NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
26715 2o32 15081 cing 1-original 4 MR format nomenclature mapping



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN1  PSU   1           HN1      PSU   1   0.268  13.119   2.335
    2    HN3  PSU   1           HN3      PSU   1   3.024  13.760  -0.603
    3    H6   PSU   1           H6       PSU   1  -1.528  13.622   0.827
    4    H1*  PSU   1           H1*      PSU   1  -1.000  15.089  -2.448
    5    H2*  PSU   1           H2*      PSU   1  -1.121  12.327  -2.612
    6   *HO2  PSU   1          *HO2      PSU   1  -2.673  14.439  -3.642
    7    H3*  PSU   1           H3*      PSU   1  -2.604  12.019  -0.740
    8    H4*  PSU   1           H4*      PSU   1  -4.366  14.227  -1.728
    9   1H5*  PSU   1          1H5*      PSU   1  -4.339  14.916   0.691
   10   2H5*  PSU   1          2H5*      PSU   1  -5.081  13.349   0.319
   11    H5T  PSU   1           H5T      PSU   1  -3.400  12.313   1.194
   12   1H5*    C   2          1H5*        C   2  -3.580  12.384  -5.118
   13   2H5*    C   2          2H5*        C   2  -4.226  10.782  -5.522
   14    H4*    C   2           H4*        C   2  -2.929  11.558  -7.357
   15    H3*    C   2           H3*        C   2  -1.786   9.249  -5.849
   16    H2*    C   2           H2*        C   2   0.222   9.298  -7.173
   17   2HO*    C   2          2HO*        C   2  -0.107  11.395  -8.760
   18    H1*    C   2           H1*        C   2   0.623  12.032  -7.049
   19   1H4     C   2          1H4         C   2   3.600  10.124  -1.797
   20   2H4     C   2          2H4         C   2   2.077   9.826  -0.992
   21    H5     C   2           H5         C   2  -0.065  10.062  -2.094
   22    H6     C   2           H6         C   2  -1.178  10.614  -4.192
   23   1H5*    U   3          1H5*        U   3  -1.060   7.893  -9.670
   24   2H5*    U   3          2H5*        U   3  -2.275   6.636  -9.972
   25    H4*    U   3           H4*        U   3  -0.413   5.608 -10.764
   26    H3*    U   3           H3*        U   3  -0.739   4.787  -7.910
   27    H2*    U   3           H2*        U   3   1.375   3.639  -7.949
   28   2HO*    U   3          2HO*        U   3   2.355   3.092  -9.825
   29    H1*    U   3           H1*        U   3   2.802   5.648  -9.216
   30    H3     U   3           H3         U   3   4.189   6.350  -5.016
   31    H5     U   3           H5         U   3   0.182   7.604  -4.943
   32    H6     U   3           H6         U   3  -0.039   6.776  -7.191
   33   1H5*    C   4          1H5*        C   4   1.546   1.300  -9.830
   34   2H5*    C   4          2H5*        C   4   0.429   0.036  -9.279
   35    H4*    C   4           H4*        C   4   2.848  -0.196  -8.595
   36    H3*    C   4           H3*        C   4   0.543  -0.449  -6.715
   37    H2*    C   4           H2*        C   4   2.014  -0.611  -4.821
   38   2HO*    C   4          2HO*        C   4   4.181  -0.606  -6.687
   39    H1*    C   4           H1*        C   4   3.691   1.474  -5.525
   40   1H4     C   4          1H4         C   4  -0.845   4.417  -2.216
   41   2H4     C   4          2H4         C   4  -1.894   4.432  -3.616
   42    H5     C   4           H5         C   4  -1.320   3.340  -5.700
   43    H6     C   4           H6         C   4   0.369   2.014  -6.858
   44    H1*  OMG   5           H1*      OMG   5   6.580  -1.902  -3.529
   45    H2*  OMG   5           H2*      OMG   5   6.164  -4.139  -1.986
   46    H3*  OMG   5           H3*      OMG   5   4.478  -5.153  -3.362
   47    H4*  OMG   5           H4*      OMG   5   6.029  -4.695  -5.858
   48   1HM2  OMG   5          1HM2      OMG   5   8.222  -3.238  -1.671
   49   2HM2  OMG   5          2HM2      OMG   5   8.693  -2.389  -3.142
   50   3HM2  OMG   5          3HM2      OMG   5   9.556  -3.844  -2.650
   51   1H5*  OMG   5          1H5*      OMG   5   4.074  -4.785  -6.879
   52   2H5*  OMG   5          2H5*      OMG   5   3.373  -5.226  -5.309
   53    H8   OMG   5           H8       OMG   5   3.055  -2.467  -4.286
   54    HN1  OMG   5           HN1      OMG   5   3.907  -0.333   1.700
   55   1HN2  OMG   5          1HN2      OMG   5   6.014  -0.487   2.275
   56   2HN2  OMG   5          2HN2      OMG   5   7.235  -1.116   1.192
   57    H1*  OMG   6           H1*      OMG   6   5.921  -3.626   2.440
   58    H2*  OMG   6           H2*      OMG   6   4.589  -6.063   2.818
   59    H3*  OMG   6           H3*      OMG   6   5.244  -7.013   0.706
   60    H4*  OMG   6           H4*      OMG   6   8.023  -5.955   1.158
   61   1HM2  OMG   6          1HM2      OMG   6   6.606  -5.394   5.558
   62   2HM2  OMG   6          2HM2      OMG   6   6.449  -3.961   4.545
   63   3HM2  OMG   6          3HM2      OMG   6   5.065  -5.026   4.783
   64   1H5*  OMG   6          1H5*      OMG   6   7.844  -5.379  -1.304
   65   2H5*  OMG   6          2H5*      OMG   6   7.911  -7.098  -0.869
   66    H8   OMG   6           H8       OMG   6   4.414  -4.753  -0.812
   67    HN1  OMG   6           HN1      OMG   6   0.297  -1.805   3.127
   68   1HN2  OMG   6          1HN2      OMG   6   1.184  -1.551   5.110
   69   2HN2  OMG   6          2HN2      OMG   6   2.799  -2.107   5.488
   70   1H5*    C   7          1H5*        C   7   6.101  -8.163   4.734
   71   2H5*    C   7          2H5*        C   7   5.627  -9.868   4.867
   72    H4*    C   7           H4*        C   7   4.560  -8.640   6.606
   73    H3*    C   7           H3*        C   7   2.706  -9.620   4.458
   74    H2*    C   7           H2*        C   7   0.857  -8.594   5.608
   75   2HO*    C   7          2HO*        C   7   2.734  -8.055   7.700
   76    H1*    C   7           H1*        C   7   2.183  -6.196   6.189
   77   1H4     C   7          1H4         C   7  -0.704  -4.857   0.721
   78   2H4     C   7          2H4         C   7   0.491  -5.768  -0.174
   79    H5     C   7           H5         C   7   2.243  -7.050   0.902
   80    H6     C   7           H6         C   7   3.191  -7.722   3.045
   81   1H5*    C   8          1H5*        C   8   1.372 -10.520   8.202
   82   2H5*    C   8          2H5*        C   8   0.885 -12.197   8.512
   83    H4*    C   8           H4*        C   8  -0.812 -10.871   9.415
   84    H3*    C   8           H3*        C   8  -1.611 -12.142   6.829
   85    H2*    C   8           H2*        C   8  -3.706 -10.965   6.848
   86   2HO*    C   8          2HO*        C   8  -2.946 -10.318   9.522
   87    H1*    C   8           H1*        C   8  -2.696  -8.500   7.632
   88   1H4     C   8          1H4         C   8  -2.408  -7.895   1.350
   89   2H4     C   8          2H4         C   8  -1.164  -9.119   1.233
   90    H5     C   8           H5         C   8  -0.356 -10.362   3.146
   91    H6     C   8           H6         C   8  -0.608 -10.713   5.546
   92    HN1  PSU   9           HN1      PSU   9  -3.403 -11.728   3.252
   93    HN3  PSU   9           HN3      PSU   9  -6.189  -9.536   1.236
   94    H6   PSU   9           H6       PSU   9  -4.809 -11.826   5.190
   95    H1*  PSU   9           H1*      PSU   9  -7.949  -9.930   5.447
   96    H2*  PSU   9           H2*      PSU   9  -8.029 -12.647   4.661
   97   *HO2  PSU   9          *HO2      PSU   9  -9.413 -10.896   6.161
   98    H3*  PSU   9           H3*      PSU   9  -6.296 -13.327   6.196
   99    H4*  PSU   9           H4*      PSU   9  -7.604 -11.549   8.249
  100   1H5*  PSU   9          1H5*      PSU   9  -5.151 -11.045   8.800
  101   2H5*  PSU   9          2H5*      PSU   9  -5.827 -12.617   9.267
  102   1H5*    U  10          1H5*        U  10 -10.246 -15.788   4.421
  103   2H5*    U  10          2H5*        U  10  -9.483 -14.478   3.497
  104    H4*    U  10           H4*        U  10 -12.029 -14.816   3.345
  105    H3*    U  10           H3*        U  10 -10.631 -12.658   2.673
  106    H2*    U  10           H2*        U  10 -10.478 -11.659   4.875
  107   2HO*    U  10          2HO*        U  10 -11.699 -10.269   3.318
  108    H1*    U  10           H1*        U  10 -13.445 -12.291   5.326
  109    H3     U  10           H3         U  10 -12.558  -9.968   9.156
  110    H5     U  10           H5         U  10 -10.423 -13.569   9.490
  111    H6     U  10           H6         U  10 -10.963 -14.014   7.188
  112   1H5*    U  11          1H5*        U  11  -9.754  -9.649   1.577
  113   2H5*    U  11          2H5*        U  11 -11.404  -9.078   1.268
  114    H4*    U  11           H4*        U  11 -10.631  -8.523  -0.737
  115    H3*    U  11           H3*        U  11 -11.918 -10.774  -1.195
  116    H2*    U  11           H2*        U  11 -10.143 -12.331  -0.681
  117   2HO*    U  11          2HO*        U  11 -10.802 -12.188  -3.143
  118    H1*    U  11           H1*        U  11  -8.132 -10.681  -2.277
  119    H3     U  11           H3         U  11  -4.721 -13.085  -0.760
  120    H5     U  11           H5         U  11  -7.279 -12.948   2.569
  121    H6     U  11           H6         U  11  -8.832 -11.693   1.228
  122   1H5*    U  12          1H5*        U  12  -9.298  -8.121  -3.389
  123   2H5*    U  12          2H5*        U  12  -8.917  -7.566  -1.748
  124    H4*    U  12           H4*        U  12  -9.713  -5.260  -2.609
  125    H3*    U  12           H3*        U  12 -10.396  -6.285  -4.928
  126    H2*    U  12           H2*        U  12  -8.386  -7.424  -5.545
  127   2HO*    U  12          2HO*        U  12  -7.267  -5.016  -6.334
  128    H1*    U  12           H1*        U  12  -6.542  -5.216  -4.616
  129    H3     U  12           H3         U  12  -3.996  -8.892  -5.872
  130    H5     U  12           H5         U  12  -5.261  -9.494  -1.912
  131    H6     U  12           H6         U  12  -6.761  -7.632  -2.190
  132    H1*  OMG  13           H1*      OMG  13  -9.403  -4.740   1.881
  133    H2*  OMG  13           H2*      OMG  13  -7.936  -2.393   1.626
  134    H3*  OMG  13           H3*      OMG  13  -8.540  -1.984  -0.672
  135    H4*  OMG  13           H4*      OMG  13 -11.407  -2.562  -0.010
  136   1HM2  OMG  13          1HM2      OMG  13 -10.367  -3.878   3.661
  137   2HM2  OMG  13          2HM2      OMG  13  -9.988  -2.341   4.433
  138   3HM2  OMG  13          3HM2      OMG  13  -8.697  -3.320   3.738
  139   1H5*  OMG  13          1H5*      OMG  13 -11.571  -3.545  -2.171
  140   2H5*  OMG  13          2H5*      OMG  13 -10.743  -1.982  -2.324
  141    H8   OMG  13           H8       OMG  13  -8.000  -4.295  -1.625
  142    HN1  OMG  13           HN1      OMG  13  -4.100  -7.198   2.554
  143   1HN2  OMG  13          1HN2      OMG  13  -4.907  -7.071   4.575
  144   2HN2  OMG  13          2HN2      OMG  13  -6.426  -6.273   4.923
  145   1H5*    G  14          1H5*        G  14  -9.867   0.157   2.739
  146   2H5*    G  14          2H5*        G  14  -9.215   1.804   2.847
  147    H4*    G  14           H4*        G  14  -8.886   0.556   4.912
  148    H3*    G  14           H3*        G  14  -6.424   1.423   3.420
  149    H2*    G  14           H2*        G  14  -5.075   0.417   5.139
  150   2HO*    G  14          2HO*        G  14  -5.873  -0.019   7.119
  151    H1*    G  14           H1*        G  14  -6.631  -1.911   5.377
  152    H8     G  14           H8         G  14  -6.353  -0.885   1.771
  153    H1     G  14           H1         G  14  -1.353  -4.267   3.942
  154   1H2     G  14          1H2         G  14  -1.451  -4.464   6.121
  155   2H2     G  14          2H2         G  14  -2.750  -3.768   7.064
  156   1H5*    C  15          1H5*        C  15  -5.477   1.739   7.153
  157   2H5*    C  15          2H5*        C  15  -5.510   3.455   7.605
  158    H4*    C  15           H4*        C  15  -3.637   2.819   8.695
  159    H3*    C  15           H3*        C  15  -2.749   3.731   5.985
  160    H2*    C  15           H2*        C  15  -0.496   3.033   6.467
  161   2HO*    C  15          2HO*        C  15  -0.203   3.583   8.586
  162    H1*    C  15           H1*        C  15  -1.162   0.567   7.538
  163   1H4     C  15          1H4         C  15  -0.599  -0.862   1.396
  164   2H4     C  15          2H4         C  15  -2.077  -0.011   1.014
  165    H5     C  15           H5         C  15  -3.351   1.226   2.663
  166    H6     C  15           H6         C  15  -3.457   1.900   5.004
  167   1H5*    U  16          1H5*        U  16   1.692   5.965   6.781
  168   2H5*    U  16          2H5*        U  16   0.616   5.165   5.620
  169    H4*    U  16           H4*        U  16   2.065   3.670   7.789
  170    H3*    U  16           H3*        U  16   3.170   4.501   5.131
  171    H2*    U  16           H2*        U  16   4.089   2.298   4.813
  172   2HO*    U  16          2HO*        U  16   3.592   0.768   6.693
  173    H1*    U  16           H1*        U  16   1.822   0.912   5.642
  174    H3     U  16           H3         U  16   2.820   1.425   0.988
  175    H5     U  16           H5         U  16  -0.831   3.253   1.990
  176    H6     U  16           H6         U  16  -0.222   3.017   4.304
  177   1H5*    A  17          1H5*        A  17   5.879   2.990   5.865
  178   2H5*    A  17          2H5*        A  17   7.191   2.944   7.059
  179    H4*    A  17           H4*        A  17   8.764   2.858   5.507
  180    H3*    A  17           H3*        A  17   7.346   5.126   4.149
  181    H2*    A  17           H2*        A  17   8.455   4.572   2.082
  182   2HO*    A  17          2HO*        A  17   9.847   2.463   3.369
  183    H1*    A  17           H1*        A  17   8.035   1.822   2.263
  184    H8     A  17           H8         A  17   5.136   3.853   3.664
  185   1H6     A  17          1H6         A  17   2.744   3.591  -2.041
  186   2H6     A  17          2H6         A  17   2.449   4.061  -0.382
  187    H2     A  17           H2         A  17   6.898   1.909  -2.194
  188   1H5*    A  18          1H5*        A  18  11.166   4.581   2.844
  189   2H5*    A  18          2H5*        A  18  12.085   6.096   2.748
  190    H4*    A  18           H4*        A  18  12.245   4.851   0.681
  191    H3*    A  18           H3*        A  18  10.834   7.498   0.558
  192    H2*    A  18           H2*        A  18  10.455   7.161  -1.798
  193   2HO*    A  18          2HO*        A  18  11.654   5.778  -2.948
  194    H1*    A  18           H1*        A  18   9.643   4.500  -1.568
  195    H8     A  18           H8         A  18   8.498   6.666   1.347
  196   1H6     A  18          1H6         A  18   3.384   7.713  -1.982
  197   2H6     A  18          2H6         A  18   4.165   7.958  -0.436
  198    H2     A  18           H2         A  18   6.264   5.417  -4.540
  199    H1*  OMG  19           H1*      OMG  19  10.280   9.149  -5.138
  200    H2*  OMG  19           H2*      OMG  19  10.495  11.847  -4.407
  201    H3*  OMG  19           H3*      OMG  19  12.081  11.495  -2.634
  202    H4*  OMG  19           H4*      OMG  19  13.586   9.575  -4.383
  203   1HM2  OMG  19          1HM2      OMG  19  10.938  11.408  -7.809
  204   2HM2  OMG  19          2HM2      OMG  19  10.661   9.777  -7.205
  205   3HM2  OMG  19          3HM2      OMG  19   9.724  11.124  -6.564
  206   1H5*  OMG  19          1H5*      OMG  19  13.942   8.275  -2.375
  207   2H5*  OMG  19          2H5*      OMG  19  14.438   9.963  -2.135
  208    H8   OMG  19           H8       OMG  19  10.547   9.317  -1.415
  209    HN1  OMG  19           HN1      OMG  19   4.664  10.552  -3.654
  210   1HN2  OMG  19          1HN2      OMG  19   4.716  10.841  -5.821
  211   2HN2  OMG  19          2HN2      OMG  19   6.199  10.731  -6.744
  212   1H5*    A  20          1H5*        A  20  11.697  13.090  -6.613
  213   2H5*    A  20          2H5*        A  20  12.254  14.761  -6.398
  214    H4*    A  20           H4*        A  20  10.009  14.556  -7.427
  215    H3*    A  20           H3*        A  20  10.383  16.130  -4.901
  216    H2*    A  20           H2*        A  20   8.045  16.515  -4.748
  217   2HO*    A  20          2HO*        A  20   7.415  15.475  -7.257
  218    H1*    A  20           H1*        A  20   7.227  14.045  -5.981
  219    H8     A  20           H8         A  20   9.602  13.817  -3.023
  220   1H6     A  20          1H6         A  20   4.527  13.284   0.484
  221   2H6     A  20          2H6         A  20   6.275  13.204   0.467
  222    H2     A  20           H2         A  20   3.233  14.267  -3.694
  223    H3T    A  20           H3T        A  20   9.418  17.302  -7.114
  Start of MODEL    2
    1    HN1  PSU   1           HN1      PSU   1   1.585  13.431   1.969
    2    HN3  PSU   1           HN3      PSU   1   4.366  14.389  -0.859
    3    H6   PSU   1           H6       PSU   1  -0.194  14.158   0.536
    4    H1*  PSU   1           H1*      PSU   1   0.418  15.881  -2.650
    5    H2*  PSU   1           H2*      PSU   1  -0.050  13.115  -2.709
    6   *HO2  PSU   1          *HO2      PSU   1  -0.291  14.863  -4.361
    7    H3*  PSU   1           H3*      PSU   1  -1.697  13.092  -0.968
    8    H4*  PSU   1           H4*      PSU   1  -2.915  15.595  -2.087
    9   1H5*  PSU   1          1H5*      PSU   1  -2.952  16.250   0.371
   10   2H5*  PSU   1          2H5*      PSU   1  -4.027  14.945  -0.160
   11    H5T  PSU   1           H5T      PSU   1  -2.595  13.449   0.675
   12   1H5*    C   2          1H5*        C   2  -2.673  13.509  -5.494
   13   2H5*    C   2          2H5*        C   2  -3.231  11.890  -5.956
   14    H4*    C   2           H4*        C   2  -1.758  12.851  -7.634
   15    H3*    C   2           H3*        C   2  -0.940  10.324  -6.274
   16    H2*    C   2           H2*        C   2   1.197  10.340  -7.369
   17   2HO*    C   2          2HO*        C   2   0.968  11.026  -9.398
   18    H1*    C   2           H1*        C   2   1.757  13.028  -6.985
   19   1H4     C   2          1H4         C   2   4.174  10.586  -1.676
   20   2H4     C   2          2H4         C   2   2.577  10.239  -1.055
   21    H5     C   2           H5         C   2   0.556  10.620  -2.325
   22    H6     C   2           H6         C   2  -0.345  11.385  -4.455
   23   1H5*    U   3          1H5*        U   3   0.299   9.558 -10.179
   24   2H5*    U   3          2H5*        U   3  -0.906   8.407 -10.789
   25    H4*    U   3           H4*        U   3   0.983   7.423 -11.550
   26    H3*    U   3           H3*        U   3   0.371   6.227  -8.890
   27    H2*    U   3           H2*        U   3   2.477   5.075  -8.823
   28   2HO*    U   3          2HO*        U   3   2.204   5.035 -11.414
   29    H1*    U   3           H1*        U   3   4.054   7.180  -9.653
   30    H3     U   3           H3         U   3   4.903   7.451  -5.271
   31    H5     U   3           H5         U   3   0.882   8.629  -5.544
   32    H6     U   3           H6         U   3   0.959   8.079  -7.884
   33   1H5*    C   4          1H5*        C   4   3.027   3.271 -10.400
   34   2H5*    C   4          2H5*        C   4   2.105   1.789 -10.079
   35    H4*    C   4           H4*        C   4   4.312   2.161  -8.834
   36    H3*    C   4           H3*        C   4   1.770   1.189  -7.587
   37    H2*    C   4           H2*        C   4   2.795   1.224  -5.410
   38   2HO*    C   4          2HO*        C   4   5.142   1.416  -6.972
   39    H1*    C   4           H1*        C   4   4.006   3.709  -5.679
   40   1H4     C   4          1H4         C   4  -1.698   5.004  -3.193
   41   2H4     C   4          2H4         C   4  -2.358   5.167  -4.804
   42    H5     C   4           H5         C   4  -1.090   4.657  -6.805
   43    H6     C   4           H6         C   4   1.057   3.877  -7.658
   44    H1*  OMG   5           H1*      OMG   5   7.311  -0.229  -2.748
   45    H2*  OMG   5           H2*      OMG   5   6.555  -2.810  -2.113
   46    H3*  OMG   5           H3*      OMG   5   5.509  -3.305  -4.227
   47    H4*  OMG   5           H4*      OMG   5   7.856  -2.182  -5.701
   48   1HM2  OMG   5          1HM2      OMG   5  10.021  -1.923  -1.653
   49   2HM2  OMG   5          2HM2      OMG   5   8.950  -3.181  -1.038
   50   3HM2  OMG   5          3HM2      OMG   5   8.413  -1.503  -1.066
   51   1H5*  OMG   5          1H5*      OMG   5   6.469  -1.745  -7.407
   52   2H5*  OMG   5          2H5*      OMG   5   5.475  -2.979  -6.607
   53    H8   OMG   5           H8       OMG   5   4.288  -0.205  -4.677
   54    HN1  OMG   5           HN1      OMG   5   2.987  -0.495   1.598
   55   1HN2  OMG   5          1HN2      OMG   5   4.780  -1.049   2.725
   56   2HN2  OMG   5          2HN2      OMG   5   6.317  -1.355   1.948
   57    H1*  OMG   6           H1*      OMG   6   6.030  -3.240   1.379
   58    H2*  OMG   6           H2*      OMG   6   4.593  -5.615   1.833
   59    H3*  OMG   6           H3*      OMG   6   5.305  -6.701  -0.192
   60    H4*  OMG   6           H4*      OMG   6   8.084  -5.661   0.305
   61   1HM2  OMG   6          1HM2      OMG   6   5.006  -4.540   3.778
   62   2HM2  OMG   6          2HM2      OMG   6   6.521  -4.864   4.618
   63   3HM2  OMG   6          3HM2      OMG   6   6.392  -3.481   3.535
   64   1H5*  OMG   6          1H5*      OMG   6   8.404  -5.608  -1.999
   65   2H5*  OMG   6          2H5*      OMG   6   7.499  -7.105  -1.701
   66    H8   OMG   6           H8       OMG   6   4.722  -4.003  -1.944
   67    HN1  OMG   6           HN1      OMG   6   0.147  -1.959   2.062
   68   1HN2  OMG   6          1HN2      OMG   6   0.863  -2.003   4.128
   69   2HN2  OMG   6          2HN2      OMG   6   2.476  -2.537   4.545
   70   1H5*    C   7          1H5*        C   7   6.283  -8.404   3.734
   71   2H5*    C   7          2H5*        C   7   5.547 -10.017   3.816
   72    H4*    C   7           H4*        C   7   4.802  -8.571   5.632
   73    H3*    C   7           H3*        C   7   2.731  -9.554   3.691
   74    H2*    C   7           H2*        C   7   1.046  -8.337   4.908
   75   2HO*    C   7          2HO*        C   7   3.108  -8.197   6.854
   76    H1*    C   7           H1*        C   7   2.553  -6.006   5.227
   77   1H4     C   7          1H4         C   7  -0.851  -5.081  -0.056
   78   2H4     C   7          2H4         C   7   0.407  -5.845  -1.003
   79    H5     C   7           H5         C   7   2.341  -6.909  -0.005
   80    H6     C   7           H6         C   7   3.448  -7.467   2.095
   81   1H5*    C   8          1H5*        C   8   1.587 -10.279   7.698
   82   2H5*    C   8          2H5*        C   8   1.173 -11.985   7.961
   83    H4*    C   8           H4*        C   8  -0.411 -10.572   9.082
   84    H3*    C   8           H3*        C   8  -1.419 -12.238   6.823
   85    H2*    C   8           H2*        C   8  -3.595 -11.218   6.944
   86   2HO*    C   8          2HO*        C   8  -3.215  -9.369   8.861
   87    H1*    C   8           H1*        C   8  -2.730  -8.611   7.091
   88   1H4     C   8          1H4         C   8  -2.980  -9.820   0.847
   89   2H4     C   8          2H4         C   8  -1.286 -10.251   0.878
   90    H5     C   8           H5         C   8  -0.007 -10.417   2.926
   91    H6     C   8           H6         C   8  -0.083 -10.164   5.350
   92    HN1  PSU   9           HN1      PSU   9  -2.988 -12.551   3.165
   93    HN3  PSU   9           HN3      PSU   9  -5.855 -10.587   1.025
   94    H6   PSU   9           H6       PSU   9  -4.252 -12.297   5.185
   95    H1*  PSU   9           H1*      PSU   9  -7.210 -10.183   5.408
   96    H2*  PSU   9           H2*      PSU   9  -7.584 -12.993   4.896
   97   *HO2  PSU   9          *HO2      PSU   9  -9.494 -12.350   5.594
   98    H3*  PSU   9           H3*      PSU   9  -6.173 -13.710   6.685
