9          2H2        +G   9  -1.594   6.864   7.015
  103   1H5*  UAR  10          1H5*       +U  10  -5.533   8.299   3.038
  104   2H5*  UAR  10          2H5*       +U  10  -5.109   9.362   1.679
  105    H4*  UAR  10           H4*       +U  10  -3.352   9.405   3.419
  106    H3*  UAR  10           H3*       +U  10  -2.861   8.423   0.667
  107    H2*  UAR  10           H2*       +U  10  -0.345   8.441   2.062
  108   2HO*  UAR  10          2HO*       +C  10  -1.966   6.515   0.725
  109    H1*  UAR  10           H1*       +U  10  -1.127   7.773   4.093
  110    H3   UAR  10           H3        +U  10   1.161   3.842   4.377
  111    H5   UAR  10           H5        +U  10  -2.459   2.782   2.514
  112    H6   UAR  10           H6        +U  10  -3.028   5.131   2.423
  113   1H5*  CAR  11          1H5*       +C  11   0.537  10.820   2.482
  114   2H5*  CAR  11          2H5*       +C  11   1.358  11.793   1.244
  115    H4*  CAR  11           H4*       +C  11   3.005  10.524   2.543
  116    H3*  CAR  11           H3*       +C  11   2.589  10.076  -0.345
  117    H2*  CAR  11           H2*       +C  11   4.709   8.317   0.365
  118   2HO*  CAR  11          2HO*       +C  11   2.017   7.936  -0.510
  119    H1*  CAR  11           H1*       +C  11   4.044   7.950   2.529
  120   1HN4  CAR  11          1H4        +C  11   2.537   1.809   1.859
  121   2HN4  CAR  11          2H4        +C  11   0.920   2.218   1.313
  122    H5   CAR  11           H5        +C  11   0.186   4.495   0.953
  123    H6   CAR  11           H6        +C  11   0.837   6.854   1.074
  124   1H5*  CAR  12          1H5*       +C  12   6.891   9.368   0.990
  125   2H5*  CAR  12          2H5*       +C  12   7.994   9.849  -0.317
  126    H4*  CAR  12           H4*       +C  12   8.489   7.559   0.389
  127    H3*  CAR  12           H3*       +C  12   7.338   8.061  -2.324
  128    H3T  CAR  12           H3T       +C  12   9.552   8.481  -1.782
  129    H2*  CAR  12           H2*       +C  12   8.337   5.345  -2.032
  130   2HO*  CAR  12          2HO*       +C  12   7.016   6.107  -3.747
  131    H1*  CAR  12           H1*       +C  12   7.526   5.002   0.050
  132   1HN4  CAR  12          1H4        +C  12   2.275   1.591  -1.018
  133   2HN4  CAR  12          2H4        +C  12   1.369   3.022  -1.481
  134    H5   CAR  12           H5        +C  12   2.356   5.226  -1.597
  135    H6   CAR  12           H6        +C  12   4.410   6.527  -1.287
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   8.797  -8.099   0.664
    2   2H5*    G   1          2H5*        G   1   8.879  -8.040   2.446
    3    H4*    G   1           H4*        G   1  10.527  -6.556   1.312
    4    H3*    G   1           H3*        G   1   8.269  -5.338   2.883
    5    H2*    G   1           H2*        G   1   8.933  -3.210   2.406
    6   2HO*    G   1          2HO*        G   1  11.240  -3.904   2.936
    7    H1*    G   1           H1*        G   1   9.954  -3.607  -0.129
    8    H8     G   1           H8         G   1   6.555  -5.062  -0.011
    9    H1     G   1           H1         G   1   6.412   1.303   0.042
   10   1H2     G   1          1H2         G   1   8.447   2.087   0.445
   11   2H2     G   1          2H2         G   1   9.818   1.022   0.690
   12    H5T    G   1           H5T        G   1   7.044  -6.466   0.966
   13   1H5*    G   2          1H5*        G   2  12.031  -3.033   4.237
   14   2H5*    G   2          2H5*        G   2  11.851  -3.128   6.010
   15    H4*    G   2           H4*        G   2  12.359  -0.841   5.114
   16    H3*    G   2           H3*        G   2   9.737  -1.384   6.488
   17    H2*    G   2           H2*        G   2   8.972   0.726   6.131
   18   2HO*    G   2          2HO*        G   2  10.228   2.481   6.171
   19    H1*    G   2           H1*        G   2  10.357   1.328   3.768
   20    H8     G   2           H8         G   2   8.228  -1.788   3.673
   21    H1     G   2           H1         G   2   4.883   3.535   2.773
   22   1H2     G   2          1H2         G   2   6.144   5.301   3.203
   23   2H2     G   2          2H2         G   2   7.818   5.147   3.703
   24   1H5*    A   3          1H5*        A   3  11.516   2.422   8.174
   25   2H5*    A   3          2H5*        A   3  11.090   2.471   9.896
   26    H4*    A   3           H4*        A   3  10.438   4.541   8.655
   27    H3*    A   3           H3*        A   3   8.317   2.810   9.925
   28    H2*    A   3           H2*        A   3   6.651   4.251   9.227
   29   2HO*    A   3          2HO*        A   3   8.381   6.087   9.834
   30    H1*    A   3           H1*        A   3   7.773   5.081   6.838
   31    H8     A   3           H8         A   3   7.575   1.325   7.434
   32   1H6     A   3          1H6         A   3   1.863   1.661   5.161
   33   2H6     A   3          2H6         A   3   3.151   0.582   5.673
   34    H2     A   3           H2         A   3   3.445   5.857   5.712
   35   1H5*    C   4          1H5*        C   4   7.926   7.197  11.005
   36   2H5*    C   4          2H5*        C   4   7.216   7.343  12.624
   37    H4*    C   4           H4*        C   4   6.044   8.677  10.820
   38    H3*    C   4           H3*        C   4   4.664   6.603  12.497
   39    H2*    C   4           H2*        C   4   2.686   6.796  11.376
   40   2HO*    C   4          2HO*        C   4   1.919   8.661  10.696
   41    H1*    C   4           H1*        C   4   3.649   7.538   8.853
   42   1H4     C   4          1H4         C   4   1.203   1.713   8.385
   43   2H4     C   4          2H4         C   4   2.537   1.027   9.294
   44    H5     C   4           H5         C   4   4.309   2.368  10.257
   45    H6     C   4           H6         C   4   5.130   4.659  10.586
   46   1H5*    T   5          1H5*        T   5   1.890   9.713  12.293
   47   2H5*    T   5          2H5*        T   5   1.019   9.892  13.831
   48    H4*    T   5           H4*        T   5  -0.501   9.309  11.945
   49    H3*    T   5           H3*        T   5  -0.124   7.503  14.311
   50   1H2*    T   5          1H2*        T   5  -1.299   5.787  13.436
   51   2H2*    T   5          2H2*        T   5  -2.320   6.887  12.413
   52    H1*    T   5           H1*        T   5  -1.032   6.321  10.686
   53    H3     T   5           H3         T   5   0.349   2.086  10.708
   54   1H5M    T   5          1H5M        T   5   4.023   4.624  13.425
   55   2H5M    T   5          2H5M        T   5   2.932   4.183  14.760
   56   3H5M    T   5          3H5M        T   5   3.698   2.910  13.781
   57    H6     T   5           H6         T   5   1.669   5.970  13.197
   58   1H5*    T   6          1H5*        T   6  -4.033   8.589  12.445
   59   2H5*    T   6          2H5*        T   6  -5.514   8.403  13.403
   60    H4*    T   6           H4*        T   6  -5.556   7.336  11.093
   61    H3*    T   6           H3*        T   6  -6.524   6.315  13.591
   62   1H2*    T   6          1H2*        T   6  -5.370   4.384  13.635
   63   2H2*    T   6          2H2*        T   6  -6.519   3.866  12.312
   64    H1*    T   6           H1*        T   6  -4.972   4.264  10.663
   65    H3     T   6           H3         T   6  -2.229   0.790  11.213
   66   1H5M    T   6          1H5M        T   6  -1.710   3.429  15.717
   67   2H5M    T   6          2H5M        T   6  -0.334   2.512  15.059
   68   3H5M    T   6          3H5M        T   6  -0.487   4.252  14.720
   69    H6     T   6           H6         T   6  -2.999   4.771  13.784
   70   1H5*    C   7          1H5*        C   7  -8.172   3.115  11.062
   71   2H5*    C   7          2H5*        C   7  -9.788   3.763  10.735
   72    H4*    C   7           H4*        C   7  -9.782   1.295  11.056