   99    H4*  PSU   9           H4*      PSU   9  -7.083 -11.312   8.266
  100   1H5*  PSU   9          1H5*      PSU   9  -4.752 -11.212   9.047
  101   2H5*  PSU   9          2H5*      PSU   9  -5.560 -12.739   9.447
  102   1H5*    U  10          1H5*        U  10  -9.536 -11.830   8.075
  103   2H5*    U  10          2H5*        U  10 -10.712 -12.878   8.892
  104    H4*    U  10           H4*        U  10 -12.503 -11.924   7.882
  105    H3*    U  10           H3*        U  10 -11.398 -12.197   5.467
  106    H2*    U  10           H2*        U  10  -9.805 -10.381   5.631
  107   2HO*    U  10          2HO*        U  10 -10.579  -8.938   4.205
  108    H1*    U  10           H1*        U  10 -12.005  -8.653   6.897
  109    H3     U  10           H3         U  10  -9.343  -5.253   7.918
  110    H5     U  10           H5         U  10  -6.684  -8.504   7.947
  111    H6     U  10           H6         U  10  -8.539  -9.927   7.374
  112   1H5*    U  11          1H5*        U  11 -10.510 -10.507   2.486
  113   2H5*    U  11          2H5*        U  11 -12.000  -9.560   2.301
  114    H4*    U  11           H4*        U  11 -11.490 -10.453   0.184
  115    H3*    U  11           H3*        U  11 -13.951 -10.835   1.069
  116    H2*    U  11           H2*        U  11 -13.597 -12.914   2.250
  117   2HO*    U  11          2HO*        U  11 -15.177 -13.227   0.513
  118    H1*    U  11           H1*        U  11 -11.953 -14.004  -0.086
  119    H3     U  11           H3         U  11 -10.454 -17.513   2.178
  120    H5     U  11           H5         U  11 -11.093 -14.691   5.223
  121    H6     U  11           H6         U  11 -11.825 -13.146   3.530
  122   1H5*    U  12          1H5*        U  12 -11.710  -9.691  -3.669
  123   2H5*    U  12          2H5*        U  12 -10.556 -10.864  -3.002
  124    H4*    U  12           H4*        U  12 -10.443  -7.870  -2.662
  125    H3*    U  12           H3*        U  12  -9.729  -8.947  -4.982
  126    H2*    U  12           H2*        U  12  -8.305 -10.704  -4.110
  127   2HO*    U  12          2HO*        U  12  -6.287  -8.792  -3.961
  128    H1*    U  12           H1*        U  12  -7.061  -8.684  -2.168
  129    H3     U  12           H3         U  12  -4.684 -12.700  -1.756
  130    H5     U  12           H5         U  12  -8.083 -12.884   0.704
  131    H6     U  12           H6         U  12  -8.900 -10.912  -0.408
  132    H1*  OMG  13           H1*      OMG  13 -10.259  -6.619   1.528
  133    H2*  OMG  13           H2*      OMG  13  -8.883  -4.233   1.322
  134    H3*  OMG  13           H3*      OMG  13  -9.282  -3.888  -1.026
  135    H4*  OMG  13           H4*      OMG  13 -12.178  -4.544  -0.696
  136   1HM2  OMG  13          1HM2      OMG  13 -11.405  -5.742   3.183
  137   2HM2  OMG  13          2HM2      OMG  13 -11.182  -4.161   3.929
  138   3HM2  OMG  13          3HM2      OMG  13  -9.782  -5.087   3.389
  139   1H5*  OMG  13          1H5*      OMG  13 -12.028  -5.671  -2.785
  140   2H5*  OMG  13          2H5*      OMG  13 -11.211  -4.101  -2.929
  141    H8   OMG  13           H8       OMG  13  -8.837  -6.524  -1.937
  142    HN1  OMG  13           HN1      OMG  13  -4.669  -8.323   2.588
  143   1HN2  OMG  13          1HN2      OMG  13  -5.479  -7.940   4.575
  144   2HN2  OMG  13          2HN2      OMG  13  -7.064  -7.237   4.815
  145   1H5*    G  14          1H5*        G  14 -10.703  -1.878   2.170
  146   2H5*    G  14          2H5*        G  14 -10.194  -0.187   2.338
  147    H4*    G  14           H4*        G  14  -9.703  -1.488   4.336
  148    H3*    G  14           H3*        G  14  -7.383  -0.320   2.831
  149    H2*    G  14           H2*        G  14  -5.875  -1.297   4.430
  150   2HO*    G  14          2HO*        G  14  -8.069  -1.119   6.006
  151    H1*    G  14           H1*        G  14  -7.166  -3.779   4.558
  152    H8     G  14           H8         G  14  -7.341  -2.702   1.006
  153    H1     G  14           H1         G  14  -1.612  -5.055   2.676
  154   1H2     G  14          1H2         G  14  -1.471  -5.248   4.855
  155   2H2     G  14          2H2         G  14  -2.785  -4.801   5.919
  156   1H5*    C  15          1H5*        C  15  -6.456  -0.244   6.564
  157   2H5*    C  15          2H5*        C  15  -6.749   1.389   7.193
  158    H4*    C  15           H4*        C  15  -4.885   0.856   8.357
  159    H3*    C  15           H3*        C  15  -3.966   2.240   5.868
  160    H2*    C  15           H2*        C  15  -1.666   1.766   6.422
  161   2HO*    C  15          2HO*        C  15  -1.652   0.300   8.538
  162    H1*    C  15           H1*        C  15  -2.037  -0.898   6.989
  163   1H4     C  15          1H4         C  15  -1.313  -1.111   0.697
  164   2H4     C  15          2H4         C  15  -2.918  -0.464   0.450
  165    H5     C  15           H5         C  15  -4.350   0.244   2.268
  166    H6     C  15           H6         C  15  -4.530   0.478   4.688
  167   1H5*    U  16          1H5*        U  16  -0.096   4.508   8.146
  168   2H5*    U  16          2H5*        U  16   0.109   4.633   6.387
  169    H4*    U  16           H4*        U  16   0.662   2.375   8.230
  170    H3*    U  16           H3*        U  16   2.112   3.691   5.971
  171    H2*    U  16           H2*        U  16   3.096   1.593   5.323
  172   2HO*    U  16          2HO*        U  16   2.999  -0.202   6.653
  173    H1*    U  16           H1*        U  16   0.777   0.078   5.530
  174    H3     U  16           H3         U  16   2.244   1.534   1.232
  175    H5     U  16           H5         U  16  -1.450   3.272   2.235
  176    H6     U  16           H6         U  16  -1.094   2.533   4.492
  177   1H5*    A  17          1H5*        A  17   5.979   4.636   6.481
  178   2H5*    A  17          2H5*        A  17   4.920   4.757   5.064
  179    H4*    A  17           H4*        A  17   7.524   3.342   5.394
  180    H3*    A  17           H3*        A  17   6.463   5.410   3.537
  181    H2*    A  17           H2*        A  17   7.551   4.421   1.638
  182   2HO*    A  17          2HO*        A  17   9.072   3.268   3.657
  183    H1*    A  17           H1*        A  17   6.836   1.809   2.146
  184    H8     A  17           H8         A  17   3.833   3.260   3.505
  185   1H6     A  17          1H6         A  17   1.897   4.563  -2.230
  186   2H6     A  17          2H6         A  17   1.423   4.433  -0.551
  187    H2     A  17           H2         A  17   6.257   3.540  -2.433
  188   1H5*    A  18          1H5*        A  18  11.338   5.088   2.944
  189   2H5*    A  18          2H5*        A  18  11.532   6.851   2.941
  190    H4*    A  18           H4*        A  18  12.731   5.626   1.122
  191    H3*    A  18           H3*        A  18  10.895   7.921   0.577
  192    H2*    A  18           H2*        A  18  11.154   7.620  -1.800
  193   2HO*    A  18          2HO*        A  18  13.501   6.712  -1.148
  194    H1*    A  18           H1*        A  18  10.777   4.883  -1.806
  195    H8     A  18           H8         A  18   8.694   6.191   1.019
  196   1H6     A  18          1H6         A  18   4.271   7.326  -3.160
  197   2H6     A  18          2H6         A  18   4.644   7.241  -1.453
  198    H2     A  18           H2         A  18   8.045   6.330  -5.366
  199    H1*  OMG  19           H1*      OMG  19  10.943   9.712  -4.823
  200    H2*  OMG  19           H2*      OMG  19  10.914  12.417  -4.247
  201    H3*  OMG  19           H3*      OMG  19  12.234  12.266  -2.236
  202    H4*  OMG  19           H4*      OMG  19  14.224  10.516  -3.628
  203   1HM2  OMG  19          1HM2      OMG  19  10.553  11.814  -6.463
  204   2HM2  OMG  19          2HM2      OMG  19  11.955  11.916  -7.525
  205   3HM2  OMG  19          3HM2      OMG  19  11.469  10.361  -6.856
  206   1H5*  OMG  19          1H5*      OMG  19  14.311   9.257  -1.569
  207   2H5*  OMG  19          2H5*      OMG  19  14.540  10.988  -1.259
  208    H8   OMG  19           H8       OMG  19  11.037   9.702  -1.139
  209    HN1  OMG  19           HN1      OMG  19   5.246  11.168  -3.475
  210   1HN2  OMG  19          1HN2      OMG  19   5.373  11.615  -5.614
  211   2HN2  OMG  19          2HN2      OMG  19   6.885  11.560  -6.492
  212   1H5*    A  20          1H5*        A  20  13.551  15.415  -5.366
  213   2H5*    A  20          2H5*        A  20  13.535  16.836  -4.304
  214    H4*    A  20           H4*        A  20  12.056  16.977  -6.310
  215    H3*    A  20           H3*        A  20  10.977  17.405  -3.546
  216    H2*    A  20           H2*        A  20   8.778  17.767  -4.483
  217   2HO*    A  20          2HO*        A  20   9.240  18.838  -6.395
  218    H1*    A  20           H1*        A  20   8.811  15.492  -6.035
  219    H8     A  20           H8         A  20  10.972  14.674  -3.098
  220   1H6     A  20          1H6         A  20   5.780  13.357   0.012
  221   2H6     A  20          2H6         A  20   7.527  13.266   0.031
  222    H2     A  20           H2         A  20   4.630  15.331  -3.848
  223    H3T    A  20           H3T        A  20  11.430  19.344  -3.983
  Start of MODEL    3
    1    HN1  PSU   1           HN1      PSU   1   0.682  15.399   0.100
    2    HN3  PSU   1           HN3      PSU   1   3.950  15.748  -2.316
    3    H6   PSU   1           H6       PSU   1  -0.792  15.741  -1.758
    4    H1*  PSU   1           H1*      PSU   1   0.378  16.871  -5.013
    5    H2*  PSU   1           H2*      PSU   1   0.170  14.109  -4.875
    6   *HO2  PSU   1          *HO2      PSU   1  -1.397  15.960  -6.391
    7    H3*  PSU   1           H3*      PSU   1  -1.662  14.051  -3.319
    8    H4*  PSU   1           H4*      PSU   1  -3.091  16.187  -4.846
    9   1H5*  PSU   1          1H5*      PSU   1  -3.490  17.138  -2.558
   10   2H5*  PSU   1          2H5*      PSU   1  -4.210  15.553  -2.889
   11    H5T  PSU   1           H5T      PSU   1  -3.051  15.803  -0.833
   12   1H5*    C   2          1H5*        C   2  -1.764  14.031  -7.812
   13   2H5*    C   2          2H5*        C   2  -2.386  12.416  -8.204
   14    H4*    C   2           H4*        C   2  -0.721  13.012  -9.801
   15    H3*    C   2           H3*        C   2  -0.046  10.775  -7.951
   16    H2*    C   2           H2*        C   2   2.205  10.650  -8.774
   17   2HO*    C   2          2HO*        C   2   1.221  12.410 -10.795
   18    H1*    C   2           H1*        C   2   2.723  13.368  -8.791
   19   1H4     C   2          1H4         C   2   4.412  11.909  -2.871
   20   2H4     C   2          2H4         C   2   2.745  11.665  -2.407
   21    H5     C   2           H5         C   2   0.905  11.810  -3.970
   22    H6     C   2           H6         C   2   0.294  12.180  -6.301
   23   1H5*    U   3          1H5*        U   3   1.812   9.694 -11.258
   24   2H5*    U   3          2H5*        U   3   0.737   8.560 -12.101
   25    H4*    U   3           H4*        U   3   2.722   7.567 -12.516
   26    H3*    U   3           H3*        U   3   1.634   6.360 -10.020
   27    H2*    U   3           H2*        U   3   3.683   5.213  -9.553
   28   2HO*    U   3          2HO*        U   3   5.417   5.570 -11.289
   29    H1*    U   3           H1*        U   3   5.421   7.283 -10.188
   30    H3     U   3           H3         U   3   5.773   7.692  -5.765
   31    H5     U   3           H5         U   3   1.755   8.677  -6.479
   32    H6     U   3           H6         U   3   2.100   8.094  -8.787
   33   1H5*    C   4          1H5*        C   4   2.590   1.547 -10.517
   34   2H5*    C   4          2H5*        C   4   1.486   2.257  -9.324
   35    H4*    C   4           H4*        C   4   4.276   1.417  -9.066
   36    H3*    C   4           H3*        C   4   1.927   1.668  -7.209
   37    H2*    C   4           H2*        C   4   3.438   1.812  -5.352
   38   2HO*    C   4          2HO*        C   4   5.607   1.257  -5.565
   39    H1*    C   4           H1*        C   4   5.324   3.466  -6.640
   40   1H4     C   4          1H4         C   4   1.677   7.302  -3.103
   41   2H4     C   4          2H4         C   4   0.655   7.577  -4.495
   42    H5     C   4           H5         C   4   0.919   6.370  -6.579
   43    H6     C   4           H6         C   4   2.211   4.659  -7.742
   44    H1*  OMG   5           H1*      OMG   5   6.688  -0.363  -2.551
   45    H2*  OMG   5           H2*      OMG   5   5.870  -2.958  -2.145
   46    H3*  OMG   5           H3*      OMG   5   4.633  -3.195  -4.193
   47    H4*  OMG   5           H4*      OMG   5   6.853  -2.028  -5.802
   48   1HM2  OMG   5          1HM2      OMG   5   9.372  -2.206  -1.870
   49   2HM2  OMG   5          2HM2      OMG   5   8.369  -3.556  -1.343
   50   3HM2  OMG   5          3HM2      OMG   5   7.812  -1.900  -1.107
   51   1H5*  OMG   5          1H5*      OMG   5   5.022  -0.681  -6.837
   52   2H5*  OMG   5          2H5*      OMG   5   4.870  -2.442  -7.008
   53    H8   OMG   5           H8       OMG   5   3.546  -0.113  -4.322
   54    HN1  OMG   5           HN1      OMG   5   2.620  -0.771   1.990
   55   1HN2  OMG   5          1HN2      OMG   5   4.468  -1.417   2.971
   56   2HN2  OMG   5          2HN2      OMG   5   5.950  -1.698   2.082
   57    H1*  OMG   6           H1*      OMG   6   5.590  -3.505   1.324
   58    H2*  OMG   6           H2*      OMG   6   4.198  -5.925   1.694
   59    H3*  OMG   6           H3*      OMG   6   4.747  -6.830  -0.466
   60    H4*  OMG   6           H4*      OMG   6   7.550  -5.792  -0.101
   61   1HM2  OMG   6          1HM2      OMG   6   4.778  -4.935   3.662
   62   2HM2  OMG   6          2HM2      OMG   6   6.333  -5.372   4.367
   63   3HM2  OMG   6          3HM2      OMG   6   6.184  -3.906   3.401
   64   1H5*  OMG   6          1H5*      OMG   6   7.655  -5.497  -2.430
   65   2H5*  OMG   6          2H5*      OMG   6   6.905  -7.082  -2.157
   66    H8   OMG   6           H8       OMG   6   3.968  -4.038  -1.917
   67    HN1  OMG   6           HN1      OMG   6  -0.176  -2.258   2.645
   68   1HN2  OMG   6          1HN2      OMG   6   0.739  -2.436   4.620
   69   2HN2  OMG   6          2HN2      OMG   6   2.382  -2.997   4.843
   70   1H5*    C   7          1H5*        C   7   6.015  -8.849   3.228
   71   2H5*    C   7          2H5*        C   7   5.284 -10.465   3.211
   72    H4*    C   7           H4*        C   7   4.662  -9.194   5.197
   73    H3*    C   7           H3*        C   7   2.462  -9.994   3.312
   74    H2*    C   7           H2*        C   7   0.869  -8.905   4.751
   75   2HO*    C   7          2HO*        C   7   2.360  -7.863   6.681
   76    H1*    C   7           H1*        C   7   2.417  -6.617   5.203
   77   1H4     C   7          1H4         C   7  -1.352  -5.111   0.322
   78   2H4     C   7          2H4         C   7  -0.196  -5.803  -0.793
   79    H5     C   7           H5         C   7   1.784  -6.995  -0.063
   80    H6     C   7           H6         C   7   3.036  -7.779   1.878
   81   1H5*    C   8          1H5*        C   8   1.682 -11.372   7.444
   82   2H5*    C   8          2H5*        C   8   1.094 -13.045   7.370
   83    H4*    C   8           H4*        C   8  -0.209 -11.638   8.897
   84    H3*    C   8           H3*        C   8  -1.542 -13.000   6.600
   85    H2*    C   8           H2*        C   8  -3.631 -11.907   7.075
   86   2HO*    C   8          2HO*        C   8  -3.438 -10.347   9.021
   87    H1*    C   8           H1*        C   8  -2.604  -9.373   7.432
   88   1H4     C   8          1H4         C   8  -3.702  -9.797   1.173
   89   2H4     C   8          2H4         C   8  -2.028 -10.244   0.932
   90    H5     C   8           H5         C   8  -0.507 -10.685   2.763
   91    H6     C   8           H6         C   8  -0.269 -10.733   5.190
   92    HN1  PSU   9           HN1      PSU   9  -3.473 -12.978   3.477
   93    HN3  PSU   9           HN3      PSU   9  -6.444 -10.881   1.627
   94    H6   PSU   9           H6       PSU   9  -4.705 -13.005   5.533
   95    H1*  PSU   9           H1*      PSU   9  -7.839 -11.123   5.976
   96    H2*  PSU   9           H2*      PSU   9  -7.920 -13.873   5.333
   97   *HO2  PSU   9          *HO2      PSU   9  -9.215 -12.089   6.863
   98    H3*  PSU   9           H3*      PSU   9  -6.031 -14.440   6.722
   99    H4*  PSU   9           H4*      PSU   9  -7.183 -12.612   8.822
  100   1H5*  PSU   9          1H5*      PSU   9  -4.715 -12.015   9.116
  101   2H5*  PSU   9          2H5*      PSU   9  -5.272 -13.602   9.679
  102   1H5*    U  10          1H5*        U  10 -10.164 -16.628   5.292
  103   2H5*    U  10          2H5*        U  10  -9.832 -14.925   4.926
  104    H4*    U  10           H4*        U  10 -12.291 -15.998   5.024
  105    H3*    U  10           H3*        U  10 -11.502 -13.523   4.461
  106    H2*    U  10           H2*        U  10 -11.064 -12.787   6.727
  107   2HO*    U  10          2HO*        U  10 -12.465 -11.197   6.412
  108    H1*    U  10           H1*        U  10 -13.685 -14.100   7.624
  109    H3     U  10           H3         U  10 -12.862 -12.842  11.821
  110    H5     U  10           H5         U  10  -9.176 -14.422  10.575
  111    H6     U  10           H6         U  10 -10.125 -14.705   8.381
  112   1H5*    U  11          1H5*        U  11 -12.877 -10.803   4.095
  113   2H5*    U  11          2H5*        U  11 -14.317 -11.052   3.088
  114    H4*    U  11           H4*        U  11 -13.042  -9.081   2.417
  115    H3*    U  11           H3*        U  11 -14.221 -10.647   0.645
  116    H2*    U  11           H2*        U  11 -12.452 -12.268   0.353
  117   2HO*    U  11          2HO*        U  11 -11.267 -11.546  -1.576
  118    H1*    U  11           H1*        U  11 -10.374 -10.031   0.205
  119    H3     U  11           H3         U  11  -6.904 -12.776   0.527
  120    H5     U  11           H5         U  11  -9.904 -14.881   2.580
  121    H6     U  11           H6         U  11 -11.397 -13.054   2.116
  122   1H5*    U  12          1H5*        U  12 -12.063  -8.571  -3.969
  123   2H5*    U  12          2H5*        U  12 -11.803  -9.510  -2.487
  124    H4*    U  12           H4*        U  12 -11.258  -6.816  -1.865
  125    H3*    U  12           H3*        U  12 -10.842  -6.740  -4.498
  126    H2*    U  12           H2*        U  12  -9.421  -8.696  -4.659
  127   2HO*    U  12          2HO*        U  12  -8.279  -6.537  -5.167
  128    H1*    U  12           H1*        U  12  -7.933  -7.742  -2.148
  129    H3     U  12           H3         U  12  -5.252 -11.304  -2.538
  130    H5     U  12           H5         U  12  -9.105 -12.962  -2.765
  131    H6     U  12           H6         U  12  -9.985 -10.722  -2.758
  132    H1*  OMG  13           H1*      OMG  13 -10.562  -6.466   2.883
  133    H2*  OMG  13           H2*      OMG  13  -9.092  -4.122   2.758
  134    H3*  OMG  13           H3*      OMG  13  -9.824  -3.467   0.559
  135    H4*  OMG  13           H4*      OMG  13 -12.663  -4.078   1.279
  136   1HM2  OMG  13          1HM2      OMG  13  -9.724  -5.220   4.819
  137   2HM2  OMG  13          2HM2      OMG  13 -11.399  -5.768   4.793
  138   3HM2  OMG  13          3HM2      OMG  13 -10.964  -4.310   5.680
  139   1H5*  OMG  13          1H5*      OMG  13 -12.579  -5.249  -1.001
  140   2H5*  OMG  13          2H5*      OMG  13 -12.526  -3.476  -0.940
  141    H8   OMG  13           H8       OMG  13  -9.594  -5.961  -0.707
  142    HN1  OMG  13           HN1      OMG  13  -5.009  -8.551   2.946
  143   1HN2  OMG  13          1HN2      OMG  13  -5.536  -8.409   5.057
  144   2HN2  OMG  13          2HN2      OMG  13  -7.031  -7.678   5.595
  145   1H5*    G  14          1H5*        G  14 -10.754  -1.720   4.162
  146   2H5*    G  14          2H5*        G  14 -10.143  -0.071   4.405
  147    H4*    G  14           H4*        G  14  -9.508  -1.555   6.228
  148    H3*    G  14           H3*        G  14  -7.312  -0.355   4.571
  149    H2*    G  14           H2*        G  14  -5.683  -1.529   5.897
  150   2HO*    G  14          2HO*        G  14  -7.669  -1.410   7.724
  151    H1*    G  14           H1*        G  14  -7.052  -3.965   5.940
  152    H8     G  14           H8         G  14  -7.623  -2.501   2.566
  153    H1     G  14           H1         G  14  -1.870  -5.263   3.212
  154   1H2     G  14          1H2         G  14  -1.465  -5.701   5.321
  155   2H2     G  14          2H2         G  14  -2.605  -5.320   6.591
  156   1H5*    C  15          1H5*        C  15  -5.901  -0.607   8.142
  157   2H5*    C  15          2H5*        C  15  -6.015   0.987   8.913
  158    H4*    C  15           H4*        C  15  -4.018   0.319   9.730
  159    H3*    C  15           H3*        C  15  -3.443   1.816   7.208
  160    H2*    C  15           H2*        C  15  -1.114   1.211   7.329
  161   2HO*    C  15          2HO*        C  15  -0.215   0.635   9.193
  162    H1*    C  15           H1*        C  15  -1.511  -1.464   7.840
  163   1H4     C  15          1H4         C  15  -1.793  -1.371   1.510
  164   2H4     C  15          2H4         C  15  -3.379  -0.637   1.551
  165    H5     C  15           H5         C  15  -4.471   0.035   3.603
  166    H6     C  15           H6         C  15  -4.259   0.145   6.031
  167   1H5*    U  16          1H5*        U  16   1.152   4.164   9.031
  168   2H5*    U  16          2H5*        U  16   0.207   4.056   7.534
  169    H4*    U  16           H4*        U  16   1.528   1.734   8.936
  170    H3*    U  16           H3*        U  16   2.544   3.447   6.690
  171    H2*    U  16           H2*        U  16   3.372   1.490   5.577
  172   2HO*    U  16          2HO*        U  16   2.663  -0.004   7.905
  173    H1*    U  16           H1*        U  16   1.154  -0.149   6.163
  174    H3     U  16           H3         U  16   1.900   1.356   1.712
  175    H5     U  16           H5         U  16  -1.576   3.093   3.320
  176    H6     U  16           H6         U  16  -0.866   2.317   5.480
  177   1H5*    A  17          1H5*        A  17   4.927   5.070   5.557
  178   2H5*    A  17          2H5*        A  17   4.536   3.348   5.731
  179    H4*    A  17           H4*        A  17   7.325   3.553   5.964
  180    H3*    A  17           H3*        A  17   6.337   5.501   3.941
  181    H2*    A  17           H2*        A  17   7.777   4.611   2.234
  182   2HO*    A  17          2HO*        A  17   9.326   4.032   4.248
  183    H1*    A  17           H1*        A  17   7.220   1.951   2.673
  184    H8     A  17           H8         A  17   3.947   3.111   3.605
  185   1H6     A  17          1H6         A  17   2.682   4.280  -2.344
  186   2H6     A  17          2H6         A  17   2.003   4.093  -0.744
  187    H2     A  17           H2         A  17   7.106   3.661  -1.958
  188   1H5*    A  18          1H5*        A  18  10.980   5.754   3.514
  189   2H5*    A  18          2H5*        A  18  11.089   7.525   3.559
  190    H4*    A  18           H4*        A  18  12.222   6.327   1.632
  191    H3*    A  18           H3*        A  18  10.410   8.689   1.286
  192    H2*    A  18           H2*        A  18  10.644   8.526  -1.104
  193   2HO*    A  18          2HO*        A  18  12.101   6.777  -1.896
  194    H1*    A  18           H1*        A  18  10.322   5.761  -1.243
  195    H8     A  18           H8         A  18   8.075   6.996   1.490
  196   1H6     A  18          1H6         A  18   3.881   8.164  -2.914
  197   2H6     A  18          2H6         A  18   4.160   8.053  -1.191
  198    H2     A  18           H2         A  18   7.785   7.233  -4.919
  199    H1*  OMG  19           H1*      OMG  19  11.482  10.087  -4.586
  200    H2*  OMG  19           H2*      OMG  19  11.750  12.826  -4.218
  201    H3*  OMG  19           H3*      OMG  19  12.739  12.717  -2.030
  202    H4*  OMG  19           H4*      OMG  19  14.584  10.534  -2.906
  203   1HM2  OMG  19          1HM2      OMG  19  12.502  10.346  -6.513
  204   2HM2  OMG  19          2HM2      OMG  19  11.569  11.834  -6.380
  205   3HM2  OMG  19          3HM2      OMG  19  13.104  11.830  -7.245
  206   1H5*  OMG  19          1H5*      OMG  19  14.143   9.523  -0.757
  207   2H5*  OMG  19          2H5*      OMG  19  14.613  11.224  -0.573
  208    H8   OMG  19           H8       OMG  19  10.973  10.698  -0.941
  209    HN1  OMG  19           HN1      OMG  19   5.812  11.994  -4.522
  210   1HN2  OMG  19          1HN2      OMG  19   6.339  12.019  -6.645
  211   2HN2  OMG  19          2HN2      OMG  19   7.967  11.713  -7.207
  212   1H5*    A  20          1H5*        A  20  13.561  13.694  -6.118
  213   2H5*    A  20          2H5*        A  20  14.153  15.363  -5.994
  214    H4*    A  20           H4*        A  20  12.255  15.066  -7.558
  215    H3*    A  20           H3*        A  20  12.079  17.002  -5.280
  216    H2*    A  20           H2*        A  20   9.804  17.482  -5.790
  217   2HO*    A  20          2HO*        A  20  10.585  17.397  -8.203
  218    H1*    A  20           H1*        A  20   9.096  14.874  -6.710
  219    H8     A  20           H8         A  20  10.898  15.105  -3.363
  220   1H6     A  20          1H6         A  20   5.254  15.254  -0.819
  221   2H6     A  20          2H6         A  20   6.970  15.138  -0.498
  222    H2     A  20           H2         A  20   4.783  15.544  -5.268
  223    H3T    A  20           H3T        A  20  13.130  17.944  -6.740
  Start of MODEL    4
    1    HN1  PSU   1           HN1      PSU   1   0.187  13.383   1.374
    2    HN3  PSU   1           HN3      PSU   1   2.972  13.825  -1.573
    3    H6   PSU   1           H6       PSU   1  -1.587  13.889  -0.158
    4    H1*  PSU   1           H1*      PSU   1  -0.988  15.187  -3.505
    5    H2*  PSU   1           H2*      PSU   1  -1.273  12.434  -3.494
    6   *HO2  PSU   1          *HO2      PSU   1  -2.610  14.581  -4.681
    7    H3*  PSU   1           H3*      PSU   1  -2.749  12.318  -1.599
    8    H4*  PSU   1           H4*      PSU   1  -4.403  14.563  -2.671
    9   1H5*  PSU   1          1H5*      PSU   1  -4.225  15.394  -0.288
   10   2H5*  PSU   1          2H5*      PSU   1  -5.110  13.882  -0.563
   11    H5T  PSU   1           H5T      PSU   1  -3.247  14.170   1.137
   12   1H5*    C   2          1H5*        C   2  -3.722  12.431  -5.994
   13   2H5*    C   2          2H5*        C   2  -4.459  10.843  -6.279
   14    H4*    C   2           H4*        C   2  -3.103  11.388  -8.152
   15    H3*    C   2           H3*        C   2  -2.104   9.151  -6.443
   16    H2*    C   2           H2*        C   2  -0.086   8.979  -7.740
   17   2HO*    C   2          2HO*        C   2   0.019   9.729  -9.761
   18    H1*    C   2           H1*        C   2   0.457  11.691  -7.858
   19   1H4     C   2          1H4         C   2   3.352  10.115  -2.456
   20   2H4     C   2          2H4         C   2   1.818   9.935  -1.635
   21    H5     C   2           H5         C   2  -0.313  10.160  -2.761
   22    H6     C   2           H6         C   2  -1.403  10.578  -4.902
   23   1H5*    U   3          1H5*        U   3  -1.190   7.624 -10.143
   24   2H5*    U   3          2H5*        U   3  -2.403   6.361 -10.430
   25    H4*    U   3           H4*        U   3  -0.542   5.251 -11.074
   26    H3*    U   3           H3*        U   3  -0.938   4.655  -8.173
   27    H2*    U   3           H2*        U   3   1.177   3.515  -8.061
   28   2HO*    U   3          2HO*        U   3   0.678   3.052 -10.617
   29    H1*    U   3           H1*        U   3   2.641   5.416  -9.443
   30    H3     U   3           H3         U   3   3.881   6.432  -5.256
   31    H5     U   3           H5         U   3  -0.098   7.764  -5.456
   32    H6     U   3           H6         U   3  -0.247   6.747  -7.632
   33   1H5*    C   4          1H5*        C   4   1.551   1.672  -9.526
   34   2H5*    C   4          2H5*        C   4   0.583   0.193  -9.376
   35    H4*    C   4           H4*        C   4   2.766  -0.062  -8.351
   36    H3*    C   4           H3*        C   4   0.349  -0.244  -6.601
   37    H2*    C   4           H2*        C   4   1.731  -0.516  -4.650
   38   2HO*    C   4          2HO*        C   4   4.034  -0.598  -4.883
   39    H1*    C   4           H1*        C   4   3.424   1.585  -5.218
   40   1H4     C   4          1H4         C   4  -1.305   4.533  -2.206
   41   2H4     C   4          2H4         C   4  -2.308   4.466  -3.638
   42    H5     C   4           H5         C   4  -1.633   3.322  -5.664
   43    H6     C   4           H6         C   4   0.135   2.016  -6.722
   44    H1*  OMG   5           H1*      OMG   5   6.092  -1.410  -2.986
   45    H2*  OMG   5           H2*      OMG   5   5.977  -3.714  -1.464
   46    H3*  OMG   5           H3*      OMG   5   4.330  -4.848  -2.801
   47    H4*  OMG   5           H4*      OMG   5   5.774  -4.129  -5.315
   48   1HM2  OMG   5          1HM2      OMG   5   9.321  -3.228  -2.289
   49   2HM2  OMG   5          2HM2      OMG   5   8.043  -3.029  -1.092
   50   3HM2  OMG   5          3HM2      OMG   5   8.294  -1.796  -2.327
   51   1H5*  OMG   5          1H5*      OMG   5   3.864  -4.838  -6.169
   52   2H5*  OMG   5          2H5*      OMG   5   3.054  -4.787  -4.590
   53    H8   OMG   5           H8       OMG   5   2.586  -2.174  -3.492
   54    HN1  OMG   5           HN1      OMG   5   3.737  -0.326   2.541
   55   1HN2  OMG   5          1HN2      OMG   5   5.885  -0.387   2.964
   56   2HN2  OMG   5          2HN2      OMG   5   7.060  -0.881   1.765
   57    H1*  OMG   6           H1*      OMG   6   5.858  -3.632   2.853
   58    H2*  OMG   6           H2*      OMG   6   4.587  -6.099   3.253
   59    H3*  OMG   6           H3*      OMG   6   5.140  -7.001   1.092
   60    H4*  OMG   6           H4*      OMG   6   7.922  -5.906   1.395
   61   1HM2  OMG   6          1HM2      OMG   6   6.270  -4.087   5.018
   62   2HM2  OMG   6          2HM2      OMG   6   5.115  -5.391   5.280
   63   3HM2  OMG   6          3HM2      OMG   6   6.759  -5.531   5.900
   64   1H5*  OMG   6          1H5*      OMG   6   7.500  -5.244  -1.051
   65   2H5*  OMG   6          2H5*      OMG   6   7.763  -6.954  -0.650
   66    H8   OMG   6           H8       OMG   6   4.247  -4.594  -0.371
   67    HN1  OMG   6           HN1      OMG   6   0.172  -2.126   3.926
   68   1HN2  OMG   6          1HN2      OMG   6   1.122  -1.994   5.891
   69   2HN2  OMG   6          2HN2      OMG   6   2.769  -2.514   6.170
   70   1H5*    C   7          1H5*        C   7   6.271  -8.681   4.908
   71   2H5*    C   7          2H5*        C   7   5.637 -10.338   4.930
   72    H4*    C   7           H4*        C   7   4.788  -9.062   6.800
   73    H3*    C   7           H3*        C   7   2.770  -9.943   4.756
   74    H2*    C   7           H2*        C   7   1.040  -8.880   6.048
   75   2HO*    C   7          2HO*        C   7   1.397  -8.212   8.148
   76    H1*    C   7           H1*        C   7   2.505  -6.551   6.608
   77   1H4     C   7          1H4         C   7  -0.838  -4.976   1.463
   78   2H4     C   7          2H4         C   7   0.318  -5.793   0.434
   79    H5     C   7           H5         C   7   2.166  -7.095   1.306
   80    H6     C   7           H6         C   7   3.280  -7.865   3.335
   81   1H5*    C   8          1H5*        C   8   1.360 -11.516   8.621
   82   2H5*    C   8          2H5*        C   8   0.625 -13.103   8.324
   83    H4*    C   8           H4*        C   8  -0.910 -11.655   9.493
   84    H3*    C   8           H3*        C   8  -1.668 -12.517   6.728
   85    H2*    C   8           H2*        C   8  -3.659 -11.168   6.827
   86   2HO*    C   8          2HO*        C   8  -3.617  -9.913   9.093
   87    H1*    C   8           H1*        C   8  -2.454  -8.910   7.881
   88   1H4     C   8          1H4         C   8  -1.791  -7.884   1.675
   89   2H4     C   8          2H4         C   8  -0.573  -9.134   1.548
   90    H5     C   8           H5         C   8   0.075 -10.534   3.416
   91    H6     C   8           H6         C   8  -0.349 -11.047   5.764
   92    HN1  PSU   9           HN1      PSU   9  -3.054 -11.126   2.970
   93    HN3  PSU   9           HN3      PSU   9  -5.883  -8.973   0.971
   94    H6   PSU   9           H6       PSU   9  -4.506 -11.378   4.857
   95    H1*  PSU   9           H1*      PSU   9  -7.634  -9.560   5.198
   96    H2*  PSU   9           H2*      PSU   9  -7.846 -12.163   4.041
   97   *HO2  PSU   9          *HO2      PSU   9  -9.138 -11.066   6.345
   98    H3*  PSU   9           H3*      PSU   9  -6.351 -13.175   5.630
   99    H4*  PSU   9           H4*      PSU   9  -7.629 -11.425   7.728
  100   1H5*  PSU   9          1H5*      PSU   9  -5.228 -11.289   8.567
  101   2H5*  PSU   9          2H5*      PSU   9  -6.097 -12.822   8.776
  102   1H5*    U  10          1H5*        U  10 -10.210 -14.753   3.129
  103   2H5*    U  10          2H5*        U  10  -9.101 -13.422   2.745
  104    H4*    U  10           H4*        U  10 -11.614 -13.380   1.997
  105    H3*    U  10           H3*        U  10  -9.790 -11.442   1.905
  106    H2*    U  10           H2*        U  10  -9.979 -10.695   4.201
  107   2HO*    U  10          2HO*        U  10 -11.611  -9.279   2.419
  108    H1*    U  10           H1*        U  10 -13.032 -10.875   3.963
  109    H3     U  10           H3         U  10 -12.819  -9.139   8.159
  110    H5     U  10           H5         U  10 -11.069 -12.946   8.454
  111    H6     U  10           H6         U  10 -11.150 -13.085   6.052
  112   1H5*    U  11          1H5*        U  11  -9.759  -9.631   0.042
  113   2H5*    U  11          2H5*        U  11 -11.034  -8.433  -0.262
  114    H4*    U  11           H4*        U  11 -10.068  -7.747  -2.116
  115    H3*    U  11           H3*        U  11 -10.926 -10.019  -3.206
  116    H2*    U  11           H2*        U  11  -9.123 -11.459  -2.500
  117   2HO*    U  11          2HO*        U  11  -8.920 -10.477  -5.041
  118    H1*    U  11           H1*        U  11  -7.094  -9.277  -3.205
  119    H3     U  11           H3         U  11  -3.700 -11.538  -1.445
  120    H5     U  11           H5         U  11  -6.897 -12.613   1.057
  121    H6     U  11           H6         U  11  -8.326 -11.249  -0.309
  122   1H5*    U  12          1H5*        U  12  -8.472  -5.931  -5.228
  123   2H5*    U  12          2H5*        U  12  -8.081  -7.017  -3.880
  124    H4*    U  12           H4*        U  12  -8.853  -4.606  -2.702
  125    H3*    U  12           H3*        U  12  -8.272  -3.634  -5.102
  126    H2*    U  12           H2*        U  12  -6.134  -4.739  -5.401
  127   2HO*    U  12          2HO*        U  12  -6.067  -2.179  -4.970
  128    H1*    U  12           H1*        U  12  -5.387  -3.998  -2.521
  129    H3     U  12           H3         U  12  -1.849  -6.109  -4.978
  130    H5     U  12           H5         U  12  -3.873  -8.847  -2.520
  131    H6     U  12           H6         U  12  -5.596  -7.193  -2.226
  132    H1*  OMG  13           H1*      OMG  13  -9.454  -5.136   2.947
  133    H2*  OMG  13           H2*      OMG  13  -8.173  -2.690   2.879
  134    H3*  OMG  13           H3*      OMG  13  -8.585  -2.241   0.549
  135    H4*  OMG  13           H4*      OMG  13 -11.456  -3.017   0.864
  136   1HM2  OMG  13          1HM2      OMG  13 -10.649  -4.399   4.640
  137   2HM2  OMG  13          2HM2      OMG  13 -10.476  -2.858   5.478
  138   3HM2  OMG  13          3HM2      OMG  13  -9.048  -3.706   4.890
  139   1H5*  OMG  13          1H5*      OMG  13 -10.515  -4.450  -1.266
  140   2H5*  OMG  13          2H5*      OMG  13 -11.306  -2.863  -1.338
  141    H8   OMG  13           H8       OMG  13  -7.862  -4.391  -0.439
  142    HN1  OMG  13           HN1      OMG  13  -4.086  -7.354   3.809
  143   1HN2  OMG  13          1HN2      OMG  13  -5.040  -7.419   5.771
  144   2HN2  OMG  13          2HN2      OMG  13  -6.626  -6.737   6.058
  145   1H5*    G  14          1H5*        G  14 -10.073  -0.383   3.990
  146   2H5*    G  14          2H5*        G  14  -9.454   1.270   4.177
  147    H4*    G  14           H4*        G  14  -9.007  -0.098   6.141
  148    H3*    G  14           H3*        G  14  -6.630   0.923   4.609
  149    H2*    G  14           H2*        G  14  -5.190  -0.150   6.212
  150   2HO*    G  14          2HO*        G  14  -7.390  -1.071   7.719
  151    H1*    G  14           H1*        G  14  -6.675  -2.531   6.350
  152    H8     G  14           H8         G  14  -6.554  -1.224   2.819
  153    H1     G  14           H1         G  14  -1.434  -4.685   4.539
  154   1H2     G  14          1H2         G  14  -1.450  -5.054   6.697
  155   2H2     G  14          2H2         G  14  -2.723  -4.457   7.738
  156   1H5*    C  15          1H5*        C  15  -5.595   0.947   8.314
  157   2H5*    C  15          2H5*        C  15  -5.647   2.614   8.920
  158    H4*    C  15           H4*        C  15  -3.754   1.907   9.931
  159    H3*    C  15           H3*        C  15  -2.909   3.085   7.312
  160    H2*    C  15           H2*        C  15  -0.642   2.368   7.691
  161   2HO*    C  15          2HO*        C  15  -0.807   2.857  10.030
  162    H1*    C  15           H1*        C  15  -1.265  -0.196   8.540
  163   1H4     C  15          1H4         C  15  -0.784  -1.066   2.291
  164   2H4     C  15          2H4         C  15  -2.268  -0.189   2.006
  165    H5     C  15           H5         C  15  -3.522   0.891   3.773
  166    H6     C  15           H6         C  15  -3.600   1.354   6.167
  167   1H5*    U  16          1H5*        U  16   1.695   4.977   8.862
  168   2H5*    U  16          2H5*        U  16   0.754   4.635   7.396
  169    H4*    U  16           H4*        U  16   1.955   2.532   9.189
  170    H3*    U  16           H3*        U  16   3.172   3.905   6.824
  171    H2*    U  16           H2*        U  16   3.946   1.812   5.953
  172   2HO*    U  16          2HO*        U  16   3.631   1.078   8.619
  173    H1*    U  16           H1*        U  16   1.635   0.338   6.539
  174    H3     U  16           H3         U  16   2.504   1.400   2.018
  175    H5     U  16           H5         U  16  -0.763   3.644   3.422
  176    H6     U  16           H6         U  16  -0.159   2.977   5.652
  177   1H5*    A  17          1H5*        A  17   6.424   4.363   6.420
  178   2H5*    A  17          2H5*        A  17   5.113   3.858   5.337
  179    H4*    A  17           H4*        A  17   7.918   2.751   5.328
  180    H3*    A  17           H3*        A  17   6.740   5.002   3.755
  181    H2*    A  17           H2*        A  17   7.745   4.178   1.730
  182   2HO*    A  17          2HO*        A  17   8.969   2.005   2.191
  183    H1*    A  17           H1*        A  17   7.021   1.528   2.079
  184    H8     A  17           H8         A  17   4.089   3.003   3.608
  185   1H6     A  17          1H6         A  17   1.993   4.513  -2.020
  186   2H6     A  17          2H6         A  17   1.576   4.354  -0.328
  187    H2     A  17           H2         A  17   6.311   3.368  -2.404
  188   1H5*    A  18          1H5*        A  18  11.005   4.431   2.417
  189   2H5*    A  18          2H5*        A  18  11.563   6.101   2.204
  190    H4*    A  18           H4*        A  18  11.809   4.543   0.229
  191    H3*    A  18           H3*        A  18  10.540   7.255   0.015
  192    H2*    A  18           H2*        A  18  10.133   6.859  -2.326
  193   2HO*    A  18          2HO*        A  18  12.255   5.651  -2.464
  194    H1*    A  18           H1*        A  18   9.174   4.259  -2.004
  195    H8     A  18           H8         A  18   8.161   6.543   0.864
  196   1H6     A  18          1H6         A  18   3.114   7.828  -2.484
  197   2H6     A  18          2H6         A  18   3.906   8.050  -0.940
  198    H2     A  18           H2         A  18   5.863   5.343  -5.009
  199    H1*  OMG  19           H1*      OMG  19  10.023   8.707  -5.732
  200    H2*  OMG  19           H2*      OMG  19  10.351  11.419  -5.091
  201    H3*  OMG  19           H3*      OMG  19  11.931  11.059  -3.313
  202    H4*  OMG  19           H4*      OMG  19  13.335   9.013  -5.008
  203   1HM2  OMG  19          1HM2      OMG  19   9.538  10.634  -7.223
  204   2HM2  OMG  19          2HM2      OMG  19  10.756  10.841  -8.478
  205   3HM2  OMG  19          3HM2      OMG  19  10.432   9.239  -7.821
  206   1H5*  OMG  19          1H5*      OMG  19  13.657   7.772  -2.957
  207   2H5*  OMG  19          2H5*      OMG  19  14.233   9.442  -2.786
  208    H8   OMG  19           H8       OMG  19  10.293   9.024  -2.014
  209    HN1  OMG  19           HN1      OMG  19   4.460  10.360  -4.325
  210   1HN2  OMG  19          1HN2      OMG  19   4.525  10.549  -6.506
  211   2HN2  OMG  19          2HN2      OMG  19   6.004  10.346  -7.417
  212   1H5*    A  20          1H5*        A  20  11.709  12.516  -7.421
  213   2H5*    A  20          2H5*        A  20  12.335  14.167  -7.245
  214    H4*    A  20           H4*        A  20  10.121  14.016  -8.358
  215    H3*    A  20           H3*        A  20  10.483  15.690  -5.896
  216    H2*    A  20           H2*        A  20   8.162  16.201  -5.857
  217   2HO*    A  20          2HO*        A  20   7.920  15.115  -8.479
  218    H1*    A  20           H1*        A  20   7.261  13.710  -6.966
  219    H8     A  20           H8         A  20   9.570  13.580  -3.942
  220   1H6     A  20          1H6         A  20   4.403  13.396  -0.533
  221   2H6     A  20          2H6         A  20   6.148  13.271  -0.503
  222    H2     A  20           H2         A  20   3.233  14.146  -4.796
  223    H3T    A  20           H3T        A  20   9.692  16.615  -8.360
  Start of MODEL    5
    1    HN1  PSU   1           HN1      PSU   1  -0.489  13.089   0.606
    2    HN3  PSU   1           HN3      PSU   1   2.636  13.969  -1.864
    3    H6   PSU   1           H6       PSU   1  -2.050  13.350  -1.196
    4    H1*  PSU   1           H1*      PSU   1  -1.068  14.695  -4.467
    5    H2*  PSU   1           H2*      PSU   1  -1.193  11.923  -4.260
    6   *HO2  PSU   1          *HO2      PSU   1  -3.201  12.895  -5.844
    7    H3*  PSU   1           H3*      PSU   1  -2.987  11.854  -2.663
    8    H4*  PSU   1           H4*      PSU   1  -4.486  13.938  -4.199
    9   1H5*  PSU   1          1H5*      PSU   1  -4.940  14.901  -1.959
   10   2H5*  PSU   1          2H5*      PSU   1  -5.531  13.245  -2.190
   11    H5T  PSU   1           H5T      PSU   1  -4.459  13.476  -0.195
   12   1H5*    C   2          1H5*        C   2  -3.452  11.594  -7.242
   13   2H5*    C   2          2H5*        C   2  -3.796   9.878  -7.534
   14    H4*    C   2           H4*        C   2  -2.280  10.743  -9.200
   15    H3*    C   2           H3*        C   2  -1.263   8.609  -7.372
   16    H2*    C   2           H2*        C   2   0.934   8.759  -8.332
   17   2HO*    C   2          2HO*        C   2  -0.326   9.360 -10.496
   18    H1*    C   2           H1*        C   2   1.086  11.530  -8.368
   19   1H4     C   2          1H4         C   2   3.427  10.283  -2.626
   20   2H4     C   2          2H4         C   2   1.851   9.812  -2.033
   21    H5     C   2           H5         C   2  -0.113   9.715  -3.446
   22    H6     C   2           H6         C   2  -0.953  10.014  -5.714
   23   1H5*    U   3          1H5*        U   3   0.234   7.250 -11.115
   24   2H5*    U   3          2H5*        U   3  -0.771   5.825 -11.453
   25    H4*    U   3           H4*        U   3   1.302   5.039 -11.976
   26    H3*    U   3           H3*        U   3   0.681   4.262  -9.161
   27    H2*    U   3           H2*        U   3   2.907   3.422  -8.826
   28   2HO*    U   3          2HO*        U   3   4.323   3.712 -10.869
   29    H1*    U   3           H1*        U   3   4.245   5.547  -9.992
   30    H3     U   3           H3         U   3   4.900   6.661  -5.711
   31    H5     U   3           H5         U   3   0.775   7.255  -6.241
   32    H6     U   3           H6         U   3   1.001   6.311  -8.444
   33   1H5*    C   4          1H5*        C   4   3.536   1.768 -10.650
   34   2H5*    C   4          2H5*        C   4   2.894   0.114 -10.611
   35    H4*    C   4           H4*        C   4   5.151   0.323  -9.646
   36    H3*    C   4           H3*        C   4   2.898  -0.768  -8.010
   37    H2*    C   4           H2*        C   4   4.324  -0.923  -6.077
   38   2HO*    C   4          2HO*        C   4   6.632   0.022  -6.703
   39    H1*    C   4           H1*        C   4   5.473   1.586  -6.332
   40   1H4     C   4          1H4         C   4   0.335   2.770  -2.814
   41   2H4     C   4          2H4         C   4  -0.674   2.782  -4.242
   42    H5     C   4           H5         C   4   0.162   2.231  -6.449
   43    H6     C   4           H6         C   4   2.131   1.559  -7.724
   44    H1*  OMG   5           H1*      OMG   5   6.248  -1.201  -3.172
   45    H2*  OMG   5           H2*      OMG   5   5.972  -3.580  -1.773
   46    H3*  OMG   5           H3*      OMG   5   4.613  -4.698  -3.414
   47    H4*  OMG   5           H4*      OMG   5   6.431  -3.777  -5.605
   48   1HM2  OMG   5          1HM2      OMG   5   7.938  -2.677  -1.080
   49   2HM2  OMG   5          2HM2      OMG   5   8.248  -1.448  -2.305
   50   3HM2  OMG   5          3HM2      OMG   5   9.385  -2.775  -2.082
   51   1H5*  OMG   5          1H5*      OMG   5   4.086  -5.025  -5.764
   52   2H5*  OMG   5          2H5*      OMG   5   3.502  -3.349  -5.752
   53    H8   OMG   5           H8       OMG   5   2.883  -1.906  -4.215
   54    HN1  OMG   5           HN1      OMG   5   3.109  -0.628   2.067
   55   1HN2  OMG   5          1HN2      OMG   5   5.168  -0.746   2.798
   56   2HN2  OMG   5          2HN2      OMG   5   6.512  -1.139   1.749
   57    H1*  OMG   6           H1*      OMG   6   5.642  -3.602   2.667
   58    H2*  OMG   6           H2*      OMG   6   4.427  -6.158   2.800
   59    H3*  OMG   6           H3*      OMG   6   5.218  -6.888   0.653
   60    H4*  OMG   6           H4*      OMG   6   7.851  -5.557   1.259
   61   1HM2  OMG   6          1HM2      OMG   6   6.230  -5.468   5.645
   62   2HM2  OMG   6          2HM2      OMG   6   6.419  -4.005   4.682
   63   3HM2  OMG   6          3HM2      OMG   6   4.862  -4.830   4.736
   64   1H5*  OMG   6          1H5*      OMG   6   7.659  -4.858  -1.181
   65   2H5*  OMG   6          2H5*      OMG   6   7.964  -6.570  -0.829
   66    H8   OMG   6           H8       OMG   6   4.029  -4.449  -0.610
   67    HN1  OMG   6           HN1      OMG   6  -0.026  -2.210   3.830
   68   1HN2  OMG   6          1HN2      OMG   6   0.949  -2.134   5.784
   69   2HN2  OMG   6          2HN2      OMG   6   2.607  -2.638   6.020
   70   1H5*    C   7          1H5*        C   7   6.233  -8.222   4.616
   71   2H5*    C   7          2H5*        C   7   5.914  -9.967   4.642
   72    H4*    C   7           H4*        C   7   4.769  -8.969   6.470
   73    H3*    C   7           H3*        C   7   2.950  -9.901   4.267
   74    H2*    C   7           H2*        C   7   1.063  -9.127   5.535
   75   2HO*    C   7          2HO*        C   7   2.967  -8.798   7.645