   73    H3*    C   7           H3*        C   7 -11.515   3.184  12.259
   74    H1*    C   7           H1*        C   7 -10.132  -0.023  14.046
   75   1H4     C   7          1H4         C   7  -7.709   1.540  19.704
   76   2H4     C   7          2H4         C   7  -6.851   2.890  19.002
   77    H5     C   7           H5         C   7  -7.062   3.529  16.697
   78    H6     C   7           H6         C   7  -8.145   3.010  14.565
   79   1H2*    C   7          1H2*        C   7 -11.012   2.813  14.426
   80   2H2*    C   7          2H2*        C   7 -11.999   1.291  14.195
   81   1H5*    G   8          1H5*        G   8 -11.401   1.085   7.493
   82   2H5*    G   8          2H5*        G   8 -11.151  -0.099   8.809
   83    H4*    G   8           H4*        G   8  -9.217   2.039   7.770
   84    H3*    G   8           H3*        G   8  -9.804  -0.526   6.747
   85    H1*    G   8           H1*        G   8  -6.732   0.229   9.072
   86    H8     G   8           H8         G   8  -5.623  -1.432  10.740
   87    H1     G   8           H1         G   8 -11.177  -2.848  13.512
   88   1H2     G   8          1H2         G   8 -12.839  -1.925  12.379
   89   2H2     G   8          2H2         G   8 -12.576  -0.961  10.946
   90   1H2*    G   8          1H2*        G   8  -8.815  -1.795   8.338
   91   2H2*    G   8          2H2*        G   8  -7.277  -1.316   7.471
   92   1H5*  GAO   9          1H5*       +G   9  -9.451   4.858   6.893
   93   2H5*  GAO   9          2H5*       +G   9  -9.639   4.416   5.175
   94    H4*  GAO   9           H4*       +G   9  -7.880   6.227   5.973
   95    H3*  GAO   9           H3*       +G   9  -7.692   4.135   3.905
   96    H2*  GAO   9           H2*       +G   9  -5.133   5.385   3.911
   97   2HO*  GAO   9          2HO*       +C   9  -6.284   2.837   4.180
   98    H1*  GAO   9           H1*       +G   9  -5.047   5.909   6.120
   99    H8   GAO   9           H8        +G   9  -5.330   2.046   6.223
  100    H1   GAO   9           H1        +G   9   0.267   4.427   8.090
  101   1H2   GAO   9          1H2        +G   9   0.236   6.635   7.918
  102   2H2   GAO   9          2H2        +G   9  -1.185   7.498   7.354
  103   1H5*  UAR  10          1H5*       +U  10  -5.579   8.132   4.212
  104   2H5*  UAR  10          2H5*       +U  10  -5.393   8.972   2.659
  105    H4*  UAR  10           H4*       +U  10  -3.423   9.310   4.137
  106    H3*  UAR  10           H3*       +U  10  -3.229   7.933   1.501
  107    H2*  UAR  10           H2*       +U  10  -0.596   8.464   2.600
  108   2HO*  UAR  10          2HO*       +C  10  -1.219   7.071   0.814
  109    H1*  UAR  10           H1*       +U  10  -1.061   7.887   4.734
  110    H3   UAR  10           H3        +U  10   1.559   4.188   5.069
  111    H5   UAR  10           H5        +U  10  -2.165   2.685   3.805
  112    H6   UAR  10           H6        +U  10  -2.939   4.971   3.567
  113   1H5*  CAR  11          1H5*       +C  11  -0.069  10.680   2.752
  114   2H5*  CAR  11          2H5*       +C  11   0.705  11.628   1.464
  115    H4*  CAR  11           H4*       +C  11   2.393  10.547   2.909
  116    H3*  CAR  11           H3*       +C  11   2.124   9.935   0.022
  117    H2*  CAR  11           H2*       +C  11   4.424   8.520   0.981
  118   2HO*  CAR  11          2HO*       +C  11   3.040   8.182  -0.927
  119    H1*  CAR  11           H1*       +C  11   3.622   8.045   3.057
  120   1HN4  CAR  11          1H4        +C  11   2.645   1.809   2.153
  121   2HN4  CAR  11          2H4        +C  11   1.022   2.115   1.557
  122    H5   CAR  11           H5        +C  11   0.124   4.340   1.260
  123    H6   CAR  11           H6        +C  11   0.597   6.736   1.459
  124   1H5*  CAR  12          1H5*       +C  12   6.387   9.882   1.699
  125   2H5*  CAR  12          2H5*       +C  12   7.473  10.612   0.497
  126    H4*  CAR  12           H4*       +C  12   8.437   8.515   1.289
  127    H3*  CAR  12           H3*       +C  12   7.506   8.802  -1.513
  128    H3T  CAR  12           H3T       +C  12   9.960   8.061  -0.238
  129    H2*  CAR  12           H2*       +C  12   8.808   6.255  -1.281
  130   2HO*  CAR  12          2HO*       +C  12   7.316   6.958  -2.915
  131    H1*  CAR  12           H1*       +C  12   8.117   5.784   0.841
  132   1HN4  CAR  12          1H4        +C  12   3.786   1.316  -0.504
  133   2HN4  CAR  12          2H4        +C  12   2.566   2.536  -0.820
  134    H5   CAR  12           H5        +C  12   3.012   4.904  -0.745
  135    H6   CAR  12           H6        +C  12   4.727   6.611  -0.363
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1  11.053   1.826   7.056
    2   2H5*    G   1          2H5*        G   1  10.464   1.040   5.566
    3    H4*    G   1           H4*        G   1  10.292  -0.339   7.669
    4    H3*    G   1           H3*        G   1   7.836   0.496   6.154
    5    H2*    G   1           H2*        G   1   6.416  -0.440   7.638
    6   2HO*    G   1          2HO*        G   1   7.238  -2.527   7.681
    7    H1*    G   1           H1*        G   1   7.918  -0.174   9.969
    8    H8     G   1           H8         G   1   7.520   3.128   8.339
    9    H1     G   1           H1         G   1   2.005   0.922  10.648
   10   1H2     G   1          1H2         G   1   2.244  -1.205  11.232
   11   2H2     G   1          2H2         G   1   3.770  -2.047  11.043
   12    H5T    G   1           H5T        G   1   8.486   2.252   5.927
   13   1H5*    G   2          1H5*        G   2   8.154  -4.158   7.369
   14   2H5*    G   2          2H5*        G   2   7.698  -4.901   5.810
   15    H4*    G   2           H4*        G   2   6.781  -6.075   7.827
   16    H3*    G   2           H3*        G   2   4.971  -4.721   5.851
   17    H2*    G   2           H2*        G   2   3.052  -5.218   7.034
   18   2HO*    G   2          2HO*        G   2   4.343  -7.430   7.617
   19    H1*    G   2           H1*        G   2   3.975  -4.818   9.565
   20    H8     G   2           H8         G   2   5.444  -2.208   7.410
   21    H1     G   2           H1         G   2  -0.665  -1.016   8.607
   22   1H2     G   2          1H2         G   2  -1.639  -2.785   9.493
   23   2H2     G   2          2H2         G   2  -0.762  -4.272   9.801
   24   1H5*    A   3          1H5*        A   3   2.678  -7.857   6.860
   25   2H5*    A   3          2H5*        A   3   2.431  -8.847   5.407
   26    H4*    A   3           H4*        A   3   0.267  -8.475   6.328
   27    H3*    A   3           H3*        A   3   0.955  -6.724   3.982
   28    H2*    A   3           H2*        A   3  -1.149  -5.750   4.020
   29   2HO*    A   3          2HO*        A   3  -2.912  -6.692   4.867
   30    H1*    A   3           H1*        A   3  -1.462  -5.579   6.717
   31    H8     A   3           H8         A   3   1.977  -4.614   5.391
   32   1H6     A   3          1H6         A   3  -0.301   1.091   4.796
   33   2H6     A   3          2H6         A   3   1.152   0.114   4.729
   34    H2     A   3           H2         A   3  -3.672  -1.713   5.845
   35   1H5*    C   4          1H5*        C   4  -2.609  -8.473   3.208
   36   2H5*    C   4          2H5*        C   4  -3.032  -8.787   1.512
   37    H4*    C   4           H4*        C   4  -4.597  -7.190   2.557
   38    H3*    C   4           H3*        C   4  -2.772  -6.304   0.349
   39    H2*    C   4           H2*        C   4  -3.498  -4.145   0.419
   40   2HO*    C   4          2HO*        C   4  -5.619  -4.083   0.305
   41    H1*    C   4           H1*        C   4  -4.141  -3.985   3.141
   42   1H4     C   4          1H4         C   4   0.901  -0.298   2.173