   76    H1*    C   7           H1*        C   7   2.272  -6.726   6.392
   77   1H4     C   7          1H4         C   7  -0.980  -4.754   1.346
   78   2H4     C   7          2H4         C   7   0.126  -5.567   0.263
   79    H5     C   7           H5         C   7   1.938  -6.972   1.039
   80    H6     C   7           H6         C   7   3.065  -7.867   3.009
   81   1H5*    C   8          1H5*        C   8   1.422 -11.771   8.052
   82   2H5*    C   8          2H5*        C   8   1.245 -13.478   7.600
   83    H4*    C   8           H4*        C   8  -0.738 -12.839   8.701
   84    H3*    C   8           H3*        C   8  -1.018 -13.292   5.772
   85    H2*    C   8           H2*        C   8  -3.263 -12.464   5.743
   86   2HO*    C   8          2HO*        C   8  -3.608 -11.849   8.362
   87    H1*    C   8           H1*        C   8  -2.888 -10.288   7.435
   88   1H4     C   8          1H4         C   8  -1.832  -7.522   1.871
   89   2H4     C   8          2H4         C   8  -0.414  -8.503   1.573
   90    H5     C   8           H5         C   8   0.322 -10.243   3.095
   91    H6     C   8           H6         C   8  -0.176 -11.403   5.182
   92    HN1  PSU   9           HN1      PSU   9  -2.900 -10.272   1.831
   93    HN3  PSU   9           HN3      PSU   9  -6.417  -8.205   1.784
   94    H6   PSU   9           H6       PSU   9  -3.526 -11.391   3.851
   95    H1*  PSU   9           H1*      PSU   9  -5.779 -10.503   6.048
   96    H2*  PSU   9           H2*      PSU   9  -7.833 -11.264   4.293
   97   *HO2  PSU   9          *HO2      PSU   9  -7.501 -11.014   6.816
   98    H3*  PSU   9           H3*      PSU   9  -6.707 -13.275   3.571
   99    H4*  PSU   9           H4*      PSU   9  -6.052 -13.790   6.465
  100   1H5*  PSU   9          1H5*      PSU   9  -5.203 -15.575   5.322
  101   2H5*  PSU   9          2H5*      PSU   9  -4.844 -14.619   3.871
  102   1H5*    U  10          1H5*        U  10 -11.768 -14.576   4.271
  103   2H5*    U  10          2H5*        U  10 -11.775 -13.796   2.677
  104    H4*    U  10           H4*        U  10 -13.365 -12.589   3.778
  105    H3*    U  10           H3*        U  10 -11.282 -11.072   3.116
  106    H2*    U  10           H2*        U  10 -10.011 -11.344   5.160
  107   2HO*    U  10          2HO*        U  10 -10.508  -9.072   4.857
  108    H1*    U  10           H1*        U  10 -12.594 -10.950   6.767
  109    H3     U  10           H3         U  10 -10.714 -11.899  10.673
  110    H5     U  10           H5         U  10  -8.479 -14.257   8.012
  111    H6     U  10           H6         U  10  -9.815 -13.365   6.220
  112   1H5*    U  11          1H5*        U  11 -14.622  -8.460   0.326
  113   2H5*    U  11          2H5*        U  11 -13.460  -9.702  -0.181
  114    H4*    U  11           H4*        U  11 -13.136  -6.739  -0.002
  115    H3*    U  11           H3*        U  11 -13.575  -8.104  -2.222
  116    H2*    U  11           H2*        U  11 -11.833  -9.762  -1.982
  117   2HO*    U  11          2HO*        U  11 -10.014  -8.941  -3.261
  118    H1*    U  11           H1*        U  11  -9.840  -7.603  -1.137
  119    H3     U  11           H3         U  11  -6.757 -10.501   0.197
  120    H5     U  11           H5         U  11 -10.316 -12.653   0.779
  121    H6     U  11           H6         U  11 -11.519 -10.736  -0.036
  122   1H5*    U  12          1H5*        U  12  -9.412  -6.067  -5.157
  123   2H5*    U  12          2H5*        U  12 -10.051  -7.125  -3.884
  124    H4*    U  12           H4*        U  12  -9.787  -4.914  -2.446
  125    H3*    U  12           H3*        U  12  -8.709  -3.744  -4.577
  126    H2*    U  12           H2*        U  12  -7.014  -5.412  -5.046
  127   2HO*    U  12          2HO*        U  12  -5.268  -4.367  -3.286
  128    H1*    U  12           H1*        U  12  -6.367  -5.524  -2.049
  129    H3     U  12           H3         U  12  -3.362  -8.134  -4.697
  130    H5     U  12           H5         U  12  -6.449 -10.508  -3.122
  131    H6     U  12           H6         U  12  -7.607  -8.480  -2.541
  132    H1*  OMG  13           H1*      OMG  13  -9.591  -5.326   3.631
  133    H2*  OMG  13           H2*      OMG  13  -8.620  -2.745   3.672
  134    H3*  OMG  13           H3*      OMG  13  -9.045  -2.272   1.347
  135    H4*  OMG  13           H4*      OMG  13 -11.819  -3.362   1.588
  136   1HM2  OMG  13          1HM2      OMG  13 -10.941  -4.809   5.288
  137   2HM2  OMG  13          2HM2      OMG  13 -10.949  -3.308   6.211
  138   3HM2  OMG  13          3HM2      OMG  13  -9.426  -3.973   5.621
  139   1H5*  OMG  13          1H5*      OMG  13 -10.896  -4.612  -0.568
  140   2H5*  OMG  13          2H5*      OMG  13 -11.541  -2.959  -0.604
  141    H8   OMG  13           H8       OMG  13  -8.000  -3.949   0.401
  142    HN1  OMG  13           HN1      OMG  13  -4.191  -7.465   4.169
  143   1HN2  OMG  13          1HN2      OMG  13  -5.210  -7.971   6.034
  144   2HN2  OMG  13          2HN2      OMG  13  -6.844  -7.451   6.373
  145   1H5*    G  14          1H5*        G  14 -10.422  -0.887   4.965
  146   2H5*    G  14          2H5*        G  14  -9.892   0.786   5.225
  147    H4*    G  14           H4*        G  14  -9.099  -0.697   6.983
  148    H3*    G  14           H3*        G  14  -6.983   0.563   5.248
  149    H2*    G  14           H2*        G  14  -5.326  -0.514   6.615
  150   2HO*    G  14          2HO*        G  14  -7.268  -1.611   8.331
  151    H1*    G  14           H1*        G  14  -6.746  -2.954   6.849
  152    H8     G  14           H8         G  14  -6.818  -1.555   3.345
  153    H1     G  14           H1         G  14  -1.613  -5.046   4.715
  154   1H2     G  14          1H2         G  14  -1.520  -5.471   6.855
  155   2H2     G  14          2H2         G  14  -2.740  -4.911   7.977
  156   1H5*    C  15          1H5*        C  15  -5.629   0.690   8.897
  157   2H5*    C  15          2H5*        C  15  -5.593   2.362   9.492
  158    H4*    C  15           H4*        C  15  -3.586   1.644  10.247
  159    H3*    C  15           H3*        C  15  -3.076   2.802   7.530
  160    H2*    C  15           H2*        C  15  -0.779   2.094   7.653
  161   2HO*    C  15          2HO*        C  15  -0.988   0.876  10.137
  162    H1*    C  15           H1*        C  15  -1.300  -0.457   8.622
  163   1H4     C  15          1H4         C  15  -1.421  -1.461   2.374
  164   2H4     C  15          2H4         C  15  -2.911  -0.563   2.209
  165    H5     C  15           H5         C  15  -3.981   0.569   4.060
  166    H6     C  15           H6         C  15  -3.836   1.073   6.443
  167   1H5*    U  16          1H5*        U  16   1.126   4.619   9.146
  168   2H5*    U  16          2H5*        U  16   1.265   4.992   7.416
  169    H4*    U  16           H4*        U  16   2.029   2.608   8.896
  170    H3*    U  16           H3*        U  16   2.846   3.886   6.309
  171    H2*    U  16           H2*        U  16   3.638   1.765   5.503
  172   2HO*    U  16          2HO*        U  16   3.627   1.214   8.238
  173    H1*    U  16           H1*        U  16   1.471   0.260   6.434
  174    H3     U  16           H3         U  16   1.760   1.059   1.795
  175    H5     U  16           H5         U  16  -1.372   3.332   3.438
  176    H6     U  16           H6         U  16  -0.497   2.814   5.617
  177   1H5*    A  17          1H5*        A  17   4.860   3.507   4.990
  178   2H5*    A  17          2H5*        A  17   5.624   2.407   6.154
  179    H4*    A  17           H4*        A  17   7.812   2.938   5.273
  180    H3*    A  17           H3*        A  17   6.408   4.997   3.620
  181    H2*    A  17           H2*        A  17   7.774   4.456   1.712
  182   2HO*    A  17          2HO*        A  17   9.338   2.555   2.242
  183    H1*    A  17           H1*        A  17   7.527   1.705   1.927
  184    H8     A  17           H8         A  17   4.211   2.575   3.113
  185   1H6     A  17          1H6         A  17   2.548   3.869  -2.709
  186   2H6     A  17          2H6         A  17   1.974   3.580  -1.082
  187    H2     A  17           H2         A  17   7.018   3.522  -2.582
  188   1H5*    A  18          1H5*        A  18  10.755   5.115   2.881
  189   2H5*    A  18          2H5*        A  18  11.183   6.832   3.001
  190    H4*    A  18           H4*        A  18  12.080   5.708   0.992
  191    H3*    A  18           H3*        A  18  10.324   8.120   0.721
  192    H2*    A  18           H2*        A  18  10.440   7.947  -1.680
  193   2HO*    A  18          2HO*        A  18  12.744   7.205  -1.528
  194    H1*    A  18           H1*        A  18   9.966   5.213  -1.795
  195    H8     A  18           H8         A  18   8.131   6.909   1.085
  196   1H6     A  18          1H6         A  18   3.419   7.582  -2.876
  197   2H6     A  18          2H6         A  18   3.935   7.766  -1.214
  198    H2     A  18           H2         A  18   6.942   5.998  -5.157
  199    H1*  OMG  19           H1*      OMG  19  10.598   9.945  -4.929
  200    H2*  OMG  19           H2*      OMG  19  10.392  12.631  -4.193
  201    H3*  OMG  19           H3*      OMG  19  11.634  12.417  -2.142
  202    H4*  OMG  19           H4*      OMG  19  13.676  10.744  -3.572
  203   1HM2  OMG  19          1HM2      OMG  19  10.137  11.849  -6.455
  204   2HM2  OMG  19          2HM2      OMG  19  11.529  12.284  -7.446
  205   3HM2  OMG  19          3HM2      OMG  19  11.330  10.625  -6.885
  206   1H5*  OMG  19          1H5*      OMG  19  13.793   9.438  -1.544
  207   2H5*  OMG  19          2H5*      OMG  19  14.013  11.165  -1.196
  208    H8   OMG  19           H8       OMG  19  10.250  10.084  -1.209
  209    HN1  OMG  19           HN1      OMG  19   4.696  10.669  -4.362
  210   1HN2  OMG  19          1HN2      OMG  19   5.057  10.995  -6.496
  211   2HN2  OMG  19          2HN2      OMG  19   6.670  11.068  -7.170
  212   1H5*    A  20          1H5*        A  20  12.192  13.904  -5.613
  213   2H5*    A  20          2H5*        A  20  12.689  15.605  -5.706
  214    H4*    A  20           H4*        A  20  10.893  15.274  -7.222
  215    H3*    A  20           H3*        A  20  10.190  16.901  -4.805
  216    H2*    A  20           H2*        A  20   7.915  17.039  -5.525
  217   2HO*    A  20          2HO*        A  20   7.821  15.774  -7.829
  218    H1*    A  20           H1*        A  20   7.725  14.407  -6.530
  219    H8     A  20           H8         A  20   9.477  14.789  -3.166
  220   1H6     A  20          1H6         A  20   3.913  13.816  -0.629
  221   2H6     A  20          2H6         A  20   5.622  14.005  -0.309
  222    H2     A  20           H2         A  20   3.375  14.171  -5.065
  223    H3T    A  20           H3T        A  20  11.516  17.481  -6.717
  Start of MODEL    6
    1    HN1  PSU   1           HN1      PSU   1  -0.600  12.281   1.674
    2    HN3  PSU   1           HN3      PSU   1   2.435  13.374  -0.823
    3    H6   PSU   1           H6       PSU   1  -2.227  12.700  -0.038
    4    H1*  PSU   1           H1*      PSU   1  -1.404  14.376  -3.167
    5    H2*  PSU   1           H2*      PSU   1  -1.321  11.610  -3.375
    6   *HO2  PSU   1          *HO2      PSU   1  -2.548  13.704  -4.655
    7    H3*  PSU   1           H3*      PSU   1  -3.023  11.172  -1.731
    8    H4*  PSU   1           H4*      PSU   1  -4.760  13.302  -2.914
    9   1H5*  PSU   1          1H5*      PSU   1  -4.807  13.899  -0.329
   10   2H5*  PSU   1          2H5*      PSU   1  -5.834  12.649  -1.055
   11    H5T  PSU   1           H5T      PSU   1  -4.587  12.058   0.889
   12   1H5*    C   2          1H5*        C   2  -3.314  11.738  -6.062
   13   2H5*    C   2          2H5*        C   2  -3.902  10.185  -6.688
   14    H4*    C   2           H4*        C   2  -2.404  11.021  -8.289
   15    H3*    C   2           H3*        C   2  -1.302   8.739  -6.708
   16    H2*    C   2           H2*        C   2   0.839   8.958  -7.780
   17   2HO*    C   2          2HO*        C   2  -0.084   9.449  -9.888
   18    H1*    C   2           H1*        C   2   1.027  11.713  -7.566
   19   1H4     C   2          1H4         C   2   3.585   9.907  -2.067
   20   2H4     C   2          2H4         C   2   2.023   9.425  -1.447
   21    H5     C   2           H5         C   2  -0.002   9.496  -2.773
   22    H6     C   2           H6         C   2  -0.932  10.026  -4.963
   23   1H5*    U   3          1H5*        U   3  -0.032   7.833 -10.606
   24   2H5*    U   3          2H5*        U   3  -1.062   6.478 -11.102
   25    H4*    U   3           H4*        U   3   0.930   5.731 -11.861
   26    H3*    U   3           H3*        U   3   0.642   4.679  -9.079
   27    H2*    U   3           H2*        U   3   2.888   3.811  -9.133
   28   2HO*    U   3          2HO*        U   3   2.508   4.175 -11.874
   29    H1*    U   3           H1*        U   3   4.065   6.093 -10.138
   30    H3     U   3           H3         U   3   5.059   6.583  -5.782
   31    H5     U   3           H5         U   3   0.947   7.415  -5.965
   32    H6     U   3           H6         U   3   0.990   6.741  -8.274
   33   1H5*    C   4          1H5*        C   4   4.133   2.410 -10.487
   34   2H5*    C   4          2H5*        C   4   3.582   0.737 -10.698
   35    H4*    C   4           H4*        C   4   5.239   0.982  -8.907
   36    H3*    C   4           H3*        C   4   2.510  -0.055  -8.197
   37    H2*    C   4           H2*        C   4   3.210  -0.241  -5.906
   38   2HO*    C   4          2HO*        C   4   5.393  -1.001  -6.631
   39    H1*    C   4           H1*        C   4   4.602   2.205  -5.839
   40   1H4     C   4          1H4         C   4  -1.059   3.715  -3.443
   41   2H4     C   4          2H4         C   4  -1.775   3.703  -5.039
   42    H5     C   4           H5         C   4  -0.555   3.035  -7.024
   43    H6     C   4           H6         C   4   1.593   2.252  -7.874
   44    H1*  OMG   5           H1*      OMG   5   7.181  -1.156  -3.280
   45    H2*  OMG   5           H2*      OMG   5   6.762  -3.465  -1.818
   46    H3*  OMG   5           H3*      OMG   5   5.358  -4.563  -3.436
   47    H4*  OMG   5           H4*      OMG   5   7.243  -3.854  -5.644
   48   1HM2  OMG   5          1HM2      OMG   5   9.307  -1.454  -2.799
   49   2HM2  OMG   5          2HM2      OMG   5  10.157  -2.797  -2.038
   50   3HM2  OMG   5          3HM2      OMG   5   8.657  -2.192  -1.337
   51   1H5*  OMG   5          1H5*      OMG   5   5.245  -4.954  -6.324
   52   2H5*  OMG   5          2H5*      OMG   5   4.239  -3.792  -5.439
   53    H8   OMG   5           H8       OMG   5   3.824  -1.742  -4.424
   54    HN1  OMG   5           HN1      OMG   5   3.891  -0.258   1.817
   55   1HN2  OMG   5          1HN2      OMG   5   5.914  -0.450   2.627
   56   2HN2  OMG   5          2HN2      OMG   5   7.272  -0.940   1.640
   57    H1*  OMG   6           H1*      OMG   6   6.199  -3.303   2.807
   58    H2*  OMG   6           H2*      OMG   6   4.991  -5.842   2.780
   59    H3*  OMG   6           H3*      OMG   6   5.909  -6.516   0.664
   60    H4*  OMG   6           H4*      OMG   6   8.541  -5.313   1.484
   61   1HM2  OMG   6          1HM2      OMG   6   6.832  -3.781   4.856
   62   2HM2  OMG   6          2HM2      OMG   6   5.293  -4.637   4.791
   63   3HM2  OMG   6          3HM2      OMG   6   6.621  -5.279   5.757
   64   1H5*  OMG   6          1H5*      OMG   6   8.493  -4.478  -0.928
   65   2H5*  OMG   6          2H5*      OMG   6   8.741  -6.211  -0.641
   66    H8   OMG   6           H8       OMG   6   4.973  -4.155  -0.648
   67    HN1  OMG   6           HN1      OMG   6   0.469  -1.809   3.272
   68   1HN2  OMG   6          1HN2      OMG   6   1.218  -1.714   5.325
   69   2HN2  OMG   6          2HN2      OMG   6   2.834  -2.231   5.755
   70   1H5*    C   7          1H5*        C   7   6.501  -7.730   4.703
   71   2H5*    C   7          2H5*        C   7   6.274  -9.490   4.710
   72    H4*    C   7           H4*        C   7   4.927  -8.607   6.433
   73    H3*    C   7           H3*        C   7   3.340  -9.519   4.055
   74    H2*    C   7           H2*        C   7   1.317  -8.809   5.144
   75   2HO*    C   7          2HO*        C   7   2.694  -7.958   7.446
   76    H1*    C   7           H1*        C   7   2.335  -6.376   6.086
   77   1H4     C   7          1H4         C   7  -0.236  -4.641   0.578
   78   2H4     C   7          2H4         C   7   1.042  -5.431  -0.319
   79    H5     C   7           H5         C   7   2.782  -6.738   0.745
   80    H6     C   7           H6         C   7   3.641  -7.554   2.879
   81   1H5*    C   8          1H5*        C   8   1.842 -11.005   7.471
   82   2H5*    C   8          2H5*        C   8   1.390 -12.718   7.569
   83    H4*    C   8           H4*        C   8  -0.477 -11.548   8.331
   84    H3*    C   8           H3*        C   8  -0.863 -12.513   5.518
   85    H2*    C   8           H2*        C   8  -2.999 -11.434   5.426
   86   2HO*    C   8          2HO*        C   8  -3.207 -10.317   7.847
   87    H1*    C   8           H1*        C   8  -2.236  -9.101   6.796
   88   1H4     C   8          1H4         C   8  -1.743  -7.223   0.787
   89   2H4     C   8          2H4         C   8  -0.556  -8.456   0.432
   90    H5     C   8           H5         C   8   0.213 -10.059   2.075
   91    H6     C   8           H6         C   8  -0.049 -10.841   4.371
   92    HN1  PSU   9           HN1      PSU   9  -3.214  -9.862   2.818
   93    HN3  PSU   9           HN3      PSU   9  -6.026 -11.215   0.222
   94    H6   PSU   9           H6       PSU   9  -4.647 -10.289   4.692
   95    H1*  PSU   9           H1*      PSU   9  -7.846 -10.631   4.748
   96    H2*  PSU   9           H2*      PSU   9  -7.712 -13.161   3.543
   97   *HO2  PSU   9          *HO2      PSU   9  -9.394 -11.979   4.917
   98    H3*  PSU   9           H3*      PSU   9  -5.787 -13.865   4.833
   99    H4*  PSU   9           H4*      PSU   9  -7.170 -12.739   7.260
  100   1H5*  PSU   9          1H5*      PSU   9  -4.800 -12.013   7.833
  101   2H5*  PSU   9          2H5*      PSU   9  -5.180 -13.744   7.913
  102   1H5*    U  10          1H5*        U  10 -10.096 -15.377   3.025
  103   2H5*    U  10          2H5*        U  10  -9.851 -13.775   3.747
  104    H4*    U  10           H4*        U  10 -12.228 -15.396   3.596
  105    H3*    U  10           H3*        U  10 -11.864 -12.796   3.188
  106    H2*    U  10           H2*        U  10 -11.137 -12.205   5.423
  107   2HO*    U  10          2HO*        U  10 -12.752 -10.930   6.037
  108    H1*    U  10           H1*        U  10 -13.385 -13.945   6.574
  109    H3     U  10           H3         U  10 -11.928 -12.566  10.600
  110    H5     U  10           H5         U  10  -8.535 -14.299   8.833
  111    H6     U  10           H6         U  10  -9.800 -14.513   6.797
  112   1H5*    U  11          1H5*        U  11 -13.454 -11.724   0.188
  113   2H5*    U  11          2H5*        U  11 -11.975 -10.847   0.628
  114    H4*    U  11           H4*        U  11 -14.700  -9.881   0.212
  115    H3*    U  11           H3*        U  11 -12.451  -9.091  -0.929
  116    H2*    U  11           H2*        U  11 -11.222  -8.492   1.064
  117   2HO*    U  11          2HO*        U  11 -11.591  -6.130   1.314
  118    H1*    U  11           H1*        U  11 -13.675  -7.062   2.195
  119    H3     U  11           H3         U  11 -11.943  -6.592   6.252
  120    H5     U  11           H5         U  11 -10.025 -10.059   4.858
  121    H6     U  11           H6         U  11 -11.266  -9.829   2.809
  122   1H5*    U  12          1H5*        U  12 -12.265  -6.358  -4.260
  123   2H5*    U  12          2H5*        U  12 -11.349  -7.871  -4.394
  124    H4*    U  12           H4*        U  12 -10.564  -5.255  -3.206
  125    H3*    U  12           H3*        U  12  -9.774  -6.237  -5.548
  126    H2*    U  12           H2*        U  12  -8.959  -8.375  -4.747
  127   2HO*    U  12          2HO*        U  12  -7.010  -6.409  -5.005
  128    H1*    U  12           H1*        U  12  -7.598  -6.926  -2.408
  129    H3     U  12           H3         U  12  -6.220 -11.367  -2.113
  130    H5     U  12           H5         U  12 -10.055 -11.083  -0.424
  131    H6     U  12           H6         U  12 -10.215  -8.868  -1.351
  132    H1*  OMG  13           H1*      OMG  13  -9.031  -4.885   1.203
  133    H2*  OMG  13           H2*      OMG  13  -7.741  -2.415   1.373
  134    H3*  OMG  13           H3*      OMG  13  -8.297  -1.716  -0.862
  135    H4*  OMG  13           H4*      OMG  13 -11.118  -2.639  -0.411
  136   1HM2  OMG  13          1HM2      OMG  13  -8.480  -3.704   3.289
  137   2HM2  OMG  13          2HM2      OMG  13 -10.091  -4.380   3.064
  138   3HM2  OMG  13          3HM2      OMG  13  -9.871  -2.945   4.062
  139   1H5*  OMG  13          1H5*      OMG  13 -11.173  -3.222  -2.703
  140   2H5*  OMG  13          2H5*      OMG  13 -10.439  -1.612  -2.576
  141    H8   OMG  13           H8       OMG  13  -7.444  -3.804  -2.081
  142    HN1  OMG  13           HN1      OMG  13  -3.611  -7.059   1.896
  143   1HN2  OMG  13          1HN2      OMG  13  -4.558  -7.311   3.841
  144   2HN2  OMG  13          2HN2      OMG  13  -6.154  -6.686   4.187
  145   1H5*    G  14          1H5*        G  14  -9.885  -0.301   2.867
  146   2H5*    G  14          2H5*        G  14  -9.353   1.360   3.198
  147    H4*    G  14           H4*        G  14  -8.958  -0.118   5.092
  148    H3*    G  14           H3*        G  14  -6.537   1.089   3.773
  149    H2*    G  14           H2*        G  14  -5.160  -0.023   5.404
  150   2HO*    G  14          2HO*        G  14  -5.962  -0.691   7.301
  151    H1*    G  14           H1*        G  14  -6.558  -2.461   5.307
  152    H8     G  14           H8         G  14  -6.228  -0.922   1.880
  153    H1     G  14           H1         G  14  -1.146  -4.365   3.744
  154   1H2     G  14          1H2         G  14  -1.308  -4.878   5.867
  155   2H2     G  14          2H2         G  14  -2.670  -4.383   6.848
  156   1H5*    C  15          1H5*        C  15  -5.644   1.105   7.566
  157   2H5*    C  15          2H5*        C  15  -5.727   2.777   8.153
  158    H4*    C  15           H4*        C  15  -3.805   2.123   9.146
  159    H3*    C  15           H3*        C  15  -3.001   3.273   6.496
  160    H2*    C  15           H2*        C  15  -0.715   2.641   6.919
  161   2HO*    C  15          2HO*        C  15  -0.198   2.837   8.987
  162    H1*    C  15           H1*        C  15  -1.283   0.078   7.824
  163   1H4     C  15          1H4         C  15  -0.597  -0.903   1.610
  164   2H4     C  15          2H4         C  15  -2.098  -0.075   1.265
  165    H5     C  15           H5         C  15  -3.433   1.001   2.973
  166    H6     C  15           H6         C  15  -3.595   1.505   5.353
  167   1H5*    U  16          1H5*        U  16   1.373   5.491   7.447
  168   2H5*    U  16          2H5*        U  16   0.342   4.722   6.223
  169    H4*    U  16           H4*        U  16   1.879   3.155   8.280
  170    H3*    U  16           H3*        U  16   2.927   4.237   5.690
  171    H2*    U  16           H2*        U  16   3.964   2.117   5.212
  172   2HO*    U  16          2HO*        U  16   4.525   0.823   6.813
  173    H1*    U  16           H1*        U  16   1.779   0.552   5.924
  174    H3     U  16           H3         U  16   2.724   1.513   1.325
  175    H5     U  16           H5         U  16  -1.022   3.030   2.481