   43   2H4     C   4          2H4         C   4   1.938  -1.680   1.891
   44    H5     C   4           H5         C   4   1.107  -3.961   1.842
   45    H6     C   4           H6         C   4  -0.887  -5.367   2.053
   46   1H5*    T   5          1H5*        T   5  -6.538  -4.973  -0.837
   47   2H5*    T   5          2H5*        T   5  -6.797  -5.118  -2.588
   48    H4*    T   5           H4*        T   5  -6.979  -2.768  -1.867
   49    H3*    T   5           H3*        T   5  -4.771  -3.698  -3.653
   50   1H2*    T   5          1H2*        T   5  -3.644  -1.729  -3.645
   51   2H2*    T   5          2H2*        T   5  -5.144  -0.779  -3.234
   52    H1*    T   5           H1*        T   5  -4.372  -0.743  -1.133
   53    H3     T   5           H3         T   5   0.068  -0.836  -0.563
   54   1H5M    T   5          1H5M        T   5  -1.144  -5.653  -2.433
   55   2H5M    T   5          2H5M        T   5  -1.095  -5.837  -0.667
   56   3H5M    T   5          3H5M        T   5   0.367  -5.340  -1.549
   57    H6     T   5           H6         T   5  -3.143  -4.169  -1.837
   58   1H5*    T   6          1H5*        T   6  -5.652  -0.582  -5.577
   59   2H5*    T   6          2H5*        T   6  -5.359  -0.535  -7.321
   60    H4*    T   6           H4*        T   6  -3.618   0.551  -5.706
   61    H3*    T   6           H3*        T   6  -3.385  -0.547  -8.273
   62   1H2*    T   6          1H2*        T   6  -2.355  -2.505  -7.720
   63   2H2*    T   6          2H2*        T   6  -0.877  -1.428  -7.716
   64    H1*    T   6           H1*        T   6  -0.831  -1.319  -5.425
   65    H3     T   6           H3         T   6   0.701  -5.454  -4.651
   66   1H5M    T   6          1H5M        T   6  -3.503  -7.335  -4.987
   67   2H5M    T   6          2H5M        T   6  -4.238  -6.274  -6.213
   68   3H5M    T   6          3H5M        T   6  -4.491  -5.942  -4.483
   69    H6     T   6           H6         T   6  -3.622  -3.711  -5.773
   70   1H5*    C   7          1H5*        C   7  -1.871   3.399  -5.030
   71   2H5*    C   7          2H5*        C   7  -2.276   4.766  -6.084
   72    H4*    C   7           H4*        C   7  -0.375   5.305  -4.625
   73    H3*    C   7           H3*        C   7  -0.416   5.539  -7.462
   74    H1*    C   7           H1*        C   7   2.692   4.528  -5.328
   75   1H4     C   7          1H4         C   7   5.537  -0.622  -7.692
   76   2H4     C   7          2H4         C   7   3.998  -1.385  -8.018
   77    H5     C   7           H5         C   7   1.883  -0.305  -7.619
   78    H6     C   7           H6         C   7   0.791   1.742  -6.831
   79   1H2*    C   7          1H2*        C   7   1.312   4.190  -7.960
   80   2H2*    C   7          2H2*        C   7   2.334   5.569  -7.330
   81   1H5*    G   8          1H5*        G   8  -1.823   9.122  -3.802
   82   2H5*    G   8          2H5*        G   8  -0.401   8.076  -3.531
   83    H4*    G   8           H4*        G   8  -3.362   7.393  -3.118
   84    H3*    G   8           H3*        G   8  -1.618   8.870  -1.473
   85    H1*    G   8           H1*        G   8  -2.345   5.060  -0.944
   86    H8     G   8           H8         G   8  -0.818   3.153  -0.120
   87    H1     G   8           H1         G   8   4.165   5.157  -3.541
   88   1H2     G   8          1H2         G   8   3.650   7.046  -4.576
   89   2H2     G   8          2H2         G   8   2.082   7.799  -4.422
   90   1H2*    G   8          1H2*        G   8  -0.248   7.195  -0.800
   91   2H2*    G   8          2H2*        G   8  -1.627   6.819   0.335
   92   1H5*  GAO   9          1H5*       +G   9  -5.909   8.111  -0.808
   93   2H5*  GAO   9          2H5*       +G   9  -7.066   9.033   0.188
   94    H4*  GAO   9           H4*       +G   9  -7.427   6.746   0.692
   95    H3*  GAO   9           H3*       +G   9  -5.825   8.234   2.690
   96    H2*  GAO   9           H2*       +G   9  -6.254   5.610   3.746
   97   2HO*  GAO   9          2HO*       +C   9  -3.896   7.008   2.902
   98    H1*  GAO   9           H1*       +G   9  -6.206   4.491   1.760
   99    H8   GAO   9           H8        +G   9  -2.687   6.115   1.852
  100    H1   GAO   9           H1        +G   9  -2.717  -0.233   2.122
  101   1H2   GAO   9          1H2        +G   9  -4.799  -0.980   2.157
  102   2H2   GAO   9          2H2        +G   9  -6.174   0.105   2.102
  103   1H5*  UAR  10          1H5*       +U  10  -9.073   5.364   3.892
  104   2H5*  UAR  10          2H5*       +U  10  -9.792   5.537   5.506
  105    H4*  UAR  10           H4*       +U  10  -9.120   3.193   5.012
  106    H3*  UAR  10           H3*       +U  10  -7.958   4.755   7.269
  107    H2*  UAR  10           H2*       +U  10  -7.153   1.978   7.440
  108   2HO*  UAR  10          2HO*       +C  10  -6.029   4.558   7.538
  109    H1*  UAR  10           H1*       +U  10  -6.841   1.653   5.223
  110    H3   UAR  10           H3        +U  10  -2.446   0.711   5.153
  111    H5   UAR  10           H5        +U  10  -2.520   4.903   4.888
  112    H6   UAR  10           H6        +U  10  -4.921   4.814   5.208
  113   1H5*  CAR  11          1H5*       +C  11  -9.028   0.299   8.147
  114   2H5*  CAR  11          2H5*       +C  11  -9.566   0.211   9.839
  115    H4*  CAR  11           H4*       +C  11  -7.891  -1.537   9.368
  116    H3*  CAR  11           H3*       +C  11  -7.458   0.618  11.335
  117    H2*  CAR  11           H2*       +C  11  -5.118  -1.004  11.473
  118   2HO*  CAR  11          2HO*       +C  11  -5.582   1.684  10.614
  119    H1*  CAR  11           H1*       +C  11  -5.065  -1.633   9.275
  120   1HN4  CAR  11          1H4        +C  11   0.003   1.777   7.484
  121   2HN4  CAR  11          2H4        +C  11  -0.976   3.223   7.303
  122    H5   CAR  11           H5        +C  11  -3.324   3.298   7.844
  123    H6   CAR  11           H6        +C  11  -5.239   2.005   8.647
  124   1H5*  CAR  12          1H5*       +C  12  -5.622  -3.400  12.046
  125   2H5*  CAR  12          2H5*       +C  12  -5.575  -3.880  13.755
  126    H4*  CAR  12           H4*       +C  12  -3.390  -4.256  12.683
  127    H3*  CAR  12           H3*       +C  12  -3.742  -2.305  14.893
  128    H3T  CAR  12           H3T       +C  12  -2.157  -3.802  15.777
  129    H2*  CAR  12           H2*       +C  12  -0.935  -2.521  14.322
  130   2HO*  CAR  12          2HO*       +C  12  -1.151  -0.277  14.380
  131    H1*  CAR  12           H1*       +C  12  -1.136  -2.768  12.067
  132   1HN4  CAR  12          1H4        +C  12   0.880   2.985  10.245
  133   2HN4  CAR  12          2H4        +C  12  -0.716   3.668  10.489
  134    H5   CAR  12           H5        +C  12  -2.582   2.403  11.349
  135    H6   CAR  12           H6        +C  12  -3.309   0.219  12.192
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1  10.834   3.338   6.935
    2   2H5*    G   1          2H5*        G   1  10.581   2.119   5.655
    3    H4*    G   1           H4*        G   1  10.547   1.175   7.955
    4    H3*    G   1           H3*        G   1   8.014   1.228   6.342
    5    H2*    G   1           H2*        G   1   6.775   0.296   7.994
    6   2HO*    G   1          2HO*        G   1   8.062  -1.513   8.409
    7    H1*    G   1           H1*        G   1   8.108   1.330  10.203
    8    H8     G   1           H8         G   1   7.209   4.136   8.018
    9    H1     G   1           H1         G   1   2.028   1.450  10.563
   10   1H2     G   1          1H2         G   1   2.576  -0.496  11.475
   11   2H2     G   1          2H2         G   1   4.222  -1.101  11.446
   12    H5T    G   1           H5T        G   1   8.559   3.834   6.701
   13   1H5*    G   2          1H5*        G   2   8.878  -3.178   8.495
   14   2H5*    G   2          2H5*        G   2   8.875  -3.991   6.904
   15    H4*    G   2           H4*        G   2   7.728  -5.333   8.620
   16    H3*    G   2           H3*        G   2   6.092  -3.995   6.485
   17    H2*    G   2           H2*        G   2   4.097  -4.819   7.311
   18   2HO*    G   2          2HO*        G   2   5.536  -6.904   7.952
   19    H1*    G   2           H1*        G   2   4.571  -4.446   9.964
   20    H8     G   2           H8         G   2   6.087  -1.685   7.935
   21    H1     G   2           H1         G   2  -0.150  -0.866   8.755
   22   1H2     G   2          1H2         G   2  -1.064  -2.674   9.631
   23   2H2     G   2          2H2         G   2  -0.117  -4.096  10.024
   24   1H5*    A   3          1H5*        A   3   4.506  -7.646   6.605
   25   2H5*    A   3          2H5*        A   3   4.239  -8.357   5.001
   26    H4*    A   3           H4*        A   3   2.130  -8.264   6.213
   27    H3*    A   3           H3*        A   3   2.505  -6.357   3.916
   28    H2*    A   3           H2*        A   3   0.364  -5.530   4.183
   29   2HO*    A   3          2HO*        A   3  -1.272  -6.627   5.143
   30    H1*    A   3           H1*        A   3   0.221  -5.580   6.904
   31    H8     A   3           H8         A   3   3.443  -4.153   5.497
   32   1H6     A   3          1H6         A   3   0.416   1.181   4.934
   33   2H6     A   3          2H6         A   3   1.982   0.398   4.832
   34    H2     A   3           H2         A   3  -2.533  -2.039   6.084
   35   1H5*    C   4          1H5*        C   4  -1.137  -8.540   3.605
   36   2H5*    C   4          2H5*        C   4  -1.623  -8.952   1.948
   37    H4*    C   4           H4*        C   4  -3.423  -7.778   3.189
   38    H3*    C   4           H3*        C   4  -2.146  -6.576   0.758
   39    H2*    C   4           H2*        C   4  -3.305  -4.605   0.917
   40   2HO*    C   4          2HO*        C   4  -5.276  -6.170   1.570
   41    H1*    C   4           H1*        C   4  -3.534  -4.406   3.669
   42   1H4     C   4          1H4         C   4   0.903  -0.184   2.039
   43   2H4     C   4          2H4         C   4   2.063  -1.455   1.711
   44    H5     C   4           H5         C   4   1.507  -3.806   1.816
   45    H6     C   4           H6         C   4  -0.288  -5.426   2.262
   46   1H5*    T   5          1H5*        T   5  -6.214  -5.664   0.081
   47   2H5*    T   5          2H5*        T   5  -6.581  -6.011  -1.621
   48    H4*    T   5           H4*        T   5  -7.043  -3.663  -1.115
   49    H3*    T   5           H3*        T   5  -4.772  -4.365  -2.946
   50   1H2*    T   5          1H2*        T   5  -4.058  -2.217  -3.158
   51   2H2*    T   5          2H2*        T   5  -5.700  -1.543  -2.748
   52    H1*    T   5           H1*        T   5  -4.890  -1.178  -0.693
   53    H3     T   5           H3         T   5  -0.514  -0.269  -0.427
   54   1H5M    T   5          1H5M        T   5   0.701  -4.690  -1.077
   55   2H5M    T   5          2H5M        T   5  -0.724  -5.362  -1.903
   56   3H5M    T   5          3H5M        T   5  -0.617  -5.417  -0.130
   57    H6     T   5           H6         T   5  -2.982  -4.304  -1.251
   58   1H5*    T   6          1H5*        T   6  -6.863  -1.471  -4.865
   59   2H5*    T   6          2H5*        T   6  -6.810  -1.399  -6.634
   60    H4*    T   6           H4*        T   6  -5.574   0.462  -5.355
   61    H3*    T   6           H3*        T   6  -4.972  -0.820  -7.787
   62   1H2*    T   6          1H2*        T   6  -3.122  -1.972  -7.149
   63   2H2*    T   6          2H2*        T   6  -2.313  -0.343  -7.336
   64    H1*    T   6           H1*        T   6  -2.262   0.011  -5.081
   65    H3     T   6           H3         T   6   0.765  -2.874  -3.491
   66   1H5M    T   6          1H5M        T   6  -1.728  -6.582  -4.659
   67   2H5M    T   6          2H5M        T   6  -2.560  -5.955  -6.102
   68   3H5M    T   6          3H5M        T   6  -3.374  -5.917  -4.520
   69    H6     T   6           H6         T   6  -3.507  -3.464  -5.601
   70   1H5*    C   7          1H5*        C   7  -3.858   3.560  -6.700
   71   2H5*    C   7          2H5*        C   7  -4.066   4.511  -8.187
   72    H4*    C   7           H4*        C   7  -2.659   5.695  -6.543
   73    H3*    C   7           H3*        C   7  -2.004   5.199  -9.263
   74    H1*    C   7           H1*        C   7   0.542   5.222  -6.305
   75   1H4     C   7          1H4         C   7   4.292   0.113  -6.537
   76   2H4     C   7          2H4         C   7   2.915  -0.939  -6.761
   77    H5     C   7           H5         C   7   0.659  -0.122  -6.995
   78    H6     C   7           H6         C   7  -0.749   1.881  -7.078
   79   1H2*    C   7          1H2*        C   7  -0.112   4.013  -8.963
   80   2H2*    C   7          2H2*        C   7   0.617   5.639  -8.551
   81   1H5*    G   8          1H5*        G   8  -3.415   9.446  -5.817
   82   2H5*    G   8          2H5*        G   8  -1.868   8.554  -5.890
   83    H4*    G   8           H4*        G   8  -4.444   7.724  -4.443
   84    H3*    G   8           H3*        G   8  -2.522   9.636  -3.652
   85    H1*    G   8           H1*        G   8  -2.590   5.947  -2.367
   86    H8     G   8           H8         G   8   0.747   7.263  -3.538
   87    H1     G   8           H1         G   8   0.468   0.907  -3.508
   88   1H2     G   8          1H2         G   8  -1.606   0.249  -3.182
   89   2H2     G   8          2H2         G   8  -2.928   1.377  -2.973
   90   1H2*    G   8          1H2*        G   8  -0.821   8.240  -3.132
   91   2H2*    G   8          2H2*        G   8  -1.791   7.951  -1.613
   92   1H5*  GAO   9          1H5*       +G   9  -5.888   7.837  -1.174
   93   2H5*  GAO   9          2H5*       +G   9  -6.493   8.893   0.133
   94    H4*  GAO   9           H4*       +G   9  -7.064   6.469   0.399
   95    H3*  GAO   9           H3*       +G   9  -5.502   8.032   2.349
   96    H2*  GAO   9           H2*       +G   9  -5.686   5.435   3.484
   97   2HO*  GAO   9          2HO*       +C   9  -3.579   7.094   2.542
   98    H1*  GAO   9           H1*       +G   9  -5.716   4.245   1.548
   99    H8   GAO   9           H8        +G   9  -2.288   6.011   1.263
  100    H1   GAO   9           H1        +G   9  -2.046  -0.271   2.195
  101   1H2   GAO   9          1H2        +G   9  -4.107  -1.067   2.427
  102   2H2   GAO   9          2H2        +G   9  -5.516  -0.030   2.335
  103   1H5*  UAR  10          1H5*       +U  10  -8.461   4.527   3.355
  104   2H5*  UAR  10          2H5*       +U  10  -9.310   4.876   4.876
  105    H4*  UAR  10           H4*       +U  10  -8.710   2.471   4.702
  106    H3*  UAR  10           H3*       +U  10  -7.692   4.254   6.834
  107    H2*  UAR  10           H2*       +U  10  -6.771   1.584   7.385
  108   2HO*  UAR  10          2HO*       +C  10  -6.062   3.775   8.126
  109    H1*  UAR  10           H1*       +U  10  -6.308   0.965   5.255
  110    H3   UAR  10           H3        +U  10  -1.819   0.442   5.296
  111    H5   UAR  10           H5        +U  10  -2.315   4.568   4.651
  112    H6   UAR  10           H6        +U  10  -4.697   4.260   4.956
  113   1H5*  CAR  11          1H5*       +C  11  -8.607  -0.052   7.877
  114   2H5*  CAR  11          2H5*       +C  11  -9.185  -0.248   9.546
  115    H4*  CAR  11           H4*       +C  11  -7.368  -1.847   9.037
  116    H3*  CAR  11           H3*       +C  11  -7.170   0.209  11.146
  117    H2*  CAR  11           H2*       +C  11  -4.734  -1.262  11.294
  118   2HO*  CAR  11          2HO*       +C  11  -5.282   0.946  11.973
  119    H1*  CAR  11           H1*       +C  11  -4.569  -1.765   9.073