  176    H6     U  16           H6         U  16  -0.388   2.636   4.766
  177   1H5*    A  17          1H5*        A  17   6.072   1.684   5.640
  178   2H5*    A  17          2H5*        A  17   7.123   2.714   6.633
  179    H4*    A  17           H4*        A  17   8.576   2.358   4.971
  180    H3*    A  17           H3*        A  17   6.936   4.654   3.947
  181    H2*    A  17           H2*        A  17   8.123   4.535   1.851
  182   2HO*    A  17          2HO*        A  17   9.767   2.620   3.198
  183    H1*    A  17           H1*        A  17   7.981   1.756   1.618
  184    H8     A  17           H8         A  17   4.882   3.330   3.192
  185   1H6     A  17          1H6         A  17   2.620   3.579  -2.567
  186   2H6     A  17          2H6         A  17   2.257   3.815  -0.873
  187    H2     A  17           H2         A  17   6.904   2.277  -2.810
  188   1H5*    A  18          1H5*        A  18  10.980   4.584   2.841
  189   2H5*    A  18          2H5*        A  18  11.736   6.176   3.053
  190    H4*    A  18           H4*        A  18  12.278   5.237   0.890
  191    H3*    A  18           H3*        A  18  10.612   7.737   0.894
  192    H2*    A  18           H2*        A  18  10.579   7.683  -1.513
  193   2HO*    A  18          2HO*        A  18  12.595   7.043  -2.104
  194    H1*    A  18           H1*        A  18  10.060   4.944  -1.718
  195    H8     A  18           H8         A  18   8.289   6.635   1.205
  196   1H6     A  18          1H6         A  18   3.575   7.510  -2.711
  197   2H6     A  18          2H6         A  18   4.110   7.655  -1.052
  198    H2     A  18           H2         A  18   7.029   5.841  -5.038
  199    H1*  OMG  19           H1*      OMG  19  10.640   9.935  -4.615
  200    H2*  OMG  19           H2*      OMG  19  10.476  12.554  -3.641
  201    H3*  OMG  19           H3*      OMG  19  11.839  12.177  -1.694
  202    H4*  OMG  19           H4*      OMG  19  13.771  10.603  -3.369
  203   1HM2  OMG  19          1HM2      OMG  19  11.259  10.777  -6.546
  204   2HM2  OMG  19          2HM2      OMG  19  10.088  11.951  -5.947
  205   3HM2  OMG  19          3HM2      OMG  19  11.420  12.479  -6.974
  206   1H5*  OMG  19          1H5*      OMG  19  13.992   9.143  -1.456
  207   2H5*  OMG  19          2H5*      OMG  19  14.257  10.835  -0.993
  208    H8   OMG  19           H8       OMG  19  10.441   9.789  -0.882
  209    HN1  OMG  19           HN1      OMG  19   4.769  10.588  -3.769
  210   1HN2  OMG  19          1HN2      OMG  19   5.049  11.066  -5.884
  211   2HN2  OMG  19          2HN2      OMG  19   6.634  11.195  -6.613
  212   1H5*    A  20          1H5*        A  20  11.882  14.085  -5.545
  213   2H5*    A  20          2H5*        A  20  12.199  15.784  -5.138
  214    H4*    A  20           H4*        A  20  10.179  15.421  -6.532
  215    H3*    A  20           H3*        A  20   9.979  16.834  -3.894
  216    H2*    A  20           H2*        A  20   7.616  16.970  -4.104
  217   2HO*    A  20          2HO*        A  20   6.959  17.551  -6.037
  218    H1*    A  20           H1*        A  20   7.277  14.515  -5.560
  219    H8     A  20           H8         A  20   9.218  14.369  -2.291
  220   1H6     A  20          1H6         A  20   3.795  13.036   0.387
  221   2H6     A  20          2H6         A  20   5.523  13.163   0.631
  222    H2     A  20           H2         A  20   3.007  14.104  -3.894
  223    H3T    A  20           H3T        A  20  10.091  18.502  -5.107
  Start of MODEL    7
    1    HN1  PSU   1           HN1      PSU   1   2.342  14.184   1.603
    2    HN3  PSU   1           HN3      PSU   1   5.248  14.972  -1.150
    3    H6   PSU   1           H6       PSU   1   0.636  14.908   0.082
    4    H1*  PSU   1           H1*      PSU   1   1.418  16.479  -3.155
    5    H2*  PSU   1           H2*      PSU   1   0.810  13.746  -3.072
    6   *HO2  PSU   1          *HO2      PSU   1  -0.904  15.597  -4.361
    7    H3*  PSU   1           H3*      PSU   1  -0.859  13.898  -1.358
    8    H4*  PSU   1           H4*      PSU   1  -1.951  16.384  -2.630
    9   1H5*  PSU   1          1H5*      PSU   1  -2.119  17.205  -0.298
   10   2H5*  PSU   1          2H5*      PSU   1  -3.058  15.739  -0.633
   11    H5T  PSU   1           H5T      PSU   1  -0.646  16.031   0.808
   12   1H5*    C   2          1H5*        C   2  -1.911  14.183  -5.825
   13   2H5*    C   2          2H5*        C   2  -2.499  12.580  -6.312
   14    H4*    C   2           H4*        C   2  -1.044  13.553  -7.995
   15    H3*    C   2           H3*        C   2  -0.247  10.991  -6.699
   16    H2*    C   2           H2*        C   2   1.889  10.998  -7.791
   17   2HO*    C   2          2HO*        C   2   0.588  12.224  -9.682
   18    H1*    C   2           H1*        C   2   2.495  13.667  -7.366
   19   1H4     C   2          1H4         C   2   4.852  11.143  -2.072
   20   2H4     C   2          2H4         C   2   3.250  10.797  -1.467
   21    H5     C   2           H5         C   2   1.240  11.206  -2.746
   22    H6     C   2           H6         C   2   0.359  12.005  -4.871
   23   1H5*    U   3          1H5*        U   3   1.178  10.295 -10.377
   24   2H5*    U   3          2H5*        U   3   0.011   9.206 -11.153
   25    H4*    U   3           H4*        U   3   1.934   8.187 -11.760
   26    H3*    U   3           H3*        U   3   1.038   6.930  -9.212
   27    H2*    U   3           H2*        U   3   3.095   5.716  -8.976
   28   2HO*    U   3          2HO*        U   3   4.582   6.454 -11.011
   29    H1*    U   3           H1*        U   3   4.804   7.793  -9.608
   30    H3     U   3           H3         U   3   5.304   7.926  -5.171
   31    H5     U   3           H5         U   3   1.346   9.218  -5.726
   32    H6     U   3           H6         U   3   1.592   8.714  -8.066
   33   1H5*    C   4          1H5*        C   4   2.814   2.719 -11.213
   34   2H5*    C   4          2H5*        C   4   1.556   1.967 -10.212
   35    H4*    C   4           H4*        C   4   4.187   1.693  -9.772
   36    H3*    C   4           H3*        C   4   1.904   1.568  -7.821
   37    H2*    C   4           H2*        C   4   3.486   1.368  -6.026
   38   2HO*    C   4          2HO*        C   4   4.867  -0.017  -7.583
   39    H1*    C   4           H1*        C   4   5.304   3.269  -7.038
   40   1H4     C   4          1H4         C   4   1.849   6.459  -2.779
   41   2H4     C   4          2H4         C   4   0.620   6.760  -3.987
   42    H5     C   4           H5         C   4   0.692   5.791  -6.207
   43    H6     C   4           H6         C   4   1.950   4.335  -7.707
   44    H1*  OMG   5           H1*      OMG   5   6.224  -0.471  -3.747
   45    H2*  OMG   5           H2*      OMG   5   5.626  -2.985  -2.810
   46    H3*  OMG   5           H3*      OMG   5   4.287  -3.678  -4.686
   47    H4*  OMG   5           H4*      OMG   5   6.327  -2.720  -6.636
   48   1HM2  OMG   5          1HM2      OMG   5   9.075  -1.933  -2.978
   49   2HM2  OMG   5          2HM2      OMG   5   8.219  -3.181  -2.076
   50   3HM2  OMG   5          3HM2      OMG   5   7.547  -1.554  -2.185
   51   1H5*  OMG   5          1H5*      OMG   5   4.614  -2.213  -8.050
   52   2H5*  OMG   5          2H5*      OMG   5   3.902  -3.543  -7.115
   53    H8   OMG   5           H8       OMG   5   3.008  -0.659  -5.336
   54    HN1  OMG   5           HN1      OMG   5   2.402  -0.424   1.046
   55   1HN2  OMG   5          1HN2      OMG   5   4.321  -0.829   2.011
   56   2HN2  OMG   5          2HN2      OMG   5   5.774  -1.168   1.098
   57    H1*  OMG   6           H1*      OMG   6   5.384  -3.167   1.045
   58    H2*  OMG   6           H2*      OMG   6   4.050  -5.558   1.652
   59    H3*  OMG   6           H3*      OMG   6   4.633  -6.662  -0.407
   60    H4*  OMG   6           H4*      OMG   6   7.424  -5.579  -0.101
   61   1HM2  OMG   6          1HM2      OMG   6   4.585  -4.430   3.538
   62   2HM2  OMG   6          2HM2      OMG   6   6.165  -4.710   4.269
   63   3HM2  OMG   6          3HM2      OMG   6   5.930  -3.353   3.170
   64   1H5*  OMG   6          1H5*      OMG   6   7.608  -5.567  -2.421
   65   2H5*  OMG   6          2H5*      OMG   6   6.750  -7.073  -2.040
   66    H8   OMG   6           H8       OMG   6   3.872  -4.138  -2.160
   67    HN1  OMG   6           HN1      OMG   6  -0.431  -1.884   2.032
   68   1HN2  OMG   6          1HN2      OMG   6   0.435  -1.781   4.034
   69   2HN2  OMG   6          2HN2      OMG   6   2.083  -2.269   4.365
   70   1H5*    C   7          1H5*        C   7   5.839  -8.267   3.504
   71   2H5*    C   7          2H5*        C   7   5.106  -9.875   3.651
   72    H4*    C   7           H4*        C   7   4.456  -8.394   5.476
   73    H3*    C   7           H3*        C   7   2.286  -9.410   3.665
   74    H2*    C   7           H2*        C   7   0.668  -8.163   4.938
   75   2HO*    C   7          2HO*        C   7   2.796  -7.531   6.740
   76    H1*    C   7           H1*        C   7   2.206  -5.838   5.162
   77   1H4     C   7          1H4         C   7  -1.487  -4.905   0.083
   78   2H4     C   7          2H4         C   7  -0.316  -5.721  -0.928
   79    H5     C   7           H5         C   7   1.653  -6.819  -0.036
   80    H6     C   7           H6         C   7   2.876  -7.372   2.000
   81   1H5*    C   8          1H5*        C   8   1.373 -10.123   7.734
   82   2H5*    C   8          2H5*        C   8   0.906 -11.808   8.039
   83    H4*    C   8           H4*        C   8  -0.577 -10.297   9.190
   84    H3*    C   8           H3*        C   8  -1.720 -12.022   7.045
   85    H2*    C   8           H2*        C   8  -3.856 -10.931   7.182
   86   2HO*    C   8          2HO*        C   8  -3.294  -9.047   9.063
   87    H1*    C   8           H1*        C   8  -2.920  -8.341   7.229
   88   1H4     C   8          1H4         C   8  -3.438  -9.673   1.031
   89   2H4     C   8          2H4         C   8  -1.760 -10.162   1.010
   90    H5     C   8           H5         C   8  -0.411 -10.329   3.013
   91    H6     C   8           H6         C   8  -0.389 -10.023   5.432
   92    HN1  PSU   9           HN1      PSU   9  -3.212 -12.543   3.842
   93    HN3  PSU   9           HN3      PSU   9  -6.057 -11.033   1.336
   94    H6   PSU   9           H6       PSU   9  -4.682 -12.320   5.722
   95    H1*  PSU   9           H1*      PSU   9  -7.941 -10.628   5.483
   96    H2*  PSU   9           H2*      PSU   9  -7.821 -13.441   5.314
   97   *HO2  PSU   9          *HO2      PSU   9  -9.423 -11.583   6.229
   98    H3*  PSU   9           H3*      PSU   9  -6.063 -13.639   6.958
   99    H4*  PSU   9           H4*      PSU   9  -7.551 -11.596   8.600
  100   1H5*  PSU   9          1H5*      PSU   9  -5.160 -10.784   9.040
  101   2H5*  PSU   9          2H5*      PSU   9  -5.706 -12.286   9.812
  102   1H5*    U  10          1H5*        U  10  -9.385 -18.279   8.608
  103   2H5*    U  10          2H5*        U  10  -8.261 -17.970   7.271
  104    H4*    U  10           H4*        U  10 -10.583 -18.188   6.528
  105    H3*    U  10           H3*        U  10  -8.890 -16.470   5.422
  106    H2*    U  10           H2*        U  10  -9.282 -14.601   6.912
  107   2HO*    U  10          2HO*        U  10  -9.743 -13.740   4.892
  108    H1*    U  10           H1*        U  10 -12.298 -15.111   6.722
  109    H3     U  10           H3         U  10 -12.560 -14.224  11.446
  110    H5     U  10           H5         U  10 -10.381 -11.269   9.407
  111    H6     U  10           H6         U  10 -10.311 -12.742   7.505
  112   1H5*    U  11          1H5*        U  11  -9.842 -15.346   0.744
  113   2H5*    U  11          2H5*        U  11 -10.226 -13.946   1.762
  114    H4*    U  11           H4*        U  11 -11.820 -15.242  -0.396
  115    H3*    U  11           H3*        U  11 -10.506 -12.958  -0.589
  116    H2*    U  11           H2*        U  11 -11.397 -11.856   1.369
  117   2HO*    U  11          2HO*        U  11 -12.755 -10.303   0.571
  118    H1*    U  11           H1*        U  11 -14.222 -12.779   0.654
  119    H3     U  11           H3         U  11 -15.952 -11.613   4.569
  120    H5     U  11           H5         U  11 -11.956 -12.435   5.568
  121    H6     U  11           H6         U  11 -11.569 -12.973   3.256
  122   1H5*    U  12          1H5*        U  12 -12.444  -9.548  -1.699
  123   2H5*    U  12          2H5*        U  12 -12.111  -9.726  -3.432
  124    H4*    U  12           H4*        U  12 -11.166  -7.700  -2.114
  125    H3*    U  12           H3*        U  12 -10.477  -8.568  -4.531
  126    H2*    U  12           H2*        U  12  -8.940 -10.306  -3.833
  127   2HO*    U  12          2HO*        U  12  -7.877  -8.399  -5.041
  128    H1*    U  12           H1*        U  12  -7.747  -8.366  -1.778
  129    H3     U  12           H3         U  12  -5.196 -12.331  -1.842
  130    H5     U  12           H5         U  12  -8.356 -12.741   0.894
  131    H6     U  12           H6         U  12  -9.322 -10.745  -0.041
  132    H1*  OMG  13           H1*      OMG  13 -10.680  -6.199   2.236
  133    H2*  OMG  13           H2*      OMG  13  -9.211  -3.874   1.911
  134    H3*  OMG  13           H3*      OMG  13  -9.756  -3.535  -0.410
  135    H4*  OMG  13           H4*      OMG  13 -12.642  -4.092   0.140
  136   1HM2  OMG  13          1HM2      OMG  13 -10.013  -4.687   4.043
  137   2HM2  OMG  13          2HM2      OMG  13 -11.677  -5.259   3.954
  138   3HM2  OMG  13          3HM2      OMG  13 -11.324  -3.685   4.664
  139   1H5*  OMG  13          1H5*      OMG  13 -12.733  -5.142  -1.960
  140   2H5*  OMG  13          2H5*      OMG  13 -11.759  -3.673  -2.169
  141    H8   OMG  13           H8       OMG  13  -9.426  -6.244  -1.288
  142    HN1  OMG  13           HN1      OMG  13  -5.105  -8.072   3.077
  143   1HN2  OMG  13          1HN2      OMG  13  -5.801  -7.600   5.091
  144   2HN2  OMG  13          2HN2      OMG  13  -7.345  -6.832   5.385
  145   1H5*    G  14          1H5*        G  14 -11.007  -1.332   2.831
  146   2H5*    G  14          2H5*        G  14 -10.429   0.344   2.900
  147    H4*    G  14           H4*        G  14  -9.948  -0.870   4.953
  148    H3*    G  14           H3*        G  14  -7.639   0.160   3.344
  149    H2*    G  14           H2*        G  14  -6.095  -0.823   4.907
  150   2HO*    G  14          2HO*        G  14  -8.210  -1.791   6.511
  151    H1*    G  14           H1*        G  14  -7.410  -3.269   5.129
  152    H8     G  14           H8         G  14  -7.838  -2.189   1.592
  153    H1     G  14           H1         G  14  -2.068  -4.710   2.814
  154   1H2     G  14          1H2         G  14  -1.762  -4.909   4.974
  155   2H2     G  14          2H2         G  14  -2.974  -4.426   6.138
  156   1H5*    C  15          1H5*        C  15  -6.470   0.357   7.007
  157   2H5*    C  15          2H5*        C  15  -6.647   2.030   7.572
  158    H4*    C  15           H4*        C  15  -4.695   1.499   8.577
  159    H3*    C  15           H3*        C  15  -3.992   2.700   5.931
  160    H2*    C  15           H2*        C  15  -1.667   2.157   6.252
  161   2HO*    C  15          2HO*        C  15  -1.100   2.344   8.314
  162    H1*    C  15           H1*        C  15  -2.061  -0.448   7.050
  163   1H4     C  15          1H4         C  15  -1.991  -1.103   0.747
  164   2H4     C  15          2H4         C  15  -3.582  -0.393   0.615
  165    H5     C  15           H5         C  15  -4.791   0.499   2.509
  166    H6     C  15           H6         C  15  -4.718   0.895   4.915
  167   1H5*    U  16          1H5*        U  16   0.062   5.143   7.168
  168   2H5*    U  16          2H5*        U  16  -0.032   4.937   5.408
  169    H4*    U  16           H4*        U  16   0.818   3.030   7.522
  170    H3*    U  16           H3*        U  16   1.919   3.927   4.892
  171    H2*    U  16           H2*        U  16   2.824   1.733   4.474
  172   2HO*    U  16          2HO*        U  16   1.807   0.784   6.939
  173    H1*    U  16           H1*        U  16   0.544   0.334   5.150
  174    H3     U  16           H3         U  16   1.527   1.539   0.583
  175    H5     U  16           H5         U  16  -2.214   2.985   1.842
  176    H6     U  16           H6         U  16  -1.564   2.465   4.098
  177   1H5*    A  17          1H5*        A  17   6.151   5.807   6.628
  178   2H5*    A  17          2H5*        A  17   4.897   5.150   5.559
  179    H4*    A  17           H4*        A  17   7.686   4.044   5.864
  180    H3*    A  17           H3*        A  17   6.629   6.047   3.910
  181    H2*    A  17           H2*        A  17   7.752   4.928   2.100
  182   2HO*    A  17          2HO*        A  17   9.138   3.105   2.610
  183    H1*    A  17           H1*        A  17   7.011   2.352   2.818
  184    H8     A  17           H8         A  17   3.943   3.947   3.817
  185   1H6     A  17          1H6         A  17   2.407   4.662  -2.140
  186   2H6     A  17          2H6         A  17   1.821   4.706  -0.492
  187    H2     A  17           H2         A  17   6.761   3.610  -1.941
  188   1H5*    A  18          1H5*        A  18  11.501   5.846   3.383
  189   2H5*    A  18          2H5*        A  18  11.653   7.598   3.148
  190    H4*    A  18           H4*        A  18  12.812   6.086   1.475
  191    H3*    A  18           H3*        A  18  11.086   8.410   0.719
  192    H2*    A  18           H2*        A  18  11.320   7.862  -1.616
  193   2HO*    A  18          2HO*        A  18  13.067   6.839  -2.270
  194    H1*    A  18           H1*        A  18  10.845   5.148  -1.340
  195    H8     A  18           H8         A  18   8.727   6.723   1.283
  196   1H6     A  18          1H6         A  18   4.510   7.787  -3.121
  197   2H6     A  18          2H6         A  18   4.816   7.782  -1.399
  198    H2     A  18           H2         A  18   8.320   6.531  -5.122
  199    H1*  OMG  19           H1*      OMG  19  11.661   9.879  -4.953
  200    H2*  OMG  19           H2*      OMG  19  11.724  12.597  -4.505
  201    H3*  OMG  19           H3*      OMG  19  12.908  12.501  -2.410
  202    H4*  OMG  19           H4*      OMG  19  14.932  10.624  -3.547
  203   1HM2  OMG  19          1HM2      OMG  19  12.985  11.935  -7.684
  204   2HM2  OMG  19          2HM2      OMG  19  12.234  10.504  -6.983
  205   3HM2  OMG  19          3HM2      OMG  19  11.518  12.093  -6.722
  206   1H5*  OMG  19          1H5*      OMG  19  14.771   9.440  -1.448
  207   2H5*  OMG  19          2H5*      OMG  19  15.028  11.176  -1.178
  208    H8   OMG  19           H8       OMG  19  11.633   9.999  -1.274
  209    HN1  OMG  19           HN1      OMG  19   5.990  11.631  -3.849
  210   1HN2  OMG  19          1HN2      OMG  19   6.204  12.001  -5.993
  211   2HN2  OMG  19          2HN2      OMG  19   7.739  11.850  -6.819
  212   1H5*    A  20          1H5*        A  20  14.569  15.570  -5.405
  213   2H5*    A  20          2H5*        A  20  14.434  17.018  -4.388
  214    H4*    A  20           H4*        A  20  13.097  17.014  -6.520
  215    H3*    A  20           H3*        A  20  11.876  17.627  -3.852
  216    H2*    A  20           H2*        A  20   9.721  17.891  -4.910
  217   2HO*    A  20          2HO*        A  20  11.009  17.323  -7.394
  218    H1*    A  20           H1*        A  20   9.843  15.517  -6.300
  219    H8     A  20           H8         A  20  11.880  14.828  -3.270
  220   1H6     A  20          1H6         A  20   6.585  13.847  -0.210
  221   2H6     A  20          2H6         A  20   8.328  13.700  -0.147
  222    H2     A  20           H2         A  20   5.578  15.640  -4.195
  223    H3T    A  20           H3T        A  20  13.229  18.921  -5.650
  Start of MODEL    8
    1    HN1  PSU   1           HN1      PSU   1  -0.153  12.556   1.481
    2    HN3  PSU   1           HN3      PSU   1   2.710  13.346  -1.315
    3    H6   PSU   1           H6       PSU   1  -1.893  12.900  -0.132
    4    H1*  PSU   1           H1*      PSU   1  -1.260  14.292  -3.445
    5    H2*  PSU   1           H2*      PSU   1  -1.307  11.517  -3.411
    6   *HO2  PSU   1          *HO2      PSU   1  -3.516  12.650  -4.645
    7    H3*  PSU   1           H3*      PSU   1  -2.893  11.296  -1.617
    8    H4*  PSU   1           H4*      PSU   1  -4.630  13.406  -2.830
    9   1H5*  PSU   1          1H5*      PSU   1  -4.791  14.236  -0.486
   10   2H5*  PSU   1          2H5*      PSU   1  -5.404  12.595  -0.757
   11    H5T  PSU   1           H5T      PSU   1  -4.049  11.979   0.703
   12   1H5*    C   2          1H5*        C   2  -3.534  11.492  -6.003
   13   2H5*    C   2          2H5*        C   2  -4.159   9.886  -6.427
   14    H4*    C   2           H4*        C   2  -2.736  10.576  -8.180
   15    H3*    C   2           H3*        C   2  -1.626   8.383  -6.480
   16    H2*    C   2           H2*        C   2   0.456   8.436  -7.680
   17   2HO*    C   2          2HO*        C   2   0.657   9.491  -9.622
   18    H1*    C   2           H1*        C   2   0.737  11.196  -7.720
   19   1H4     C   2          1H4         C   2   3.617   9.785  -2.267
   20   2H4     C   2          2H4         C   2   2.091   9.390  -1.510
   21    H5     C   2           H5         C   2  -0.015   9.401  -2.703
   22    H6     C   2           H6         C   2  -1.078   9.768  -4.865
   23   1H5*    U   3          1H5*        U   3  -0.526   7.117 -10.342
   24   2H5*    U   3          2H5*        U   3  -1.624   5.759 -10.660
   25    H4*    U   3           H4*        U   3   0.312   4.862 -11.406
   26    H3*    U   3           H3*        U   3   0.062   4.098  -8.529
   27    H2*    U   3           H2*        U   3   2.279   3.165  -8.523
   28   2HO*    U   3          2HO*        U   3   2.498   3.768 -11.297
   29    H1*    U   3           H1*        U   3   3.515   5.256  -9.851
   30    H3     U   3           H3         U   3   4.787   6.238  -5.671
   31    H5     U   3           H5         U   3   0.678   7.108  -5.671
   32    H6     U   3           H6         U   3   0.561   6.183  -7.891
   33   1H5*    C   4          1H5*        C   4   2.730   1.499 -10.303
   34   2H5*    C   4          2H5*        C   4   1.955  -0.094 -10.222
   35    H4*    C   4           H4*        C   4   4.245  -0.190  -9.441
   36    H3*    C   4           H3*        C   4   2.064  -0.833  -7.502
   37    H2*    C   4           H2*        C   4   3.658  -1.078  -5.716
   38   2HO*    C   4          2HO*        C   4   5.890  -0.447  -7.244
   39    H1*    C   4           H1*        C   4   5.121   1.208  -6.281
   40   1H4     C   4          1H4         C   4   0.656   3.438  -2.384
   41   2H4     C   4          2H4         C   4  -0.533   3.406  -3.666
   42    H5     C   4           H5         C   4  -0.068   2.512  -5.869
   43    H6     C   4           H6         C   4   1.627   1.469  -7.281
   44    H1*  OMG   5           H1*      OMG   5   6.247  -1.511  -3.148
   45    H2*  OMG   5           H2*      OMG   5   5.961  -3.711  -1.490
   46    H3*  OMG   5           H3*      OMG   5   4.441  -4.922  -2.910
   47    H4*  OMG   5           H4*      OMG   5   6.144  -4.349  -5.301
   48   1HM2  OMG   5          1HM2      OMG   5   9.344  -3.113  -2.036
   49   2HM2  OMG   5          2HM2      OMG   5   7.922  -2.605  -1.128
   50   3HM2  OMG   5          3HM2      OMG   5   8.366  -1.765  -2.612
   51   1H5*  OMG   5          1H5*      OMG   5   3.985  -5.557  -5.516
   52   2H5*  OMG   5          2H5*      OMG   5   3.158  -4.073  -5.003
   53    H8   OMG   5           H8       OMG   5   2.800  -2.157  -3.929
   54    HN1  OMG   5           HN1      OMG   5   3.445  -0.244   2.160
   55   1HN2  OMG   5          1HN2      OMG   5   5.537  -0.382   2.787
   56   2HN2  OMG   5          2HN2      OMG   5   6.798  -0.946   1.715
   57    H1*  OMG   6           H1*      OMG   6   5.818  -3.248   3.096
   58    H2*  OMG   6           H2*      OMG   6   4.607  -5.764   3.409
   59    H3*  OMG   6           H3*      OMG   6   5.304  -6.624   1.275
   60    H4*  OMG   6           H4*      OMG   6   8.014  -5.402   1.729
   61   1HM2  OMG   6          1HM2      OMG   6   6.559  -5.022   6.157
   62   2HM2  OMG   6          2HM2      OMG   6   6.516  -3.577   5.149
   63   3HM2  OMG   6          3HM2      OMG   6   5.068  -4.564   5.336
   64   1H5*  OMG   6          1H5*      OMG   6   7.728  -4.766  -0.729
   65   2H5*  OMG   6          2H5*      OMG   6   8.000  -6.471  -0.322
   66    H8   OMG   6           H8       OMG   6   4.280  -4.368  -0.149
   67    HN1  OMG   6           HN1      OMG   6   0.153  -1.676   3.959
   68   1HN2  OMG   6          1HN2      OMG   6   1.084  -1.424   5.921
   69   2HN2  OMG   6          2HN2      OMG   6   2.731  -1.919   6.244
   70   1H5*    C   7          1H5*        C   7   6.233  -7.723   5.275
   71   2H5*    C   7          2H5*        C   7   5.898  -9.461   5.399
   72    H4*    C   7           H4*        C   7   4.728  -8.373   7.147
   73    H3*    C   7           H3*        C   7   2.937  -9.364   4.949
   74    H2*    C   7           H2*        C   7   1.036  -8.483   6.126
   75   2HO*    C   7          2HO*        C   7   2.902  -8.132   8.262
   76    H1*    C   7           H1*        C   7   2.262  -6.062   6.874
   77   1H4     C   7          1H4         C   7  -0.735  -4.363   1.577
   78   2H4     C   7          2H4         C   7   0.411  -5.248   0.595
   79    H5     C   7           H5         C   7   2.170  -6.622   1.537
   80    H6     C   7           H6         C   7   3.189  -7.413   3.608
   81   1H5*    C   8          1H5*        C   8   1.339 -10.719   8.534
   82   2H5*    C   8          2H5*        C   8   1.207 -12.488   8.551
   83    H4*    C   8           H4*        C   8  -0.836 -11.805   9.360
   84    H3*    C   8           H3*        C   8  -1.032 -12.532   6.477
   85    H2*    C   8           H2*        C   8  -3.273 -11.710   6.315
   86   2HO*    C   8          2HO*        C   8  -3.248 -11.282   9.134
   87    H1*    C   8           H1*        C   8  -2.935  -9.397   7.838
   88   1H4     C   8          1H4         C   8  -1.838  -7.057   2.090
   89   2H4     C   8          2H4         C   8  -0.437  -8.079   1.865
   90    H5     C   8           H5         C   8   0.279  -9.710   3.510
   91    H6     C   8           H6         C   8  -0.229 -10.708   5.677
   92    HN1  PSU   9           HN1      PSU   9  -2.948  -9.789   2.269
   93    HN3  PSU   9           HN3      PSU   9  -6.436  -7.681   2.122
   94    H6   PSU   9           H6       PSU   9  -3.571 -10.774   4.359
   95    H1*  PSU   9           H1*      PSU   9  -5.819  -9.734   6.507
   96    H2*  PSU   9           H2*      PSU   9  -7.862 -10.610   4.786
   97   *HO2  PSU   9          *HO2      PSU   9  -7.535 -11.592   7.435
   98    H3*  PSU   9           H3*      PSU   9  -6.746 -12.679   4.231
   99    H4*  PSU   9           H4*      PSU   9  -6.099 -12.956   7.160
  100   1H5*  PSU   9          1H5*      PSU   9  -5.282 -14.842   6.138
  101   2H5*  PSU   9          2H5*      PSU   9  -4.856 -13.980   4.645
  102   1H5*    U  10          1H5*        U  10  -7.761 -11.425   2.709
  103   2H5*    U  10          2H5*        U  10  -9.483 -11.410   3.133
  104    H4*    U  10           H4*        U  10  -9.238 -11.033   0.782
  105    H3*    U  10           H3*        U  10 -11.078 -12.735   1.628
  106    H2*    U  10           H2*        U  10  -9.703 -14.728   1.690
  107   2HO*    U  10          2HO*        U  10 -10.046 -15.401  -0.836
  108    H1*    U  10           H1*        U  10  -8.538 -14.013  -1.049
  109    H3     U  10           H3         U  10  -6.217 -17.844  -0.569
  110    H5     U  10           H5         U  10  -5.092 -15.536   2.754
  111    H6     U  10           H6         U  10  -6.777 -13.940   2.119
  112   1H5*    U  11          1H5*        U  11 -15.167 -11.276  -0.306
  113   2H5*    U  11          2H5*        U  11 -14.558 -11.162  -1.969
  114    H4*    U  11           H4*        U  11 -15.574  -9.103  -1.509
  115    H3*    U  11           H3*        U  11 -13.089  -8.985  -2.405
  116    H2*    U  11           H2*        U  11 -11.939  -9.100  -0.281
  117   2HO*    U  11          2HO*        U  11 -11.385  -7.084  -1.357
  118    H1*    U  11           H1*        U  11 -13.892  -7.071   0.911
  119    H3     U  11           H3         U  11 -12.528  -7.677   5.089
  120    H5     U  11           H5         U  11 -11.676 -11.391   3.321
  121    H6     U  11           H6         U  11 -12.564 -10.528   1.260
  122   1H5*    U  12          1H5*        U  12 -11.092  -5.874  -4.512
  123   2H5*    U  12          2H5*        U  12 -10.083  -7.276  -4.106
  124    H4*    U  12           H4*        U  12 -10.270  -4.678  -2.589
  125    H3*    U  12           H3*        U  12  -8.770  -4.783  -4.733
  126    H2*    U  12           H2*        U  12  -7.800  -6.976  -4.369
  127   2HO*    U  12          2HO*        U  12  -6.197  -4.956  -4.180
  128    H1*    U  12           H1*        U  12  -7.124  -6.266  -1.478
  129    H3     U  12           H3         U  12  -5.596 -10.601  -2.238
  130    H5     U  12           H5         U  12  -9.699 -10.799  -1.355
  131    H6     U  12           H6         U  12  -9.788  -8.408  -1.603
  132    H1*  OMG  13           H1*      OMG  13  -9.435  -4.541   3.185
  133    H2*  OMG  13           H2*      OMG  13  -8.335  -2.005   3.143
  134    H3*  OMG  13           H3*      OMG  13  -8.778  -1.593   0.808
  135    H4*  OMG  13           H4*      OMG  13 -11.597  -2.541   1.176
  136   1HM2  OMG  13          1HM2      OMG  13  -9.162  -3.143   5.139
  137   2HM2  OMG  13          2HM2      OMG  13 -10.722  -3.914   4.856
  138   3HM2  OMG  13          3HM2      OMG  13 -10.640  -2.390   5.734
  139   1H5*  OMG  13          1H5*      OMG  13 -11.323  -3.590  -1.004
  140   2H5*  OMG  13          2H5*      OMG  13 -10.939  -1.858  -1.046
  141    H8   OMG  13           H8       OMG  13  -7.814  -3.392  -0.108
  142    HN1  OMG  13           HN1      OMG  13  -4.082  -6.782   3.851
  143   1HN2  OMG  13          1HN2      OMG  13  -5.098  -7.136   5.749
  144   2HN2  OMG  13          2HN2      OMG  13  -6.714  -6.545   6.065
  145   1H5*    G  14          1H5*        G  14 -10.187  -0.008   4.429
  146   2H5*    G  14          2H5*        G  14  -9.629   1.667   4.602
  147    H4*    G  14           H4*        G  14  -8.979   0.285   6.501
  148    H3*    G  14           H3*        G  14  -6.739   1.399   4.821
  149    H2*    G  14           H2*        G  14  -5.187   0.387   6.352
  150   2HO*    G  14          2HO*        G  14  -7.063  -0.717   8.051
  151    H1*    G  14           H1*        G  14  -6.659  -2.014   6.648
  152    H8     G  14           H8         G  14  -6.504  -0.819   3.069
  153    H1     G  14           H1         G  14  -1.458  -4.312   4.939
  154   1H2     G  14          1H2         G  14  -1.498  -4.614   7.103
  155   2H2     G  14          2H2         G  14  -2.771  -3.972   8.116
  156   1H5*    C  15          1H5*        C  15  -5.545   1.770   8.527
  157   2H5*    C  15          2H5*        C  15  -5.505   3.485   8.980
  158    H4*    C  15           H4*        C  15  -3.534   2.807   9.860
  159    H3*    C  15           H3*        C  15  -2.917   3.731   7.075
  160    H2*    C  15           H2*        C  15  -0.634   3.015   7.342
  161   2HO*    C  15          2HO*        C  15  -0.213   1.986   9.561
  162    H1*    C  15           H1*        C  15  -1.224   0.557   8.497
  163   1H4     C  15          1H4         C  15  -1.107  -0.945   2.355
  164   2H4     C  15          2H4         C  15  -2.580  -0.056   2.055
  165    H5     C  15           H5         C  15  -3.716   1.227   3.768
  166    H6     C  15           H6         C  15  -3.657   1.923   6.104
  167   1H5*    U  16          1H5*        U  16   1.700   5.972   7.973
  168   2H5*    U  16          2H5*        U  16   0.761   5.330   6.611
  169    H4*    U  16           H4*        U  16   2.320   3.690   8.606
  170    H3*    U  16           H3*        U  16   3.124   4.713   5.910
  171    H2*    U  16           H2*        U  16   4.096   2.580   5.367
  172   2HO*    U  16          2HO*        U  16   4.916   2.286   7.588
  173    H1*    U  16           H1*        U  16   1.987   1.036   6.316
  174    H3     U  16           H3         U  16   2.242   1.498   1.655
  175    H5     U  16           H5         U  16  -0.889   3.899   3.102
  176    H6     U  16           H6         U  16  -0.029   3.546   5.320
  177   1H5*    A  17          1H5*        A  17   6.204   2.089   5.751
  178   2H5*    A  17          2H5*        A  17   7.377   3.141   6.569
  179    H4*    A  17           H4*        A  17   8.654   2.602   4.811
  180    H3*    A  17           H3*        A  17   7.037   4.925   3.823
  181    H2*    A  17           H2*        A  17   7.940   4.623   1.613
  182   2HO*    A  17          2HO*        A  17   9.966   3.966   1.583
  183    H1*    A  17           H1*        A  17   7.663   1.850   1.553
  184    H8     A  17           H8         A  17   4.814   3.542   3.417
  185   1H6     A  17          1H6         A  17   1.932   3.792  -2.059
  186   2H6     A  17          2H6         A  17   1.763   4.049  -0.337
  187    H2     A  17           H2         A  17   6.135   2.401  -2.761
  188   1H5*    A  18          1H5*        A  18  11.613   4.921   2.556
  189   2H5*    A  18          2H5*        A  18  11.931   6.665   2.487
  190    H4*    A  18           H4*        A  18  12.621   5.290   0.482
  191    H3*    A  18           H3*        A  18  11.000   7.802   0.270
  192    H2*    A  18           H2*        A  18  10.856   7.509  -2.117
  193   2HO*    A  18          2HO*        A  18  11.994   5.375  -2.823
  194    H1*    A  18           H1*        A  18  10.228   4.801  -2.037
  195    H8     A  18           H8         A  18   8.763   6.793   0.871
  196   1H6     A  18          1H6         A  18   3.750   7.481  -2.696
  197   2H6     A  18          2H6         A  18   4.428   7.754  -1.107
  198    H2     A  18           H2         A  18   6.942   5.503  -5.147
  199    H1*  OMG  19           H1*      OMG  19  10.532   9.438  -5.327
  200    H2*  OMG  19           H2*      OMG  19  10.463  12.139  -4.579
  201    H3*  OMG  19           H3*      OMG  19  12.000  11.922  -2.741
  202    H4*  OMG  19           H4*      OMG  19  13.749  10.170  -4.442
  203   1HM2  OMG  19          1HM2      OMG  19  10.958  10.104  -7.376
  204   2HM2  OMG  19          2HM2      OMG  19   9.856  11.341  -6.773
  205   3HM2  OMG  19          3HM2      OMG  19  11.086  11.761  -7.963
  206   1H5*  OMG  19          1H5*      OMG  19  14.154   8.894  -2.429
  207   2H5*  OMG  19          2H5*      OMG  19  14.477  10.619  -2.162
  208    H8   OMG  19           H8       OMG  19  10.634   9.629  -1.593
  209    HN1  OMG  19           HN1      OMG  19   4.752  10.266  -4.070
  210   1HN2  OMG  19          1HN2      OMG  19   4.860  10.554  -6.237
  211   2HN2  OMG  19          2HN2      OMG  19   6.382  10.591  -7.099
  212   1H5*    A  20          1H5*        A  20  11.738  13.463  -6.734
  213   2H5*    A  20          2H5*        A  20  12.122  15.184  -6.531
  214    H4*    A  20           H4*        A  20   9.999  14.759  -7.725
  215    H3*    A  20           H3*        A  20  10.011  16.392  -5.209
  216    H2*    A  20           H2*        A  20   7.639  16.564  -5.266
  217   2HO*    A  20          2HO*        A  20   8.073  16.711  -7.848
  218    H1*    A  20           H1*        A  20   7.153  13.997  -6.450
  219    H8     A  20           H8         A  20   9.368  14.121  -3.355
  220   1H6     A  20          1H6         A  20   4.185  13.114  -0.121
  221   2H6     A  20          2H6         A  20   5.927  13.239  -0.035
  222    H2     A  20           H2         A  20   3.042  13.796  -4.402
  223    H3T    A  20           H3T        A  20  10.819  16.958  -7.381
  Start of MODEL    9
    1    HN1  PSU   1           HN1      PSU   1   1.945  14.613   1.998
    2    HN3  PSU   1           HN3      PSU   1   4.951  15.380  -0.648
    3    H6   PSU   1           H6       PSU   1   0.291  15.196   0.363
    4    H1*  PSU   1           H1*      PSU   1   1.182  16.663  -2.896
    5    H2*  PSU   1           H2*      PSU   1   0.648  13.916  -2.736
    6   *HO2  PSU   1          *HO2      PSU   1  -0.274  16.101  -4.227
    7    H3*  PSU   1           H3*      PSU   1  -1.088  14.087  -1.089
    8    H4*  PSU   1           H4*      PSU   1  -2.212  16.476  -2.509
    9   1H5*  PSU   1          1H5*      PSU   1  -2.647  17.375  -0.314
   10   2H5*  PSU   1          2H5*      PSU   1  -3.300  15.733  -0.460
   11    H5T  PSU   1           H5T      PSU   1  -2.162  16.056   1.506
   12   1H5*    C   2          1H5*        C   2  -1.904  14.200  -5.555
   13   2H5*    C   2          2H5*        C   2  -2.494  12.595  -6.029
   14    H4*    C   2           H4*        C   2  -0.982  13.468  -7.691
   15    H3*    C   2           H3*        C   2  -0.135  11.014  -6.211
   16    H2*    C   2           H2*        C   2   1.998  11.020  -7.318
   17   2HO*    C   2          2HO*        C   2   2.093  13.083  -8.860
   18    H1*    C   2           H1*        C   2   2.499  13.738  -7.046
   19   1H4     C   2          1H4         C   2   5.041  11.519  -1.697
   20   2H4     C   2          2H4         C   2   3.461  11.175  -1.034
   21    H5     C   2           H5         C   2   1.411  11.489  -2.282
   22    H6     C   2           H6         C   2   0.466  12.160  -4.426
   23   1H5*    U   3          1H5*        U   3   1.073  10.114 -10.111
   24   2H5*    U   3          2H5*        U   3  -0.130   8.931 -10.663
   25    H4*    U   3           H4*        U   3   1.788   7.993 -11.447
   26    H3*    U   3           H3*        U   3   1.152   6.771  -8.803
   27    H2*    U   3           H2*        U   3   3.257   5.615  -8.734
   28   2HO*    U   3          2HO*        U   3   4.320   6.557 -11.075
   29    H1*    U   3           H1*        U   3   4.840   7.733  -9.524
   30    H3     U   3           H3         U   3   5.647   7.946  -5.129
   31    H5     U   3           H5         U   3   1.637   9.157  -5.433
   32    H6     U   3           H6         U   3   1.734   8.621  -7.777
   33   1H5*    C   4          1H5*        C   4   3.717   3.536 -10.737
   34   2H5*    C   4          2H5*        C   4   2.625   2.193 -10.351
   35    H4*    C   4           H4*        C   4   4.998   2.216  -9.356
   36    H3*    C   4           H3*        C   4   2.492   1.484  -7.895
   37    H2*    C   4           H2*        C   4   3.712   1.280  -5.834
   38   2HO*    C   4          2HO*        C   4   5.952   1.387  -7.583
   39    H1*    C   4           H1*        C   4   5.208   3.604  -6.122
   40   1H4     C   4          1H4         C   4   0.044   5.540  -2.988
   41   2H4     C   4          2H4         C   4  -0.817   5.735  -4.499
   42    H5     C   4           H5         C   4   0.112   5.073  -6.636
   43    H6     C   4           H6         C   4   2.041   4.077  -7.749
   44    H1*  OMG   5           H1*      OMG   5   6.733  -0.510  -3.785
   45    H2*  OMG   5           H2*      OMG   5   6.187  -2.997  -2.744
   46    H3*  OMG   5           H3*      OMG   5   4.878  -3.799  -4.597
   47    H4*  OMG   5           H4*      OMG   5   6.909  -2.867  -6.570
   48   1HM2  OMG   5          1HM2      OMG   5   8.753  -3.018  -1.959
   49   2HM2  OMG   5          2HM2      OMG   5   8.067  -1.416  -2.225
   50   3HM2  OMG   5          3HM2      OMG   5   9.612  -1.847  -2.957
   51   1H5*  OMG   5          1H5*      OMG   5   5.244  -2.719  -8.039
   52   2H5*  OMG   5          2H5*      OMG   5   4.353  -3.703  -6.860
   53    H8   OMG   5           H8       OMG   5   3.517  -0.848  -5.358
   54    HN1  OMG   5           HN1      OMG   5   2.906  -0.342   1.005
   55   1HN2  OMG   5          1HN2      OMG   5   4.835  -0.685   1.989
   56   2HN2  OMG   5          2HN2      OMG   5   6.293  -1.040   1.089
   57    H1*  OMG   6           H1*      OMG   6   5.738  -3.168   1.193
   58    H2*  OMG   6           H2*      OMG   6   4.396  -5.583   1.678
   59    H3*  OMG   6           H3*      OMG   6   5.131  -6.661  -0.346
   60    H4*  OMG   6           H4*      OMG   6   7.883  -5.546   0.143
   61   1HM2  OMG   6          1HM2      OMG   6   6.323  -4.749   4.444
   62   2HM2  OMG   6          2HM2      OMG   6   6.066  -3.387   3.356
   63   3HM2  OMG   6          3HM2      OMG   6   4.771  -4.550   3.633
   64   1H5*  OMG   6          1H5*      OMG   6   8.166  -5.446  -2.186
   65   2H5*  OMG   6          2H5*      OMG   6   7.405  -7.011  -1.841
   66    H8   OMG   6           H8       OMG   6   4.446  -4.159  -2.112
   67    HN1  OMG   6           HN1      OMG   6  -0.121  -1.886   1.778
   68   1HN2  OMG   6          1HN2      OMG   6   0.610  -1.777   3.833
   69   2HN2  OMG   6          2HN2      OMG   6   2.234  -2.259   4.275
   70   1H5*    C   7          1H5*        C   7   6.098  -8.260   3.622
   71   2H5*    C   7          2H5*        C   7   5.375  -9.878   3.724
   72    H4*    C   7           H4*        C   7   4.587  -8.398   5.497
   73    H3*    C   7           H3*        C   7   2.553  -9.442   3.546
   74    H2*    C   7           H2*        C   7   0.842  -8.214   4.716
   75   2HO*    C   7          2HO*        C   7   2.607  -7.156   6.610
   76    H1*    C   7           H1*        C   7   2.323  -5.865   5.002
   77   1H4     C   7          1H4         C   7  -1.023  -5.103  -0.344
   78   2H4     C   7          2H4         C   7   0.235  -5.908  -1.254
   79    H5     C   7           H5         C   7   2.160  -6.943  -0.207
   80    H6     C   7           H6         C   7   3.249  -7.431   1.921
   81   1H5*    C   8          1H5*        C   8   1.465  -9.604   7.664
   82   2H5*    C   8          2H5*        C   8   1.022 -11.270   8.087
   83    H4*    C   8           H4*        C   8  -0.416  -9.633   9.176
   84    H3*    C   8           H3*        C   8  -1.608 -11.635   7.317
   85    H2*    C   8           H2*        C   8  -3.775 -10.607   7.461
   86   2HO*    C   8          2HO*        C   8  -2.668  -8.818   9.395
   87    H1*    C   8           H1*        C   8  -2.929  -7.997   7.157
   88   1H4     C   8          1H4         C   8  -3.780 -10.005   1.185
   89   2H4     C   8          2H4         C   8  -2.088 -10.444   1.107
   90    H5     C   8           H5         C   8  -0.613 -10.345   3.027
   91    H6     C   8           H6         C   8  -0.469  -9.829   5.406
   92    HN1  PSU   9           HN1      PSU   9  -3.170 -12.550   4.349
   93    HN3  PSU   9           HN3      PSU   9  -6.394 -12.128   1.885
   94    H6   PSU   9           H6       PSU   9  -4.585 -12.536   6.284
   95    H1*  PSU   9           H1*      PSU   9  -8.262 -12.038   6.025
   96    H2*  PSU   9           H2*      PSU   9  -6.875 -14.452   6.521
   97   *HO2  PSU   9          *HO2      PSU   9  -8.875 -13.129   8.081
   98    H3*  PSU   9           H3*      PSU   9  -5.315 -13.536   8.086
   99    H4*  PSU   9           H4*      PSU   9  -7.486 -11.804   9.229
  100   1H5*  PSU   9          1H5*      PSU   9  -5.413 -10.119   8.828
  101   2H5*  PSU   9          2H5*      PSU   9  -5.687 -11.059  10.308
  102   1H5*    U  10          1H5*        U  10  -7.696 -17.926   7.838
  103   2H5*    U  10          2H5*        U  10  -7.547 -16.662   6.602
  104    H4*    U  10           H4*        U  10  -9.641 -18.290   6.771
  105    H3*    U  10           H3*        U  10  -9.189 -16.243   5.135
  106    H2*    U  10           H2*        U  10  -9.743 -14.456   6.675
  107   2HO*    U  10          2HO*        U  10 -11.169 -14.333   4.823
  108    H1*    U  10           H1*        U  10 -12.212 -16.042   7.568
  109    H3     U  10           H3         U  10 -12.914 -12.262  10.002
  110    H5     U  10           H5         U  10  -9.420 -13.969  11.589
  111    H6     U  10           H6         U  10  -9.435 -15.520   9.749
  112   1H5*    U  11          1H5*        U  11 -10.093 -16.142   1.222
  113   2H5*    U  11          2H5*        U  11  -9.862 -14.538   1.945
  114    H4*    U  11           H4*        U  11 -12.010 -15.559   0.187
  115    H3*    U  11           H3*        U  11 -10.198 -13.719  -0.378
  116    H2*    U  11           H2*        U  11 -10.586 -12.237   1.490
  117   2HO*    U  11          2HO*        U  11 -12.537 -11.432  -0.440
  118    H1*    U  11           H1*        U  11 -13.609 -12.472   1.105
  119    H3     U  11           H3         U  11 -14.597 -10.529   4.967
  120    H5     U  11           H5         U  11 -10.835 -12.221   5.757
  121    H6     U  11           H6         U  11 -10.829 -13.068   3.506
  122   1H5*    U  12          1H5*        U  12 -12.863 -11.482  -5.135
  123   2H5*    U  12          2H5*        U  12 -11.150 -11.914  -4.964
  124    H4*    U  12           H4*        U  12 -11.373  -9.546  -5.273
  125    H3*    U  12           H3*        U  12  -9.767 -10.551  -3.375
  126    H2*    U  12           H2*        U  12 -11.242 -10.429  -1.501
  127   2HO*    U  12          2HO*        U  12 -10.274  -8.920  -0.353
  128    H1*    U  12           H1*        U  12 -12.325  -7.733  -2.455
  129    H3     U  12           H3         U  12 -16.681  -9.736  -1.441
  130    H5     U  12           H5         U  12 -14.043  -9.590   1.823
  131    H6     U  12           H6         U  12 -12.274  -9.085   0.271
  132    H1*  OMG  13           H1*      OMG  13 -10.361  -6.450   1.257
  133    H2*  OMG  13           H2*      OMG  13  -8.899  -4.158   0.828
  134    H3*  OMG  13           H3*      OMG  13  -9.296  -4.019  -1.545
  135    H4*  OMG  13           H4*      OMG  13 -12.223  -4.464  -1.164
  136   1HM2  OMG  13          1HM2      OMG  13  -9.857  -4.806   2.965
  137   2HM2  OMG  13          2HM2      OMG  13 -11.514  -5.377   2.791
  138   3HM2  OMG  13          3HM2      OMG  13 -11.202  -3.761   3.419
  139   1H5*  OMG  13          1H5*      OMG  13 -12.207  -5.667  -3.150
  140   2H5*  OMG  13          2H5*      OMG  13 -11.047  -4.351  -3.416
  141    H8   OMG  13           H8       OMG  13  -9.053  -6.657  -2.259
  142    HN1  OMG  13           HN1      OMG  13  -4.845  -8.402   2.247
  143   1HN2  OMG  13          1HN2      OMG  13  -5.571  -7.855   4.231
  144   2HN2  OMG  13          2HN2      OMG  13  -7.109  -7.057   4.471
  145   1H5*    G  14          1H5*        G  14 -10.728  -1.601   1.429
  146   2H5*    G  14          2H5*        G  14 -10.142   0.074   1.444
  147    H4*    G  14           H4*        G  14  -9.832  -1.023   3.596
  148    H3*    G  14           H3*        G  14  -7.394  -0.094   2.119
  149    H2*    G  14           H2*        G  14  -5.993  -0.980   3.866
  150   2HO*    G  14          2HO*        G  14  -8.293  -1.800   5.313
  151    H1*    G  14           H1*        G  14  -7.327  -3.414   4.102