  120   1HN4  CAR  11          1H4        +C  11   0.407   1.912   7.623
  121   2HN4  CAR  11          2H4        +C  11  -0.639   3.297   7.351
  122    H5   CAR  11           H5        +C  11  -3.020   3.247   7.760
  123    H6   CAR  11           H6        +C  11  -4.901   1.854   8.479
  124   1H5*  CAR  12          1H5*       +C  12  -4.867  -3.635  12.068
  125   2H5*  CAR  12          2H5*       +C  12  -4.905  -3.933  13.819
  126    H4*  CAR  12           H4*       +C  12  -2.591  -3.979  13.008
  127    H3*  CAR  12           H3*       +C  12  -3.501  -1.796  14.832
  128    H3T  CAR  12           H3T       +C  12  -2.010  -2.922  16.183
  129    H2*  CAR  12           H2*       +C  12  -0.612  -1.822  14.535
  130   2HO*  CAR  12          2HO*       +C  12  -1.016   0.391  14.388
  131    H1*  CAR  12           H1*       +C  12  -0.584  -2.207  12.307
  132   1HN4  CAR  12          1H4        +C  12   0.506   3.586   9.917
  133   2HN4  CAR  12          2H4        +C  12  -1.173   4.044  10.131
  134    H5   CAR  12           H5        +C  12  -2.816   2.603  11.147
  135    H6   CAR  12           H6        +C  12  -3.211   0.413  12.169
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1  11.580   1.092  10.456
    2   2H5*    G   1          2H5*        G   1  11.678   0.486   8.779
    3    H4*    G   1           H4*        G   1  10.864  -1.192  10.445
    4    H3*    G   1           H3*        G   1   9.021  -0.190   8.290
    5    H2*    G   1           H2*        G   1   7.283  -1.482   9.023
    6   2HO*    G   1          2HO*        G   1   7.535  -3.418   9.864
    7    H1*    G   1           H1*        G   1   7.792  -1.411  11.741
    8    H8     G   1           H8         G   1   7.867   2.053  10.324
    9    H1     G   1           H1         G   1   1.935  -0.153  11.006
   10   1H2     G   1          1H2         G   1   1.978  -2.318  11.437
   11   2H2     G   1          2H2         G   1   3.480  -3.211  11.558
   12    H5T    G   1           H5T        G   1   9.583   2.085   9.869
   13   1H5*    G   2          1H5*        G   2   8.546  -4.360   8.474
   14   2H5*    G   2          2H5*        G   2   8.423  -5.092   6.850
   15    H4*    G   2           H4*        G   2   6.548  -5.645   8.433
   16    H3*    G   2           H3*        G   2   6.005  -4.082   5.916
   17    H2*    G   2           H2*        G   2   3.816  -3.842   6.408
   18   2HO*    G   2          2HO*        G   2   3.083  -5.868   6.637
   19    H1*    G   2           H1*        G   2   3.964  -4.053   9.220
   20    H8     G   2           H8         G   2   5.818  -1.145   7.668
   21    H1     G   2           H1         G   2  -0.432  -0.182   8.197
   22   1H2     G   2          1H2         G   2  -1.444  -2.076   8.741
   23   2H2     G   2          2H2         G   2  -0.549  -3.563   8.983
   24   1H5*    A   3          1H5*        A   3   3.074  -7.737   6.548
   25   2H5*    A   3          2H5*        A   3   2.931  -8.391   4.904
   26    H4*    A   3           H4*        A   3   0.722  -8.204   5.960
   27    H3*    A   3           H3*        A   3   1.402  -6.424   3.638
   28    H2*    A   3           H2*        A   3  -0.682  -5.404   3.675
   29   2HO*    A   3          2HO*        A   3  -1.466  -7.825   4.489
   30    H1*    A   3           H1*        A   3  -1.073  -5.323   6.387
   31    H8     A   3           H8         A   3   2.375  -4.333   5.124
   32   1H6     A   3          1H6         A   3   0.135   1.401   4.730
   33   2H6     A   3          2H6         A   3   1.584   0.414   4.637
   34    H2     A   3           H2         A   3  -3.258  -1.414   5.665
   35   1H5*    C   4          1H5*        C   4  -2.264  -7.574   2.938
   36   2H5*    C   4          2H5*        C   4  -2.646  -7.959   1.250
   37    H4*    C   4           H4*        C   4  -4.050  -6.126   2.047
   38    H3*    C   4           H3*        C   4  -1.928  -5.468   0.017
   39    H2*    C   4           H2*        C   4  -2.604  -3.291  -0.068
   40   2HO*    C   4          2HO*        C   4  -4.772  -3.599  -0.521
   41    H1*    C   4           H1*        C   4  -3.612  -3.112   2.583
   42   1H4     C   4          1H4         C   4   1.307   0.870   2.073
   43   2H4     C   4          2H4         C   4   2.437  -0.463   1.945
   44    H5     C   4           H5         C   4   1.737  -2.782   1.873
   45    H6     C   4           H6         C   4  -0.186  -4.295   1.935
   46   1H5*    T   5          1H5*        T   5  -5.502  -4.740  -2.178
   47   2H5*    T   5          2H5*        T   5  -5.291  -4.881  -3.934
   48    H4*    T   5           H4*        T   5  -5.691  -2.536  -3.219
   49    H3*    T   5           H3*        T   5  -3.121  -3.369  -4.523
   50   1H2*    T   5          1H2*        T   5  -2.104  -1.370  -4.213
   51   2H2*    T   5          2H2*        T   5  -3.692  -0.474  -4.194
   52    H1*    T   5           H1*        T   5  -3.509  -0.430  -1.965
   53    H3     T   5           H3         T   5   0.669  -0.039  -0.425
   54   1H5M    T   5          1H5M        T   5   1.682  -4.461  -1.231
   55   2H5M    T   5          2H5M        T   5   0.690  -4.768  -2.676
   56   3H5M    T   5          3H5M        T   5   0.064  -5.184  -1.063
   57    H6     T   5           H6         T   5  -1.767  -3.677  -2.390
   58   1H5*    T   6          1H5*        T   6  -3.278  -0.160  -6.596
   59   2H5*    T   6          2H5*        T   6  -3.480  -0.407  -8.338
   60    H4*    T   6           H4*        T   6  -1.404   0.924  -7.589
   61    H3*    T   6           H3*        T   6  -1.785  -0.908  -9.702
   62   1H2*    T   6          1H2*        T   6  -0.486  -2.603  -8.975
   63   2H2*    T   6          2H2*        T   6   0.876  -1.537  -9.566
   64    H1*    T   6           H1*        T   6   1.427  -0.887  -7.443
   65    H3     T   6           H3         T   6   3.168  -4.874  -6.251
   66   1H5M    T   6          1H5M        T   6  -2.031  -5.600  -5.885
   67   2H5M    T   6          2H5M        T   6  -1.654  -4.925  -4.282
   68   3H5M    T   6          3H5M        T   6  -0.919  -6.462  -4.793
   69    H6     T   6           H6         T   6  -1.288  -3.088  -6.307
   70   1H5*    C   7          1H5*        C   7  -3.555   2.940  -9.323
   71   2H5*    C   7          2H5*        C   7  -2.584   4.326  -9.860
   72    H4*    C   7           H4*        C   7  -3.842   4.662  -7.680
   73    H3*    C   7           H3*        C   7  -1.217   5.443  -8.398
   74    H1*    C   7           H1*        C   7  -2.241   4.116  -4.868
   75   1H4     C   7          1H4         C   7   0.564  -1.516  -3.447
   76   2H4     C   7          2H4         C   7   2.082  -0.782  -3.910
   77    H5     C   7           H5         C   7   2.234   1.390  -4.928
   78    H6     C   7           H6         C   7   0.977   3.310  -5.743
   79   1H2*    C   7          1H2*        C   7  -0.061   4.201  -6.929
   80   2H2*    C   7          2H2*        C   7  -0.593   5.463  -5.721
   81   1H5*    G   8          1H5*        G   8  -3.803   7.314  -5.130
   82   2H5*    G   8          2H5*        G   8  -3.531   8.996  -4.597
   83    H4*    G   8           H4*        G   8  -4.324   7.455  -2.801
   84    H3*    G   8           H3*        G   8  -2.041   9.156  -2.685
   85    H1*    G   8           H1*        G   8  -2.308   5.603  -1.040
   86    H8     G   8           H8         G   8  -1.149   3.260  -1.394
   87    H1     G   8           H1         G   8   3.448   5.834  -4.972
   88   1H2     G   8          1H2         G   8   2.956   7.949  -5.412
   89   2H2     G   8          2H2         G   8   1.497   8.705  -4.821
   90   1H2*    G   8          1H2*        G   8  -0.459   7.616  -2.268
   91   2H2*    G   8          2H2*        G   8  -1.199   7.558  -0.598
   92   1H5*  GAO   9          1H5*       +G   9  -5.487   9.669  -0.587
   93   2H5*  GAO   9          2H5*       +G   9  -6.127  10.552   0.828
   94    H4*  GAO   9           H4*       +G   9  -6.800   8.143   0.720
   95    H3*  GAO   9           H3*       +G   9  -5.261   9.335   2.933
   96    H2*  GAO   9           H2*       +G   9  -5.651   6.614   3.677
   97   2HO*  GAO   9          2HO*       +C   9  -3.999   8.269   4.264
   98    H1*  GAO   9           H1*       +G   9  -5.598   5.705   1.595
   99    H8   GAO   9           H8        +G   9  -2.111   7.359   1.692
  100    H1   GAO   9           H1        +G   9  -2.053   0.995   1.907
  101   1H2   GAO   9          1H2        +G   9  -4.132   0.236   1.960
  102   2H2   GAO   9          2H2        +G   9  -5.517   1.311   1.931
  103   1H5*  UAR  10          1H5*       +U  10  -8.381   5.995   3.356
  104   2H5*  UAR  10          2H5*       +U  10  -9.337   6.148   4.845
  105    H4*  UAR  10           H4*       +U  10  -8.805   3.783   4.378
  106    H3*  UAR  10           H3*       +U  10  -7.873   5.188   6.804
  107    H2*  UAR  10           H2*       +U  10  -7.015   2.474   7.066
  108   2HO*  UAR  10          2HO*       +C  10  -6.252   4.603   7.985
  109    H1*  UAR  10           H1*       +U  10  -6.623   2.077   4.858
  110    H3   UAR  10           H3        +U  10  -2.254   0.965   5.173
  111    H5   UAR  10           H5        +U  10  -2.176   5.138   4.662
  112    H6   UAR  10           H6        +U  10  -4.592   5.138   4.834
  113   1H5*  CAR  11          1H5*       +C  11  -9.017   0.695   7.244
  114   2H5*  CAR  11          2H5*       +C  11  -9.705   0.437   8.861
  115    H4*  CAR  11           H4*       +C  11  -7.976  -1.258   8.351
  116    H3*  CAR  11           H3*       +C  11  -7.709   0.690  10.570
  117    H2*  CAR  11           H2*       +C  11  -5.493  -1.143  10.710
  118   2HO*  CAR  11          2HO*       +C  11  -5.817   1.020  11.655
  119    H1*  CAR  11           H1*       +C  11  -5.144  -1.354   8.478
  120   1HN4  CAR  11          1H4        +C  11  -0.008   2.318   7.699
  121   2HN4  CAR  11          2H4        +C  11  -0.996   3.770   7.657
  122    H5   CAR  11           H5        +C  11  -3.387   3.750   7.991
  123    H6   CAR  11           H6        +C  11  -5.334   2.334   8.427
  124   1H5*  CAR  12          1H5*       +C  12  -6.087  -3.544  11.131
  125   2H5*  CAR  12          2H5*       +C  12  -6.350  -4.084  12.803
  126    H4*  CAR  12           H4*       +C  12  -4.057  -4.593  12.132
  127    H3*  CAR  12           H3*       +C  12  -4.615  -2.569  14.236
  128    H3T  CAR  12           H3T       +C  12  -4.573  -4.846  14.620
  129    H2*  CAR  12           H2*       +C  12  -1.775  -3.025  14.124
  130   2HO*  CAR  12          2HO*       +C  12  -2.872  -1.227  15.078
  131    H1*  CAR  12           H1*       +C  12  -1.629  -3.276  11.863
  132   1HN4  CAR  12          1H4        +C  12   1.009   2.340  10.422
  133   2HN4  CAR  12          2H4        +C  12  -0.564   3.114  10.385
  134    H5   CAR  12           H5        +C  12  -2.616   1.965  10.914
  135    H6   CAR  12           H6        +C  12  -3.599  -0.169  11.605
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1  11.542   0.422  11.525
    2   2H5*    G   1          2H5*        G   1  11.685  -0.189   9.854
    3    H4*    G   1           H4*        G   1  10.662  -1.803  11.473
    4    H3*    G   1           H3*        G   1   9.080  -0.688   9.181
    5    H2*    G   1           H2*        G   1   7.144  -1.672   9.817
    6   2HO*    G   1          2HO*        G   1   7.298  -3.740  10.152
    7    H1*    G   1           H1*        G   1   7.522  -1.795  12.573
    8    H8     G   1           H8         G   1   7.903   1.685  11.218
    9    H1     G   1           H1         G   1   1.823  -0.182  11.634
   10   1H2     G   1          1H2         G   1   1.746  -2.357  12.062
   11   2H2     G   1          2H2         G   1   3.200  -3.316  12.247
   12    H5T    G   1           H5T        G   1   9.722   1.008   9.425
   13   1H5*    G   2          1H5*        G   2   8.271  -5.173   9.361
   14   2H5*    G   2          2H5*        G   2   8.307  -5.711   7.659
   15    H4*    G   2           H4*        G   2   6.299  -6.435   9.021
   16    H3*    G   2           H3*        G   2   6.000  -4.695   6.584
   17    H2*    G   2           H2*        G   2   3.774  -4.443   6.867
   18   2HO*    G   2          2HO*        G   2   3.160  -6.583   6.847
   19    H1*    G   2           H1*        G   2   3.604  -4.852   9.651
   20    H8     G   2           H8         G   2   5.710  -1.954   8.436
   21    H1     G   2           H1         G   2  -0.495  -0.656   8.645
   22   1H2     G   2          1H2         G   2  -1.647  -2.512   8.998
   23   2H2     G   2          2H2         G   2  -0.858  -4.066   9.191
   24   1H5*    A   3          1H5*        A   3   3.097  -8.545   6.723
   25   2H5*    A   3          2H5*        A   3   3.047  -9.003   5.009
   26    H4*    A   3           H4*        A   3   0.788  -9.008   6.023
   27    H3*    A   3           H3*        A   3   1.485  -7.038   3.865
   28    H2*    A   3           H2*        A   3  -0.615  -6.059   3.932
   29   2HO*    A   3          2HO*        A   3  -2.404  -7.094   4.509
   30    H1*    A   3           H1*        A   3  -1.068  -6.110   6.596
   31    H8     A   3           H8         A   3   2.454  -5.169   5.534
   32   1H6     A   3          1H6         A   3   0.399   0.646   5.240
   33   2H6     A   3          2H6         A   3   1.824  -0.376   5.193
   34    H2     A   3           H2         A   3  -3.116  -2.106   5.882
   35   1H5*    C   4          1H5*        C   4  -2.328  -8.589   3.039
   36   2H5*    C   4          2H5*        C   4  -2.625  -8.834   1.305
   37    H4*    C   4           H4*        C   4  -4.297  -7.312   2.344
   38    H3*    C   4           H3*        C   4  -2.424  -6.399   0.191
   39    H2*    C   4           H2*        C   4  -3.035  -4.209   0.312
   40   2HO*    C   4          2HO*        C   4  -5.151  -4.078   0.093
   41    H1*    C   4           H1*        C   4  -3.787  -4.055   3.000
   42   1H4     C   4          1H4         C   4   1.559  -0.702   2.601
   43   2H4     C   4          2H4         C   4   2.511  -2.142   2.299
   44    H5     C   4           H5         C   4   1.523  -4.337   2.025
   45    H6     C   4           H6         C   4  -0.580  -5.597   1.988
   46   1H5*    T   5          1H5*        T   5  -6.363  -4.693  -1.005
   47   2H5*    T   5          2H5*        T   5  -6.409  -4.786  -2.778
   48    H4*    T   5           H4*        T   5  -6.663  -2.458  -1.953
   49    H3*    T   5           H3*        T   5  -4.331  -3.306  -3.636
   50   1H2*    T   5          1H2*        T   5  -3.235  -1.321  -3.451
   51   2H2*    T   5          2H2*        T   5  -4.776  -0.404  -3.123
   52    H1*    T   5           H1*        T   5  -4.173  -0.454  -0.962
   53    H3     T   5           H3         T   5   0.165  -0.508   0.102
   54   1H5M    T   5          1H5M        T   5   0.766  -4.855  -1.334
   55   2H5M    T   5          2H5M        T   5  -0.471  -4.967  -2.609
   56   3H5M    T   5          3H5M        T   5  -0.846  -5.508  -0.955
   57    H6     T   5           H6         T   5  -2.737  -3.759  -1.912
   58   1H5*    T   6          1H5*        T   6  -6.016   0.261  -5.101
   59   2H5*    T   6          2H5*        T   6  -5.941   0.594  -6.840
   60    H4*    T   6           H4*        T   6  -4.743   2.278  -5.362