  152    H8     G  14           H8         G  14  -7.475  -2.523   0.492
  153    H1     G  14           H1         G  14  -1.813  -4.941   2.291
  154   1H2     G  14          1H2         G  14  -1.677  -5.024   4.477
  155   2H2     G  14          2H2         G  14  -2.978  -4.489   5.516
  156   1H5*    C  15          1H5*        C  15  -6.653   0.298   5.959
  157   2H5*    C  15          2H5*        C  15  -6.792   2.017   6.377
  158    H4*    C  15           H4*        C  15  -5.006   1.382   7.648
  159    H3*    C  15           H3*        C  15  -3.983   2.566   5.100
  160    H2*    C  15           H2*        C  15  -1.720   1.980   5.688
  161   2HO*    C  15          2HO*        C  15  -1.190   1.776   7.740
  162    H1*    C  15           H1*        C  15  -2.258  -0.616   6.430
  163   1H4     C  15          1H4         C  15  -1.451  -1.264   0.179
  164   2H4     C  15          2H4         C  15  -3.014  -0.551  -0.137
  165    H5     C  15           H5         C  15  -4.433   0.347   1.607
  166    H6     C  15           H6         C  15  -4.635   0.747   4.005
  167   1H5*    U  16          1H5*        U  16   0.349   4.991   7.171
  168   2H5*    U  16          2H5*        U  16  -0.426   4.669   5.607
  169    H4*    U  16           H4*        U  16   0.618   2.552   7.484
  170    H3*    U  16           H3*        U  16   2.017   3.926   5.213
  171    H2*    U  16           H2*        U  16   2.918   1.816   4.496
  172   2HO*    U  16          2HO*        U  16   1.944   0.923   7.025
  173    H1*    U  16           H1*        U  16   0.555   0.354   4.844
  174    H3     U  16           H3         U  16   2.041   1.602   0.471
  175    H5     U  16           H5         U  16  -1.654   3.371   1.402
  176    H6     U  16           H6         U  16  -1.290   2.738   3.693
  177   1H5*    A  17          1H5*        A  17   6.749   4.064   7.182
  178   2H5*    A  17          2H5*        A  17   6.501   5.538   6.226
  179    H4*    A  17           H4*        A  17   8.233   3.497   5.640
  180    H3*    A  17           H3*        A  17   7.152   5.762   4.005
  181    H2*    A  17           H2*        A  17   8.032   4.763   2.001
  182   2HO*    A  17          2HO*        A  17   9.095   2.483   2.823
  183    H1*    A  17           H1*        A  17   7.197   2.168   2.559
  184    H8     A  17           H8         A  17   4.312   3.844   3.906
  185   1H6     A  17          1H6         A  17   2.410   5.136  -1.843
  186   2H6     A  17          2H6         A  17   1.945   5.074  -0.158
  187    H2     A  17           H2         A  17   6.696   3.835  -2.054
  188   1H5*    A  18          1H5*        A  18  12.000   5.575   3.326
  189   2H5*    A  18          2H5*        A  18  12.202   7.336   3.236
  190    H4*    A  18           H4*        A  18  13.314   5.939   1.438
  191    H3*    A  18           H3*        A  18  11.674   8.377   0.916
  192    H2*    A  18           H2*        A  18  11.797   8.032  -1.462
  193   2HO*    A  18          2HO*        A  18  13.061   5.945  -2.024
  194    H1*    A  18           H1*        A  18  11.203   5.335  -1.428
  195    H8     A  18           H8         A  18   9.365   6.873   1.463
  196   1H6     A  18          1H6         A  18   4.848   8.240  -2.541
  197   2H6     A  18          2H6         A  18   5.299   8.179  -0.852
  198    H2     A  18           H2         A  18   8.407   6.847  -4.886
  199    H1*  OMG  19           H1*      OMG  19  11.885  10.247  -4.660
  200    H2*  OMG  19           H2*      OMG  19  12.024  12.925  -3.925
  201    H3*  OMG  19           H3*      OMG  19  13.343  12.592  -1.942
  202    H4*  OMG  19           H4*      OMG  19  15.157  10.721  -3.414
  203   1HM2  OMG  19          1HM2      OMG  19  12.585  10.852  -6.651
  204   2HM2  OMG  19          2HM2      OMG  19  11.576  12.213  -6.165
  205   3HM2  OMG  19          3HM2      OMG  19  12.955  12.474  -7.230
  206   1H5*  OMG  19          1H5*      OMG  19  15.147   9.391  -1.394
  207   2H5*  OMG  19          2H5*      OMG  19  15.545  11.084  -1.040
  208    H8   OMG  19           H8       OMG  19  11.844  10.172  -0.957
  209    HN1  OMG  19           HN1      OMG  19   6.210  11.866  -3.512
  210   1HN2  OMG  19          1HN2      OMG  19   6.441  12.324  -5.640
  211   2HN2  OMG  19          2HN2      OMG  19   7.985  12.217  -6.457
  212   1H5*    A  20          1H5*        A  20  13.648  14.120  -5.303
  213   2H5*    A  20          2H5*        A  20  14.567  15.635  -5.401
  214    H4*    A  20           H4*        A  20  12.698  16.040  -6.699
  215    H3*    A  20           H3*        A  20  12.338  17.243  -3.979
  216    H2*    A  20           H2*        A  20  10.126  17.962  -4.582
  217   2HO*    A  20          2HO*        A  20  10.317  16.882  -7.169
  218    H1*    A  20           H1*        A  20   9.371  15.570  -5.809
  219    H8     A  20           H8         A  20  11.614  15.158  -2.742
  220   1H6     A  20          1H6         A  20   6.352  14.653   0.487
  221   2H6     A  20          2H6         A  20   8.096  14.520   0.556
  222    H2     A  20           H2         A  20   5.302  15.799  -3.718
  223    H3T    A  20           H3T        A  20  12.248  19.051  -5.645
  Start of MODEL   10
    1    HN1  PSU   1           HN1      PSU   1  -0.391  13.792  -0.821
    2    HN3  PSU   1           HN3      PSU   1   3.038  14.534  -2.903
    3    H6   PSU   1           H6       PSU   1  -1.713  14.066  -2.802
    4    H1*  PSU   1           H1*      PSU   1  -0.293  15.314  -5.952
    5    H2*  PSU   1           H2*      PSU   1  -0.555  12.553  -5.701
    6   *HO2  PSU   1          *HO2      PSU   1  -1.329  14.525  -7.478
    7    H3*  PSU   1           H3*      PSU   1  -2.540  12.595  -4.347
    8    H4*  PSU   1           H4*      PSU   1  -3.736  14.701  -6.106
    9   1H5*  PSU   1          1H5*      PSU   1  -4.362  15.744  -3.900
   10   2H5*  PSU   1          2H5*      PSU   1  -5.104  14.180  -4.286
   11    H5T  PSU   1           H5T      PSU   1  -4.184  13.377  -2.592
   12   1H5*    C   2          1H5*        C   2  -2.412  12.256  -8.928
   13   2H5*    C   2          2H5*        C   2  -2.804  10.554  -9.241
   14    H4*    C   2           H4*        C   2  -1.044  11.302 -10.707
   15    H3*    C   2           H3*        C   2  -0.384   9.167  -8.726
   16    H2*    C   2           H2*        C   2   1.929   9.194  -9.373
   17   2HO*    C   2          2HO*        C   2   0.899  10.675 -11.564
   18    H1*    C   2           H1*        C   2   2.221  11.955  -9.455
   19   1H4     C   2          1H4         C   2   3.718  10.800  -3.419
   20   2H4     C   2          2H4         C   2   2.060  10.397  -3.036
   21    H5     C   2           H5         C   2   0.303  10.322  -4.697
   22    H6     C   2           H6         C   2  -0.213  10.580  -7.063
   23   1H5*    U   3          1H5*        U   3   1.731   7.765 -11.683
   24   2H5*    U   3          2H5*        U   3   0.919   6.340 -12.361
   25    H4*    U   3           H4*        U   3   3.015   5.518 -12.162
   26    H3*    U   3           H3*        U   3   1.599   4.858  -9.612
   27    H2*    U   3           H2*        U   3   3.634   4.023  -8.647
   28   2HO*    U   3          2HO*        U   3   5.179   4.538 -10.919
   29    H1*    U   3           H1*        U   3   5.283   6.083  -9.530
   30    H3     U   3           H3         U   3   4.973   7.376  -5.271
   31    H5     U   3           H5         U   3   1.059   7.886  -6.706
   32    H6     U   3           H6         U   3   1.766   6.870  -8.771
   33   1H5*    C   4          1H5*        C   4   4.528   2.156  -9.663
   34   2H5*    C   4          2H5*        C   4   3.773   0.557  -9.514
   35    H4*    C   4           H4*        C   4   5.426   1.033  -7.752
   36    H3*    C   4           H3*        C   4   2.588   0.421  -6.993
   37    H2*    C   4           H2*        C   4   3.148   0.718  -4.674
   38   2HO*    C   4          2HO*        C   4   5.864   1.139  -5.406
   39    H1*    C   4           H1*        C   4   4.693   3.020  -5.035
   40   1H4     C   4          1H4         C   4  -1.092   5.253  -3.702
   41   2H4     C   4          2H4         C   4  -1.557   5.092  -5.381
   42    H5     C   4           H5         C   4  -0.134   4.055  -7.046
   43    H6     C   4           H6         C   4   2.025   2.989  -7.439
   44    H1*  OMG   5           H1*      OMG   5   5.399  -0.532  -3.358
   45    H2*  OMG   5           H2*      OMG   5   5.338  -2.981  -2.059
   46    H3*  OMG   5           H3*      OMG   5   3.629  -3.973  -3.433
   47    H4*  OMG   5           H4*      OMG   5   4.978  -2.969  -5.909
   48   1HM2  OMG   5          1HM2      OMG   5   7.570  -0.912  -2.912
   49   2HM2  OMG   5          2HM2      OMG   5   8.638  -2.311  -3.002
   50   3HM2  OMG   5          3HM2      OMG   5   7.419  -2.214  -1.733
   51   1H5*  OMG   5          1H5*      OMG   5   2.517  -4.078  -5.481
   52   2H5*  OMG   5          2H5*      OMG   5   2.146  -2.344  -5.553
   53    H8   OMG   5           H8       OMG   5   1.868  -1.105  -3.715
   54    HN1  OMG   5           HN1      OMG   5   3.425  -0.168   2.436
   55   1HN2  OMG   5          1HN2      OMG   5   5.587  -0.376   2.719
   56   2HN2  OMG   5          2HN2      OMG   5   6.671  -0.744   1.395
   57    H1*  OMG   6           H1*      OMG   6   5.612  -3.419   2.381
   58    H2*  OMG   6           H2*      OMG   6   4.360  -5.924   2.485
   59    H3*  OMG   6           H3*      OMG   6   4.776  -6.495   0.186
   60    H4*  OMG   6           H4*      OMG   6   7.574  -5.436   0.467
   61   1HM2  OMG   6          1HM2      OMG   6   5.040  -5.285   4.542
   62   2HM2  OMG   6          2HM2      OMG   6   6.680  -5.676   5.053
   63   3HM2  OMG   6          3HM2      OMG   6   6.330  -4.102   4.344
   64   1H5*  OMG   6          1H5*      OMG   6   6.986  -4.416  -1.819
   65   2H5*  OMG   6          2H5*      OMG   6   7.277  -6.163  -1.697
   66    H8   OMG   6           H8       OMG   6   3.774  -3.966  -0.837
   67    HN1  OMG   6           HN1      OMG   6   0.054  -2.004   4.007
   68   1HN2  OMG   6          1HN2      OMG   6   1.144  -2.112   5.899
   69   2HN2  OMG   6          2HN2      OMG   6   2.800  -2.670   5.992
   70   1H5*    C   7          1H5*        C   7   6.128  -8.369   3.792
   71   2H5*    C   7          2H5*        C   7   5.668 -10.077   3.659
   72    H4*    C   7           H4*        C   7   4.810  -9.198   5.706
   73    H3*    C   7           H3*        C   7   2.727  -9.834   3.640
   74    H2*    C   7           H2*        C   7   1.018  -9.080   5.158
   75   2HO*    C   7          2HO*        C   7   1.349  -9.233   7.256
   76    H1*    C   7           H1*        C   7   2.388  -6.788   6.006
   77   1H4     C   7          1H4         C   7  -1.148  -4.580   1.246
   78   2H4     C   7          2H4         C   7  -0.054  -5.271   0.068
   79    H5     C   7           H5         C   7   1.827  -6.669   0.681
   80    H6     C   7           H6         C   7   3.040  -7.676   2.543
   81   1H5*    C   8          1H5*        C   8   1.789 -11.642   7.220
   82   2H5*    C   8          2H5*        C   8   1.272 -13.338   7.145
   83    H4*    C   8           H4*        C   8  -0.335 -12.209   8.430
   84    H3*    C   8           H3*        C   8  -1.300 -12.898   5.682
   85    H2*    C   8           H2*        C   8  -3.374 -11.757   6.088
   86   2HO*    C   8          2HO*        C   8  -2.893 -12.468   8.578
   87    H1*    C   8           H1*        C   8  -2.280  -9.517   7.319
   88   1H4     C   8          1H4         C   8  -2.440  -7.595   1.305
   89   2H4     C   8          2H4         C   8  -1.209  -8.749   0.842
   90    H5     C   8           H5         C   8  -0.269 -10.359   2.390
   91    H6     C   8           H6         C   8  -0.354 -11.213   4.674
   92    HN1  PSU   9           HN1      PSU   9  -3.198 -11.591   2.293
   93    HN3  PSU   9           HN3      PSU   9  -6.193  -9.217   0.868
   94    H6   PSU   9           H6       PSU   9  -4.469 -12.101   4.258
   95    H1*  PSU   9           H1*      PSU   9  -7.615 -10.416   5.066
   96    H2*  PSU   9           H2*      PSU   9  -7.762 -12.912   3.714
   97   *HO2  PSU   9          *HO2      PSU   9  -9.336 -11.574   5.029
   98    H3*  PSU   9           H3*      PSU   9  -6.002 -13.915   5.016
   99    H4*  PSU   9           H4*      PSU   9  -7.191 -12.541   7.422
  100   1H5*  PSU   9          1H5*      PSU   9  -4.726 -12.227   8.002
  101   2H5*  PSU   9          2H5*      PSU   9  -5.420 -13.854   8.139
  102   1H5*    U  10          1H5*        U  10  -8.088 -17.620   3.254
  103   2H5*    U  10          2H5*        U  10  -7.552 -16.535   1.956
  104    H4*    U  10           H4*        U  10  -9.778 -17.115   1.470
  105    H3*    U  10           H3*        U  10  -9.210 -14.534   1.466
  106    H2*    U  10           H2*        U  10  -9.618 -14.086   3.811
  107   2HO*    U  10          2HO*        U  10 -12.136 -13.806   2.480
  108    H1*    U  10           H1*        U  10 -12.216 -15.700   3.671
  109    H3     U  10           H3         U  10 -11.020 -17.617   7.925
  110    H5     U  10           H5         U  10 -10.662 -13.432   7.920
  111    H6     U  10           H6         U  10 -10.858 -13.495   5.523
  112   1H5*    U  11          1H5*        U  11 -10.264 -11.702   0.589
  113   2H5*    U  11          2H5*        U  11 -11.438 -12.937   1.083
  114    H4*    U  11           H4*        U  11 -12.362 -12.043  -1.375
  115    H3*    U  11           H3*        U  11 -10.780  -9.978  -0.918
  116    H2*    U  11           H2*        U  11 -11.401  -9.540   1.376
  117   2HO*    U  11          2HO*        U  11 -12.593  -7.679   1.292
  118    H1*    U  11           H1*        U  11 -14.359  -9.866   0.684
  119    H3     U  11           H3         U  11 -15.679  -9.972   4.918
  120    H5     U  11           H5         U  11 -11.770 -11.490   5.162
  121    H6     U  11           H6         U  11 -11.600 -11.224   2.778
  122   1H5*    U  12          1H5*        U  12 -11.701  -7.315  -0.675
  123   2H5*    U  12          2H5*        U  12 -12.895  -6.821  -1.892
  124    H4*    U  12           H4*        U  12 -11.977  -4.816  -1.250
  125    H3*    U  12           H3*        U  12 -11.621  -5.281  -3.812
  126    H2*    U  12           H2*        U  12  -9.553  -6.441  -3.880
  127   2HO*    U  12          2HO*        U  12  -7.989  -4.298  -3.395
  128    H1*    U  12           H1*        U  12  -8.159  -4.973  -1.681
  129    H3     U  12           H3         U  12  -6.182  -9.062  -2.955
  130    H5     U  12           H5         U  12  -8.697  -9.671   0.353
  131    H6     U  12           H6         U  12  -9.593  -7.468  -0.020
  132    H1*  OMG  13           H1*      OMG  13  -9.688  -4.994   3.474
  133    H2*  OMG  13           H2*      OMG  13  -8.379  -2.543   3.572
  134    H3*  OMG  13           H3*      OMG  13  -9.212  -1.747   1.453
  135    H4*  OMG  13           H4*      OMG  13 -11.965  -2.660   2.227
  136   1HM2  OMG  13          1HM2      OMG  13  -8.890  -3.907   5.514
  137   2HM2  OMG  13          2HM2      OMG  13 -10.526  -4.560   5.461
  138   3HM2  OMG  13          3HM2      OMG  13 -10.164  -3.174   6.486
  139   1H5*  OMG  13          1H5*      OMG  13 -12.381  -3.066  -0.022
  140   2H5*  OMG  13          2H5*      OMG  13 -11.421  -1.576  -0.006
  141    H8   OMG  13           H8       OMG  13  -8.562  -3.709   0.064
  142    HN1  OMG  13           HN1      OMG  13  -4.287  -7.284   3.231
  143   1HN2  OMG  13          1HN2      OMG  13  -4.964  -7.665   5.269
  144   2HN2  OMG  13          2HN2      OMG  13  -6.485  -7.049   5.876
  145   1H5*    G  14          1H5*        G  14 -10.210  -0.453   5.362
  146   2H5*    G  14          2H5*        G  14  -9.602   1.177   5.709
  147    H4*    G  14           H4*        G  14  -8.933  -0.419   7.417
  148    H3*    G  14           H3*        G  14  -6.739   0.847   5.797
  149    H2*    G  14           H2*        G  14  -5.129  -0.387   7.092
  150   2HO*    G  14          2HO*        G  14  -7.246  -1.420   8.686
  151    H1*    G  14           H1*        G  14  -6.568  -2.801   7.071
  152    H8     G  14           H8         G  14  -6.809  -1.029   3.751
  153    H1     G  14           H1         G  14  -1.545  -4.626   4.464
  154   1H2     G  14          1H2         G  14  -1.348  -5.287   6.544
  155   2H2     G  14          2H2         G  14  -2.510  -4.853   7.777
  156   1H5*    C  15          1H5*        C  15  -5.290   0.442   9.330
  157   2H5*    C  15          2H5*        C  15  -5.271   2.022  10.137
  158    H4*    C  15           H4*        C  15  -3.260   1.239  10.801
  159    H3*    C  15           H3*        C  15  -2.752   2.721   8.245
  160    H2*    C  15           H2*        C  15  -0.447   2.025   8.295
  161   2HO*    C  15          2HO*        C  15   0.489   1.284  10.118
  162    H1*    C  15           H1*        C  15  -0.952  -0.631   8.924
  163   1H4     C  15          1H4         C  15  -1.077  -0.798   2.598
  164   2H4     C  15          2H4         C  15  -2.596   0.063   2.558
  165    H5     C  15           H5         C  15  -3.685   0.910   4.548
  166    H6     C  15           H6         C  15  -3.530   1.109   6.975
  167   1H5*    U  16          1H5*        U  16   1.896   4.666   9.368
  168   2H5*    U  16          2H5*        U  16   0.837   4.291   7.995
  169    H4*    U  16           H4*        U  16   2.382   2.231   9.560
  170    H3*    U  16           H3*        U  16   3.276   3.835   7.204
  171    H2*    U  16           H2*        U  16   4.118   1.875   6.108
  172   2HO*    U  16          2HO*        U  16   3.973  -0.180   7.372
  173    H1*    U  16           H1*        U  16   1.983   0.190   6.741
  174    H3     U  16           H3         U  16   2.229   1.653   2.283
  175    H5     U  16           H5         U  16  -0.886   3.679   4.249
  176    H6     U  16           H6         U  16  -0.007   2.852   6.326
  177   1H5*    A  17          1H5*        A  17   6.310   4.448   6.591
  178   2H5*    A  17          2H5*        A  17   5.139   3.738   5.462
  179    H4*    A  17           H4*        A  17   8.072   3.049   5.543
  180    H3*    A  17           H3*        A  17   6.697   5.221   4.017
  181    H2*    A  17           H2*        A  17   7.914   4.637   2.020
  182   2HO*    A  17          2HO*        A  17   9.238   2.455   3.064
  183    H1*    A  17           H1*        A  17   7.482   1.904   2.200
  184    H8     A  17           H8         A  17   4.316   2.888   3.628
  185   1H6     A  17          1H6         A  17   2.332   4.502  -2.017
  186   2H6     A  17          2H6         A  17   1.852   4.174  -0.367
  187    H2     A  17           H2         A  17   6.781   3.965  -2.202
  188   1H5*    A  18          1H5*        A  18  10.752   5.087   3.001
  189   2H5*    A  18          2H5*        A  18  11.476   6.687   3.254
  190    H4*    A  18           H4*        A  18  12.153   5.756   1.127
  191    H3*    A  18           H3*        A  18  10.457   8.233   1.034
  192    H2*    A  18           H2*        A  18  10.563   8.178  -1.375
  193   2HO*    A  18          2HO*        A  18  12.779   6.652  -0.817
  194    H1*    A  18           H1*        A  18  10.030   5.451  -1.601
  195    H8     A  18           H8         A  18   8.177   7.097   1.294
  196   1H6     A  18          1H6         A  18   3.589   8.064  -2.751
  197   2H6     A  18          2H6         A  18   4.068   8.171  -1.072
  198    H2     A  18           H2         A  18   7.115   6.451  -5.004
  199    H1*  OMG  19           H1*      OMG  19  11.120  10.075  -4.811
  200    H2*  OMG  19           H2*      OMG  19  11.002  12.784  -4.078
  201    H3*  OMG  19           H3*      OMG  19  12.084  12.490  -1.947
  202    H4*  OMG  19           H4*      OMG  19  14.073  10.663  -3.269
  203   1HM2  OMG  19          1HM2      OMG  19  12.010  10.720  -6.712
  204   2HM2  OMG  19          2HM2      OMG  19  10.857  12.004  -6.357
  205   3HM2  OMG  19          3HM2      OMG  19  12.336  12.367  -7.244
  206   1H5*  OMG  19          1H5*      OMG  19  14.021   9.375  -1.226
  207   2H5*  OMG  19          2H5*      OMG  19  14.355  11.084  -0.883
  208    H8   OMG  19           H8       OMG  19  10.371  10.350  -1.145
  209    HN1  OMG  19           HN1      OMG  19   5.249  11.093  -4.933
  210   1HN2  OMG  19          1HN2      OMG  19   5.864  11.315  -7.020
  211   2HN2  OMG  19          2HN2      OMG  19   7.544  11.280  -7.506
  212   1H5*    A  20          1H5*        A  20  13.136  14.136  -5.856
  213   2H5*    A  20          2H5*        A  20  13.417  15.857  -5.531
  214    H4*    A  20           H4*        A  20  11.805  15.386  -7.365
  215    H3*    A  20           H3*        A  20  11.019  17.098  -5.030
  216    H2*    A  20           H2*        A  20   8.807  17.309  -5.903
  217   2HO*    A  20          2HO*        A  20  10.162  16.765  -8.264
  218    H1*    A  20           H1*        A  20   8.607  14.668  -6.921
  219    H8     A  20           H8         A  20  10.010  15.044  -3.396
  220   1H6     A  20          1H6         A  20   4.179  14.298  -1.449
  221   2H6     A  20          2H6         A  20   5.851  14.435  -0.953
  222    H2     A  20           H2         A  20   4.123  14.599  -5.921
  223    H3T    A  20           H3T        A  20  11.693  17.442  -7.724
  Start of MODEL   11
    1    HN1  PSU   1           HN1      PSU   1  -0.605  13.286  -0.601
    2    HN3  PSU   1           HN3      PSU   1   2.712  14.242  -2.774
    3    H6   PSU   1           H6       PSU   1  -2.003  13.529  -2.534
    4    H1*  PSU   1           H1*      PSU   1  -0.727  14.865  -5.723
    5    H2*  PSU   1           H2*      PSU   1  -0.966  12.098  -5.416
    6   *HO2  PSU   1          *HO2      PSU   1  -1.532  14.002  -7.242
    7    H3*  PSU   1           H3*      PSU   1  -2.939  12.151  -4.050
    8    H4*  PSU   1           H4*      PSU   1  -4.135  14.258  -5.811
    9   1H5*  PSU   1          1H5*      PSU   1  -4.388  15.210  -3.279
   10   2H5*  PSU   1          2H5*      PSU   1  -5.583  14.216  -4.133
   11    H5T  PSU   1           H5T      PSU   1  -5.134  13.282  -2.146
   12   1H5*    C   2          1H5*        C   2  -2.985  11.703  -8.686
   13   2H5*    C   2          2H5*        C   2  -3.257   9.969  -8.942
   14    H4*    C   2           H4*        C   2  -1.568  10.851 -10.450
   15    H3*    C   2           H3*        C   2  -0.794   8.720  -8.507
   16    H2*    C   2           H2*        C   2   1.509   8.860  -9.168
   17   2HO*    C   2          2HO*        C   2   1.095  10.856 -11.072
   18    H1*    C   2           H1*        C   2   1.674  11.635  -9.241
   19   1H4     C   2          1H4         C   2   3.335  10.536  -3.236
   20   2H4     C   2          2H4         C   2   1.714  10.022  -2.835
   21    H5     C   2           H5         C   2  -0.061   9.849  -4.466
   22    H6     C   2           H6         C   2  -0.635  10.094  -6.820
   23   1H5*    U   3          1H5*        U   3   1.063   7.401 -11.759
   24   2H5*    U   3          2H5*        U   3   0.219   5.993 -12.435
   25    H4*    U   3           H4*        U   3   2.347   5.237 -12.527
   26    H3*    U   3           H3*        U   3   1.264   4.376  -9.873
   27    H2*    U   3           H2*        U   3   3.422   3.551  -9.219
   28   2HO*    U   3          2HO*        U   3   4.922   4.172 -11.365