   61    H3*    T   6           H3*        T   6  -3.967   1.169  -7.845
   62   1H2*    T   6          1H2*        T   6  -2.108   0.068  -7.199
   63   2H2*    T   6          2H2*        T   6  -1.366   1.738  -7.157
   64    H1*    T   6           H1*        T   6  -1.488   1.852  -4.876
   65    H3     T   6           H3         T   6   1.522  -1.095  -3.379
   66   1H5M    T   6          1H5M        T   6  -0.810  -4.743  -4.990
   67   2H5M    T   6          2H5M        T   6  -1.628  -4.012  -6.392
   68   3H5M    T   6          3H5M        T   6  -2.475  -4.133  -4.831
   69    H6     T   6           H6         T   6  -2.608  -1.591  -5.777
   70   1H5*    C   7          1H5*        C   7  -2.994   5.701 -10.370
   71   2H5*    C   7          2H5*        C   7  -2.125   6.867  -9.349
   72    H4*    C   7           H4*        C   7  -4.217   7.872 -10.062
   73    H3*    C   7           H3*        C   7  -3.483   7.486  -7.349
   74    H1*    C   7           H1*        C   7  -7.142   7.143  -8.720
   75   1H4     C   7          1H4         C   7  -8.883   0.909  -7.905
   76   2H4     C   7          2H4         C   7  -8.841   1.313  -6.205
   77    H5     C   7           H5         C   7  -8.004   3.401  -5.372
   78    H6     C   7           H6         C   7  -6.995   5.540  -5.972
   79   1H2*    C   7          1H2*        C   7  -5.171   6.173  -6.682
   80   2H2*    C   7          2H2*        C   7  -6.155   7.712  -6.732
   81   1H5*    G   8          1H5*        G   8  -3.096  10.467  -4.119
   82   2H5*    G   8          2H5*        G   8  -1.707  10.286  -5.228
   83    H4*    G   8           H4*        G   8  -2.928   8.128  -3.427
   84    H3*    G   8           H3*        G   8  -1.238  10.312  -2.697
   85    H1*    G   8           H1*        G   8  -0.116   6.608  -3.200
   86    H8     G   8           H8         G   8   0.351   6.151  -6.290
   87    H1     G   8           H1         G   8   5.888   8.881  -4.729
   88   1H2     G   8          1H2         G   8   5.681   9.971  -2.810
   89   2H2     G   8          2H2         G   8   4.176  10.017  -1.924
   90   1H2*    G   8          1H2*        G   8   0.736   9.473  -3.405
   91   2H2*    G   8          2H2*        G   8   0.587   8.384  -1.943
   92   1H5*  GAO   9          1H5*       +G   9  -3.868   8.588  -0.633
   93   2H5*  GAO   9          2H5*       +G   9  -4.530   9.607   0.675
   94    H4*  GAO   9           H4*       +G   9  -5.501   7.289   0.509
   95    H3*  GAO   9           H3*       +G   9  -4.190   8.414   2.893
   96    H2*  GAO   9           H2*       +G   9  -5.005   5.791   3.656
   97   2HO*  GAO   9          2HO*       +C   9  -2.506   7.126   3.392
   98    H1*  GAO   9           H1*       +G   9  -4.729   4.770   1.651
   99    H8   GAO   9           H8        +G   9  -1.138   6.074   2.186
  100    H1   GAO   9           H1        +G   9  -1.797  -0.245   2.449
  101   1H2   GAO   9          1H2        +G   9  -3.938  -0.773   2.292
  102   2H2   GAO   9          2H2        +G   9  -5.185   0.444   2.109
  103   1H5*  UAR  10          1H5*       +U  10  -7.620   5.368   3.044
  104   2H5*  UAR  10          2H5*       +U  10  -8.724   5.690   4.398
  105    H4*  UAR  10           H4*       +U  10  -8.277   3.281   4.233
  106    H3*  UAR  10           H3*       +U  10  -7.421   4.886   6.566
  107    H2*  UAR  10           H2*       +U  10  -6.786   2.148   7.141
  108   2HO*  UAR  10          2HO*       +C  10  -5.976   4.327   7.931
  109    H1*  UAR  10           H1*       +U  10  -6.196   1.533   5.030
  110    H3   UAR  10           H3        +U  10  -1.888   0.332   5.498
  111    H5   UAR  10           H5        +U  10  -1.677   4.525   5.261
  112    H6   UAR  10           H6        +U  10  -4.099   4.579   5.224
  113   1H5*  CAR  11          1H5*       +C  11  -8.866   0.743   7.086
  114   2H5*  CAR  11          2H5*       +C  11  -9.682   0.355   8.616
  115    H4*  CAR  11           H4*       +C  11  -7.919  -1.300   8.100
  116    H3*  CAR  11           H3*       +C  11  -7.864   0.427  10.501
  117    H2*  CAR  11           H2*       +C  11  -5.612  -1.329  10.706
  118   2HO*  CAR  11          2HO*       +C  11  -6.117   0.829  11.662
  119    H1*  CAR  11           H1*       +C  11  -5.147  -1.454   8.480
  120   1HN4  CAR  11          1H4        +C  11   0.188   1.994   8.326
  121   2HN4  CAR  11          2H4        +C  11  -0.723   3.497   8.289
  122    H5   CAR  11           H5        +C  11  -3.136   3.582   8.424
  123    H6   CAR  11           H6        +C  11  -5.179   2.245   8.624
  124   1H5*  CAR  12          1H5*       +C  12  -6.175  -3.840  10.986
  125   2H5*  CAR  12          2H5*       +C  12  -6.592  -4.432  12.608
  126    H4*  CAR  12           H4*       +C  12  -4.230  -4.842  12.199
  127    H3*  CAR  12           H3*       +C  12  -5.033  -2.784  14.206
  128    H3T  CAR  12           H3T       +C  12  -5.119  -5.031  14.667
  129    H2*  CAR  12           H2*       +C  12  -2.197  -3.356  14.382
  130   2HO*  CAR  12          2HO*       +C  12  -3.355  -1.556  15.299
  131    H1*  CAR  12           H1*       +C  12  -1.831  -3.508  12.146
  132   1HN4  CAR  12          1H4        +C  12   0.940   2.125  11.103
  133   2HN4  CAR  12          2H4        +C  12  -0.615   2.930  11.027
  134    H5   CAR  12           H5        +C  12  -2.716   1.791  11.374
  135    H6   CAR  12           H6        +C  12  -3.769  -0.360  11.892
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1  11.672   1.077   9.574
    2   2H5*    G   1          2H5*        G   1  11.663   0.441   7.906
    3    H4*    G   1           H4*        G   1  11.120  -1.247   9.673
    4    H3*    G   1           H3*        G   1   9.094  -0.449   7.610
    5    H2*    G   1           H2*        G   1   7.429  -1.715   8.520
    6   2HO*    G   1          2HO*        G   1   7.769  -3.621   9.386
    7    H1*    G   1           H1*        G   1   8.070  -1.536  11.188
    8    H8     G   1           H8         G   1   8.081   1.877   9.659
    9    H1     G   1           H1         G   1   2.191  -0.324  10.678
   10   1H2     G   1          1H2         G   1   2.273  -2.482  11.165
   11   2H2     G   1          2H2         G   1   3.788  -3.359  11.240
   12    H5T    G   1           H5T        G   1   9.601   1.386   7.656
   13   1H5*    G   2          1H5*        G   2   8.804  -4.736   7.964
   14   2H5*    G   2          2H5*        G   2   8.588  -5.476   6.354
   15    H4*    G   2           H4*        G   2   6.854  -6.055   8.113
   16    H3*    G   2           H3*        G   2   6.089  -4.651   5.560
   17    H2*    G   2           H2*        G   2   3.923  -4.456   6.179
   18   2HO*    G   2          2HO*        G   2   3.125  -6.366   6.662
   19    H1*    G   2           H1*        G   2   4.247  -4.480   8.979
   20    H8     G   2           H8         G   2   5.965  -1.651   7.150
   21    H1     G   2           H1         G   2  -0.254  -0.716   7.987
   22   1H2     G   2          1H2         G   2  -1.210  -2.582   8.700
   23   2H2     G   2          2H2         G   2  -0.285  -4.045   8.976
   24   1H5*    A   3          1H5*        A   3   3.333  -8.219   6.642
   25   2H5*    A   3          2H5*        A   3   3.116  -9.075   5.101
   26    H4*    A   3           H4*        A   3   0.964  -8.847   6.233
   27    H3*    A   3           H3*        A   3   1.464  -7.261   3.735
   28    H2*    A   3           H2*        A   3  -0.636  -6.282   3.793
   29   2HO*    A   3          2HO*        A   3  -1.344  -8.639   4.762
   30    H1*    A   3           H1*        A   3  -0.902  -5.995   6.513
   31    H8     A   3           H8         A   3   2.439  -5.019   4.968
   32   1H6     A   3          1H6         A   3   0.019   0.617   4.298
   33   2H6     A   3          2H6         A   3   1.480  -0.346   4.161
   34    H2     A   3           H2         A   3  -3.220  -2.183   5.704
   35   1H5*    C   4          1H5*        C   4  -2.179  -8.589   3.199
   36   2H5*    C   4          2H5*        C   4  -2.591  -8.989   1.521
   37    H4*    C   4           H4*        C   4  -3.951  -7.118   2.373
   38    H3*    C   4           H3*        C   4  -1.943  -6.522   0.203
   39    H2*    C   4           H2*        C   4  -2.655  -4.362   0.098
   40   2HO*    C   4          2HO*        C   4  -4.809  -4.500  -0.200
   41    H1*    C   4           H1*        C   4  -3.478  -4.110   2.788
   42   1H4     C   4          1H4         C   4   1.286  -0.088   1.609
   43   2H4     C   4          2H4         C   4   2.438  -1.404   1.513
   44    H5     C   4           H5         C   4   1.793  -3.728   1.654
   45    H6     C   4           H6         C   4  -0.083  -5.274   1.986
   46   1H5*    T   5          1H5*        T   5  -6.294  -5.487  -0.909
   47   2H5*    T   5          2H5*        T   5  -6.430  -5.664  -2.671
   48    H4*    T   5           H4*        T   5  -7.352  -3.501  -1.836
   49    H3*    T   5           H3*        T   5  -5.042  -3.622  -3.748
   50   1H2*    T   5          1H2*        T   5  -4.670  -1.375  -3.708
   51   2H2*    T   5          2H2*        T   5  -6.371  -1.024  -3.180
   52    H1*    T   5           H1*        T   5  -5.512  -0.764  -1.132
   53    H3     T   5           H3         T   5  -1.239   0.636  -1.094
   54   1H5M    T   5          1H5M        T   5  -0.922  -4.390  -2.669
   55   2H5M    T   5          2H5M        T   5  -0.863  -4.546  -0.898
   56   3H5M    T   5          3H5M        T   5   0.403  -3.634  -1.752
   57    H6     T   5           H6         T   5  -3.321  -3.621  -1.874
   58   1H5*    T   6          1H5*        T   6  -7.537  -0.705  -5.266
   59   2H5*    T   6          2H5*        T   6  -7.397  -0.367  -7.000
   60    H4*    T   6           H4*        T   6  -6.462   1.402  -5.356
   61    H3*    T   6           H3*        T   6  -5.588   0.566  -7.925
   62   1H2*    T   6          1H2*        T   6  -3.580  -0.290  -7.387
   63   2H2*    T   6          2H2*        T   6  -3.090   1.456  -7.196
   64    H1*    T   6           H1*        T   6  -3.173   1.354  -4.927
   65    H3     T   6           H3         T   6   0.423  -1.171  -4.183
   66   1H5M    T   6          1H5M        T   6  -1.737  -5.096  -5.332
   67   2H5M    T   6          2H5M        T   6  -2.852  -4.486  -6.579
   68   3H5M    T   6          3H5M        T   6  -3.410  -4.670  -4.899
   69    H6     T   6           H6         T   6  -3.997  -2.177  -5.766
   70   1H5*    C   7          1H5*        C   7  -3.623   4.464  -6.263
   71   2H5*    C   7          2H5*        C   7  -3.117   5.611  -7.515
   72    H4*    C   7           H4*        C   7  -1.395   5.156  -5.708
   73    H3*    C   7           H3*        C   7  -1.049   5.409  -8.519
   74    H1*    C   7           H1*        C   7   0.910   2.901  -6.246
   75   1H4     C   7          1H4         C   7   0.453  -3.136  -8.120
   76   2H4     C   7          2H4         C   7  -0.752  -2.740  -9.323
   77    H5     C   7           H5         C   7  -1.590  -0.512  -9.662
   78    H6     C   7           H6         C   7  -1.455   1.814  -8.923
   79   1H2*    C   7          1H2*        C   7  -0.220   3.370  -8.978
   80   2H2*    C   7          2H2*        C   7   1.301   4.014  -8.199
   81   1H5*    G   8          1H5*        G   8  -0.918   9.150  -4.777
   82   2H5*    G   8          2H5*        G   8  -0.167   7.562  -4.448
   83    H4*    G   8           H4*        G   8  -3.148   8.280  -4.409
   84    H3*    G   8           H3*        G   8  -1.157   8.793  -2.467
   85    H1*    G   8           H1*        G   8  -3.612   5.735  -2.312
   86    H8     G   8           H8         G   8  -3.153   3.402  -1.262
   87    H1     G   8           H1         G   8   2.459   2.800  -4.205
   88   1H2     G   8          1H2         G   8   2.938   4.668  -5.296
   89   2H2     G   8          2H2         G   8   1.868   6.048  -5.298
   90   1H2*    G   8          1H2*        G   8  -0.844   6.693  -1.694
   91   2H2*    G   8          2H2*        G   8  -2.418   6.993  -0.817
   92   1H5*  GAO   9          1H5*       +G   9  -5.552   8.403  -1.080
   93   2H5*  GAO   9          2H5*       +G   9  -6.063   9.380   0.325
   94    H4*  GAO   9           H4*       +G   9  -6.909   6.993   0.270
   95    H3*  GAO   9           H3*       +G   9  -5.354   8.213   2.459
   96    H2*  GAO   9           H2*       +G   9  -5.913   5.539   3.291
   97   2HO*  GAO   9          2HO*       +C   9  -3.506   5.612   3.368
   98    H1*  GAO   9           H1*       +G   9  -5.766   4.519   1.277
   99    H8   GAO   9           H8        +G   9  -2.309   6.217   1.379
  100    H1   GAO   9           H1        +G   9  -2.174  -0.130   1.742
  101   1H2   GAO   9          1H2        +G   9  -4.238  -0.920   1.807
  102   2H2   GAO   9          2H2        +G   9  -5.640   0.130   1.747
  103   1H5*  UAR  10          1H5*       +U  10  -8.562   4.943   3.124
  104   2H5*  UAR  10          2H5*       +U  10  -9.449   5.228   4.637
  105    H4*  UAR  10           H4*       +U  10  -8.905   2.835   4.379
  106    H3*  UAR  10           H3*       +U  10  -7.852   4.481   6.599
  107    H2*  UAR  10           H2*       +U  10  -6.973   1.797   7.067
  108   2HO*  UAR  10          2HO*       +C  10  -6.177   3.973   7.786
  109    H1*  UAR  10           H1*       +U  10  -6.664   1.205   4.893
  110    H3   UAR  10           H3        +U  10  -2.274   0.191   4.983
  111    H5   UAR  10           H5        +U  10  -2.292   4.345   4.341
  112    H6   UAR  10           H6        +U  10  -4.701   4.311   4.617
  113   1H5*  CAR  11          1H5*       +C  11  -8.861   0.091   7.393
  114   2H5*  CAR  11          2H5*       +C  11  -9.474  -0.132   9.046
  115    H4*  CAR  11           H4*       +C  11  -7.728  -1.797   8.529
  116    H3*  CAR  11           H3*       +C  11  -7.387   0.256  10.643
  117    H2*  CAR  11           H2*       +C  11  -5.140  -1.542  10.750
  118   2HO*  CAR  11          2HO*       +C  11  -5.474   0.674  11.601
  119    H1*  CAR  11           H1*       +C  11  -4.906  -1.846   8.514
  120   1HN4  CAR  11          1H4        +C  11   0.157   1.826   7.330
  121   2HN4  CAR  11          2H4        +C  11  -0.856   3.259   7.221
  122    H5   CAR  11           H5        +C  11  -3.233   3.232   7.648
  123    H6   CAR  11           H6        +C  11  -5.143   1.826   8.251
  124   1H5*  CAR  12          1H5*       +C  12  -5.738  -3.877  11.349
  125   2H5*  CAR  12          2H5*       +C  12  -5.837  -4.368  13.053
  126    H4*  CAR  12           H4*       +C  12  -3.591  -4.810  12.177
  127    H3*  CAR  12           H3*       +C  12  -4.025  -2.747  14.286
  128    H3T  CAR  12           H3T       +C  12  -2.841  -4.300  15.457
  129    H2*  CAR  12           H2*       +C  12  -1.197  -3.242  13.925
  130   2HO*  CAR  12          2HO*       +C  12  -1.244  -0.944  13.885
  131    H1*  CAR  12           H1*       +C  12  -1.253  -3.438  11.662
  132   1HN4  CAR  12          1H4        +C  12   1.163   2.245  10.113
  133   2HN4  CAR  12          2H4        +C  12  -0.427   2.981  10.159
  134    H5   CAR  12           H5        +C  12  -2.424   1.774  10.786
  135    H6   CAR  12           H6        +C  12  -3.310  -0.385  11.533


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