   29    H1*    U   3           H1*        U   3   4.899   5.710 -10.183
   30    H3     U   3           H3         U   3   5.159   6.738  -5.851
   31    H5     U   3           H5         U   3   1.064   7.165  -6.681
   32    H6     U   3           H6         U   3   1.500   6.312  -8.888
   33   1H5*    C   4          1H5*        C   4   4.150   1.784 -10.651
   34   2H5*    C   4          2H5*        C   4   3.473   0.143 -10.640
   35    H4*    C   4           H4*        C   4   5.413   0.376  -9.166
   36    H3*    C   4           H3*        C   4   2.775  -0.411  -7.981
   37    H2*    C   4           H2*        C   4   3.764  -0.445  -5.786
   38   2HO*    C   4          2HO*        C   4   6.245   0.322  -6.110
   39    H1*    C   4           H1*        C   4   5.175   1.945  -6.062
   40   1H4     C   4          1H4         C   4  -0.329   3.836  -3.555
   41   2H4     C   4          2H4         C   4  -1.114   3.723  -5.114
   42    H5     C   4           H5         C   4  -0.002   2.861  -7.087
   43    H6     C   4           H6         C   4   2.080   1.939  -7.960
   44    H1*  OMG   5           H1*      OMG   5   5.933  -1.160  -3.184
   45    H2*  OMG   5           H2*      OMG   5   5.727  -3.539  -1.782
   46    H3*  OMG   5           H3*      OMG   5   4.217  -4.621  -3.311
   47    H4*  OMG   5           H4*      OMG   5   5.871  -3.738  -5.641
   48   1HM2  OMG   5          1HM2      OMG   5   8.059  -1.469  -2.521
   49   2HM2  OMG   5          2HM2      OMG   5   9.103  -2.870  -2.296
   50   3HM2  OMG   5          3HM2      OMG   5   7.704  -2.636  -1.250
   51   1H5*  OMG   5          1H5*      OMG   5   3.425  -4.883  -5.524
   52   2H5*  OMG   5          2H5*      OMG   5   2.986  -3.168  -5.630
   53    H8   OMG   5           H8       OMG   5   2.494  -1.790  -3.992
   54    HN1  OMG   5           HN1      OMG   5   3.181  -0.596   2.274
   55   1HN2  OMG   5          1HN2      OMG   5   5.284  -0.748   2.856
   56   2HN2  OMG   5          2HN2      OMG   5   6.544  -1.148   1.710
   57    H1*  OMG   6           H1*      OMG   6   5.624  -3.698   2.760
   58    H2*  OMG   6           H2*      OMG   6   4.338  -6.222   2.851
   59    H3*  OMG   6           H3*      OMG   6   4.998  -6.884   0.640
   60    H4*  OMG   6           H4*      OMG   6   7.698  -5.655   1.160
   61   1HM2  OMG   6          1HM2      OMG   6   6.308  -5.701   5.624
   62   2HM2  OMG   6          2HM2      OMG   6   6.497  -4.207   4.709
   63   3HM2  OMG   6          3HM2      OMG   6   4.917  -4.981   4.815
   64   1H5*  OMG   6          1H5*      OMG   6   7.397  -4.848  -1.236
   65   2H5*  OMG   6          2H5*      OMG   6   7.677  -6.580  -0.969
   66    H8   OMG   6           H8       OMG   6   3.805  -4.401  -0.453
   67    HN1  OMG   6           HN1      OMG   6   0.098  -2.112   4.257
   68   1HN2  OMG   6          1HN2      OMG   6   1.187  -2.120   6.154
   69   2HN2  OMG   6          2HN2      OMG   6   2.835  -2.690   6.283
   70   1H5*    C   7          1H5*        C   7   6.109  -8.214   4.536
   71   2H5*    C   7          2H5*        C   7   5.840  -9.968   4.547
   72    H4*    C   7           H4*        C   7   4.735  -9.076   6.434
   73    H3*    C   7           H3*        C   7   2.836  -9.901   4.257
   74    H2*    C   7           H2*        C   7   0.996  -9.185   5.628
   75   2HO*    C   7          2HO*        C   7   2.155  -8.248   7.821
   76    H1*    C   7           H1*        C   7   2.244  -6.828   6.555
   77   1H4     C   7          1H4         C   7  -1.153  -4.576   1.733
   78   2H4     C   7          2H4         C   7  -0.116  -5.371   0.570
   79    H5     C   7           H5         C   7   1.693  -6.848   1.211
   80    H6     C   7           H6         C   7   2.880  -7.846   3.095
   81   1H5*    C   8          1H5*        C   8   1.539 -11.662   7.742
   82   2H5*    C   8          2H5*        C   8   1.385 -13.425   7.621
   83    H4*    C   8           H4*        C   8  -0.600 -12.796   8.599
   84    H3*    C   8           H3*        C   8  -0.984 -13.241   5.672
   85    H2*    C   8           H2*        C   8  -3.229 -12.421   5.761
   86   2HO*    C   8          2HO*        C   8  -2.904 -12.501   8.602
   87    H1*    C   8           H1*        C   8  -2.763 -10.279   7.497
   88   1H4     C   8          1H4         C   8  -2.204  -7.321   1.960
   89   2H4     C   8          2H4         C   8  -0.841  -8.311   1.488
   90    H5     C   8           H5         C   8   0.015 -10.111   2.869
   91    H6     C   8           H6         C   8  -0.292 -11.341   4.953
   92    HN1  PSU   9           HN1      PSU   9  -3.329 -10.052   1.957
   93    HN3  PSU   9           HN3      PSU   9  -6.774  -7.927   2.457
   94    H6   PSU   9           H6       PSU   9  -3.745 -11.296   3.958
   95    H1*  PSU   9           H1*      PSU   9  -5.731 -10.522   6.452
   96    H2*  PSU   9           H2*      PSU   9  -7.950 -11.194   4.844
   97   *HO2  PSU   9          *HO2      PSU   9  -8.395 -10.961   6.946
   98    H3*  PSU   9           H3*      PSU   9  -6.943 -13.211   3.987
   99    H4*  PSU   9           H4*      PSU   9  -5.974 -13.763   6.787
  100   1H5*  PSU   9          1H5*      PSU   9  -5.325 -15.551   5.484
  101   2H5*  PSU   9          2H5*      PSU   9  -5.013 -14.536   4.063
  102   1H5*    U  10          1H5*        U  10  -8.114 -11.874   2.689
  103   2H5*    U  10          2H5*        U  10  -9.796 -11.818   3.249
  104    H4*    U  10           H4*        U  10  -9.593 -11.322   0.868
  105    H3*    U  10           H3*        U  10 -11.619 -12.721   1.824
  106    H2*    U  10           H2*        U  10 -10.588 -14.911   1.781
  107   2HO*    U  10          2HO*        U  10 -11.874 -14.407  -0.711
  108    H1*    U  10           H1*        U  10  -9.505 -14.367  -1.027
  109    H3     U  10           H3         U  10  -7.679 -18.457  -0.755
  110    H5     U  10           H5         U  10  -6.210 -16.483   2.648
  111    H6     U  10           H6         U  10  -7.661 -14.639   2.110
  112   1H5*    U  11          1H5*        U  11 -15.324 -10.117   0.758
  113   2H5*    U  11          2H5*        U  11 -14.673  -9.974  -0.886
  114    H4*    U  11           H4*        U  11 -14.849  -7.790  -0.012
  115    H3*    U  11           H3*        U  11 -12.541  -8.453  -1.104
  116    H2*    U  11           H2*        U  11 -11.476  -9.407   0.848
  117   2HO*    U  11          2HO*        U  11 -10.920  -6.641   1.249
  118    H1*    U  11           H1*        U  11 -12.426  -7.064   2.564
  119    H3     U  11           H3         U  11 -11.350  -9.005   6.405
  120    H5     U  11           H5         U  11 -12.121 -12.303   3.922
  121    H6     U  11           H6         U  11 -12.621 -10.757   2.150
  122   1H5*    U  12          1H5*        U  12 -11.057  -5.616  -3.824
  123   2H5*    U  12          2H5*        U  12 -11.335  -6.837  -2.566
  124    H4*    U  12           H4*        U  12 -10.865  -4.373  -1.267
  125    H3*    U  12           H3*        U  12  -9.612  -3.841  -3.526
  126    H2*    U  12           H2*        U  12  -8.504  -5.987  -3.791
  127   2HO*    U  12          2HO*        U  12  -6.996  -3.922  -3.105
  128    H1*    U  12           H1*        U  12  -7.623  -5.868  -0.859
  129    H3     U  12           H3         U  12  -5.795  -9.650  -3.075
  130    H5     U  12           H5         U  12  -9.425 -10.658  -1.216
  131    H6     U  12           H6         U  12  -9.833  -8.307  -0.912
  132    H1*  OMG  13           H1*      OMG  13  -9.650  -4.897   4.577
  133    H2*  OMG  13           H2*      OMG  13  -8.546  -2.361   4.624
  134    H3*  OMG  13           H3*      OMG  13  -9.203  -1.768   2.380
  135    H4*  OMG  13           H4*      OMG  13 -11.977  -2.760   2.921
  136   1HM2  OMG  13          1HM2      OMG  13  -9.201  -3.667   6.593
  137   2HM2  OMG  13          2HM2      OMG  13 -10.790  -4.403   6.394
  138   3HM2  OMG  13          3HM2      OMG  13 -10.606  -2.954   7.380
  139   1H5*  OMG  13          1H5*      OMG  13 -11.760  -3.748   0.634
  140   2H5*  OMG  13          2H5*      OMG  13 -11.669  -1.978   0.720
  141    H8   OMG  13           H8       OMG  13  -8.292  -3.436   1.278
  142    HN1  OMG  13           HN1      OMG  13  -4.336  -7.304   4.515
  143   1HN2  OMG  13          1HN2      OMG  13  -5.203  -7.854   6.441
  144   2HN2  OMG  13          2HN2      OMG  13  -6.772  -7.277   6.954
  145   1H5*    G  14          1H5*        G  14 -10.205  -0.477   6.188
  146   2H5*    G  14          2H5*        G  14  -9.605   1.171   6.463
  147    H4*    G  14           H4*        G  14  -8.748  -0.390   8.119
  148    H3*    G  14           H3*        G  14  -6.714   0.868   6.287
  149    H2*    G  14           H2*        G  14  -5.001  -0.303   7.499
  150   2HO*    G  14          2HO*        G  14  -5.526  -1.405   9.450
  151    H1*    G  14           H1*        G  14  -6.464  -2.715   7.736
  152    H8     G  14           H8         G  14  -6.753  -1.142   4.313
  153    H1     G  14           H1         G  14  -1.592  -4.866   5.116
  154   1H2     G  14          1H2         G  14  -1.361  -5.408   7.224
  155   2H2     G  14          2H2         G  14  -2.476  -4.865   8.457
  156   1H5*    C  15          1H5*        C  15  -5.073   0.786   9.795
  157   2H5*    C  15          2H5*        C  15  -4.938   2.425  10.458
  158    H4*    C  15           H4*        C  15  -2.894   1.627  11.003
  159    H3*    C  15           H3*        C  15  -2.579   2.876   8.294
  160    H2*    C  15           H2*        C  15  -0.296   2.116   8.217
  161   2HO*    C  15          2HO*        C  15   0.561   1.017  10.122
  162    H1*    C  15           H1*        C  15  -0.808  -0.455   9.149
  163   1H4     C  15          1H4         C  15  -1.338  -1.249   2.893
  164   2H4     C  15          2H4         C  15  -2.814  -0.316   2.850
  165    H5     C  15           H5         C  15  -3.746   0.774   4.801
  166    H6     C  15           H6         C  15  -3.440   1.199   7.184
  167   1H5*    U  16          1H5*        U  16   1.783   4.701   9.525
  168   2H5*    U  16          2H5*        U  16   1.718   4.993   7.776
  169    H4*    U  16           H4*        U  16   2.645   2.664   9.278
  170    H3*    U  16           H3*        U  16   3.286   3.921   6.636
  171    H2*    U  16           H2*        U  16   4.006   1.802   5.766
  172   2HO*    U  16          2HO*        U  16   3.829   0.970   8.494
  173    H1*    U  16           H1*        U  16   1.921   0.286   6.844
  174    H3     U  16           H3         U  16   1.767   1.056   2.218
  175    H5     U  16           H5         U  16  -1.088   3.489   4.119
  176    H6     U  16           H6         U  16  -0.040   2.941   6.213
  177   1H5*    A  17          1H5*        A  17   5.231   3.522   5.184
  178   2H5*    A  17          2H5*        A  17   6.047   2.403   6.293
  179    H4*    A  17           H4*        A  17   8.185   2.913   5.286
  180    H3*    A  17           H3*        A  17   6.708   4.993   3.723
  181    H2*    A  17           H2*        A  17   7.987   4.457   1.752
  182   2HO*    A  17          2HO*        A  17   9.520   2.926   3.605
  183    H1*    A  17           H1*        A  17   7.704   1.708   1.960
  184    H8     A  17           H8         A  17   4.471   2.647   3.329
  185   1H6     A  17          1H6         A  17   2.516   3.927  -2.405
  186   2H6     A  17          2H6         A  17   2.025   3.666  -0.747
  187    H2     A  17           H2         A  17   6.978   3.496  -2.520
  188   1H5*    A  18          1H5*        A  18  10.491   4.998   2.742
  189   2H5*    A  18          2H5*        A  18  11.372   6.475   3.183
  190    H4*    A  18           H4*        A  18  12.149   5.869   1.059
  191    H3*    A  18           H3*        A  18  10.249   8.188   0.932
  192    H2*    A  18           H2*        A  18  10.490   8.226  -1.468
  193   2HO*    A  18          2HO*        A  18  12.558   6.324  -0.957
  194    H1*    A  18           H1*        A  18  10.182   5.484  -1.811
  195    H8     A  18           H8         A  18   8.126   6.928   1.069
  196   1H6     A  18          1H6         A  18   3.557   7.504  -3.074
  197   2H6     A  18          2H6         A  18   3.990   7.650  -1.384
  198    H2     A  18           H2         A  18   7.258   6.210  -5.252
  199    H1*  OMG  19           H1*      OMG  19  10.708  10.123  -4.760
  200    H2*  OMG  19           H2*      OMG  19  10.416  12.819  -4.039
  201    H3*  OMG  19           H3*      OMG  19  11.516  12.599  -1.906
  202    H4*  OMG  19           H4*      OMG  19  13.631  10.926  -3.238
  203   1HM2  OMG  19          1HM2      OMG  19  11.771  12.484  -7.205
  204   2HM2  OMG  19          2HM2      OMG  19  11.543  10.823  -6.667
  205   3HM2  OMG  19          3HM2      OMG  19  10.317  12.038  -6.313
  206   1H5*  OMG  19          1H5*      OMG  19  13.685   9.637  -1.198
  207   2H5*  OMG  19          2H5*      OMG  19  13.894  11.366  -0.854
  208    H8   OMG  19           H8       OMG  19   9.987  10.326  -1.089
  209    HN1  OMG  19           HN1      OMG  19   4.782  10.791  -4.810
  210   1HN2  OMG  19          1HN2      OMG  19   5.356  11.075  -6.896
  211   2HN2  OMG  19          2HN2      OMG  19   7.028  11.150  -7.405
  212   1H5*    A  20          1H5*        A  20  12.698  14.478  -5.567
  213   2H5*    A  20          2H5*        A  20  12.904  16.212  -5.252
  214    H4*    A  20           H4*        A  20  11.481  15.759  -7.193
  215    H3*    A  20           H3*        A  20  10.327  17.266  -4.872
  216    H2*    A  20           H2*        A  20   8.205  17.374  -5.984
  217   2HO*    A  20          2HO*        A  20   8.956  16.011  -8.269
  218    H1*    A  20           H1*        A  20   8.218  14.739  -6.934
  219    H8     A  20           H8         A  20   9.631  15.185  -3.419
  220   1H6     A  20          1H6         A  20   3.880  14.064  -1.418
  221   2H6     A  20          2H6         A  20   5.544  14.305  -0.939
  222    H2     A  20           H2         A  20   3.758  14.377  -5.887
  223    H3T    A  20           H3T        A  20  10.456  18.897  -6.399
  Start of MODEL   12
    1    HN1  PSU   1           HN1      PSU   1  -0.229  13.276   0.531
    2    HN3  PSU   1           HN3      PSU   1   2.783  13.692  -2.188
    3    H6   PSU   1           H6       PSU   1  -1.882  13.567  -1.182
    4    H1*  PSU   1           H1*      PSU   1  -1.033  14.642  -4.570
    5    H2*  PSU   1           H2*      PSU   1  -1.266  11.891  -4.285
    6   *HO2  PSU   1          *HO2      PSU   1  -3.001  13.664  -5.711
    7    H3*  PSU   1           H3*      PSU   1  -2.931  11.943  -2.550
    8    H4*  PSU   1           H4*      PSU   1  -4.472  14.032  -4.034
    9   1H5*  PSU   1          1H5*      PSU   1  -4.732  15.080  -1.814
   10   2H5*  PSU   1          2H5*      PSU   1  -5.358  13.424  -1.911
   11    H5T  PSU   1           H5T      PSU   1  -3.510  12.694  -0.869
   12   1H5*    C   2          1H5*        C   2  -3.493  11.659  -7.038
   13   2H5*    C   2          2H5*        C   2  -4.112  10.010  -7.259
   14    H4*    C   2           H4*        C   2  -2.596  10.505  -9.028
   15    H3*    C   2           H3*        C   2  -1.674   8.446  -7.068
   16    H2*    C   2           H2*        C   2   0.464   8.291  -8.156
   17   2HO*    C   2          2HO*        C   2  -0.586  10.065 -10.138
   18    H1*    C   2           H1*        C   2   0.875  11.019  -8.459
   19   1H4     C   2          1H4         C   2   3.448  10.037  -2.764
   20   2H4     C   2          2H4         C   2   1.874   9.779  -2.046
   21    H5     C   2           H5         C   2  -0.175   9.760  -3.333
   22    H6     C   2           H6         C   2  -1.127   9.955  -5.569
   23   1H5*    U   3          1H5*        U   3  -0.520   6.625 -10.789
   24   2H5*    U   3          2H5*        U   3  -1.658   5.267 -10.900
   25    H4*    U   3           H4*        U   3   0.322   4.275 -11.473
   26    H3*    U   3           H3*        U   3  -0.206   3.791  -8.573
   27    H2*    U   3           H2*        U   3   1.953   2.767  -8.292
   28   2HO*    U   3          2HO*        U   3   1.626   2.057 -10.772
   29    H1*    U   3           H1*        U   3   3.399   4.671  -9.690
   30    H3     U   3           H3         U   3   4.391   6.017  -5.539
   31    H5     U   3           H5         U   3   0.320   6.975  -5.921
   32    H6     U   3           H6         U   3   0.335   5.855  -8.052
   33   1H5*    C   4          1H5*        C   4   2.635   0.675  -9.161
   34   2H5*    C   4          2H5*        C   4   1.647  -0.720  -8.684
   35    H4*    C   4           H4*        C   4   3.680  -0.324  -7.292
   36    H3*    C   4           H3*        C   4   0.958  -0.424  -6.001
   37    H2*    C   4           H2*        C   4   2.017  -0.131  -3.863
   38   2HO*    C   4          2HO*        C   4   4.040  -0.738  -3.571
   39    H1*    C   4           H1*        C   4   3.747   1.893  -4.737
   40   1H4     C   4          1H4         C   4  -1.262   5.031  -2.430
   41   2H4     C   4          2H4         C   4  -2.114   4.810  -3.942
   42    H5     C   4           H5         C   4  -1.246   3.472  -5.761
   43    H6     C   4           H6         C   4   0.615   2.078  -6.499
   44    H1*  OMG   5           H1*      OMG   5   6.019  -1.500  -2.733
   45    H2*  OMG   5           H2*      OMG   5   5.956  -3.718  -1.070
   46    H3*  OMG   5           H3*      OMG   5   4.280  -4.930  -2.299
   47    H4*  OMG   5           H4*      OMG   5   5.658  -4.306  -4.880
   48   1HM2  OMG   5          1HM2      OMG   5   9.282  -3.144  -2.128
   49   2HM2  OMG   5          2HM2      OMG   5   8.126  -3.112  -0.799
   50   3HM2  OMG   5          3HM2      OMG   5   8.131  -1.816  -1.995
   51   1H5*  OMG   5          1H5*      OMG   5   3.421  -5.527  -4.672
   52   2H5*  OMG   5          2H5*      OMG   5   2.736  -3.930  -4.314
   53    H8   OMG   5           H8       OMG   5   2.501  -2.146  -3.051
   54    HN1  OMG   5           HN1      OMG   5   3.948  -0.263   2.906
   55   1HN2  OMG   5          1HN2      OMG   5   6.106  -0.409   3.252
   56   2HN2  OMG   5          2HN2      OMG   5   7.215  -0.968   2.019
   57    H1*  OMG   6           H1*      OMG   6   6.014  -3.554   3.331
   58    H2*  OMG   6           H2*      OMG   6   4.744  -6.007   3.791
   59    H3*  OMG   6           H3*      OMG   6   5.239  -6.948   1.634
   60    H4*  OMG   6           H4*      OMG   6   8.039  -5.881   1.834
   61   1HM2  OMG   6          1HM2      OMG   6   5.339  -5.142   5.767
   62   2HM2  OMG   6          2HM2      OMG   6   6.978  -5.364   6.373
   63   3HM2  OMG   6          3HM2      OMG   6   6.575  -3.934   5.427
   64   1H5*  OMG   6          1H5*      OMG   6   7.503  -5.213  -0.602
   65   2H5*  OMG   6          2H5*      OMG   6   7.810  -6.913  -0.201
   66    H8   OMG   6           H8       OMG   6   4.334  -4.645   0.163
   67    HN1  OMG   6           HN1      OMG   6   0.397  -1.863   4.395
   68   1HN2  OMG   6          1HN2      OMG   6   1.389  -1.636   6.330
   69   2HN2  OMG   6          2HN2      OMG   6   3.032  -2.170   6.604
   70   1H5*    C   7          1H5*        C   7   6.363  -8.260   5.525
   71   2H5*    C   7          2H5*        C   7   5.861  -9.958   5.644
   72    H4*    C   7           H4*        C   7   4.896  -8.735   7.452
   73    H3*    C   7           H3*        C   7   2.935  -9.660   5.376
   74    H2*    C   7           H2*        C   7   1.154  -8.623   6.614
   75   2HO*    C   7          2HO*        C   7   2.027  -7.514   8.697
   76    H1*    C   7           H1*        C   7   2.567  -6.269   7.228
   77   1H4     C   7          1H4         C   7  -0.573  -4.551   2.018
   78   2H4     C   7          2H4         C   7   0.521  -5.473   1.012
   79    H5     C   7           H5         C   7   2.265  -6.889   1.916
   80    H6     C   7           H6         C   7   3.328  -7.684   3.963
   81   1H5*    C   8          1H5*        C   8   1.381 -11.034   9.030
   82   2H5*    C   8          2H5*        C   8   1.110 -12.786   8.965
   83    H4*    C   8           H4*        C   8  -0.871 -11.937   9.809
   84    H3*    C   8           H3*        C   8  -1.118 -12.631   6.919
   85    H2*    C   8           H2*        C   8  -3.310 -11.671   6.788
   86   2HO*    C   8          2HO*        C   8  -4.424 -11.060   8.678
   87    H1*    C   8           H1*        C   8  -2.781  -9.370   8.251
   88   1H4     C   8          1H4         C   8  -1.486  -7.318   2.429
   89   2H4     C   8          2H4         C   8  -0.114  -8.394   2.283
   90    H5     C   8           H5         C   8   0.501  -9.979   4.014
   91    H6     C   8           H6         C   8  -0.100 -10.871   6.204
   92    HN1  PSU   9           HN1      PSU   9  -2.700  -9.986   2.662
   93    HN3  PSU   9           HN3      PSU   9  -6.095  -7.752   2.292
   94    H6   PSU   9           H6       PSU   9  -3.429 -10.836   4.774
   95    H1*  PSU   9           H1*      PSU   9  -5.650  -9.583   6.807
   96    H2*  PSU   9           H2*      PSU   9  -7.740 -10.378   5.123
   97   *HO2  PSU   9          *HO2      PSU   9  -7.887 -11.536   7.605
   98    H3*  PSU   9           H3*      PSU   9  -6.730 -12.512   4.598
   99    H4*  PSU   9           H4*      PSU   9  -6.155 -12.808   7.540
  100   1H5*  PSU   9          1H5*      PSU   9  -5.380 -14.734   6.611
  101   2H5*  PSU   9          2H5*      PSU   9  -5.000 -13.965   5.058
  102   1H5*    U  10          1H5*        U  10 -11.132 -14.437   3.236
  103   2H5*    U  10          2H5*        U  10  -9.876 -15.369   2.396
  104    H4*    U  10           H4*        U  10 -10.433 -12.429   2.326
  105    H3*    U  10           H3*        U  10 -11.238 -14.192   0.508
  106    H2*    U  10           H2*        U  10  -9.092 -15.226   0.071
  107   2HO*    U  10          2HO*        U  10  -9.576 -13.041  -1.663
  108    H1*    U  10           H1*        U  10  -7.805 -12.443   0.000
  109    H3     U  10           H3         U  10  -4.919 -16.186  -1.067
  110    H5     U  10           H5         U  10  -4.247 -14.657   2.786
  111    H6     U  10           H6         U  10  -6.308 -13.433   2.577
  112   1H5*    U  11          1H5*        U  11 -12.435  -9.595  -1.245
  113   2H5*    U  11          2H5*        U  11 -13.207 -10.241  -2.706
  114    H4*    U  11           H4*        U  11 -12.436  -8.230  -3.460
  115    H3*    U  11           H3*        U  11 -11.270 -10.204  -4.747
  116    H2*    U  11           H2*        U  11  -9.422 -10.614  -3.254
  117   2HO*    U  11          2HO*        U  11  -8.792  -8.836  -5.322
  118    H1*    U  11           H1*        U  11  -8.846  -7.637  -2.965
  119    H3     U  11           H3         U  11  -5.810  -8.821   0.099
  120    H5     U  11           H5         U  11  -9.281 -10.832   1.345
  121    H6     U  11           H6         U  11 -10.366 -10.034  -0.643
  122   1H5*    U  12          1H5*        U  12 -12.334  -4.719  -6.514
  123   2H5*    U  12          2H5*        U  12 -10.741  -5.444  -6.219
  124    H4*    U  12           H4*        U  12 -11.141  -3.236  -5.117
  125    H3*    U  12           H3*        U  12  -9.527  -5.105  -4.176
  126    H2*    U  12           H2*        U  12 -11.203  -6.429  -3.025
  127   2HO*    U  12          2HO*        U  12  -9.829  -6.096  -1.351
  128    H1*    U  12           H1*        U  12 -12.376  -3.857  -1.839
  129    H3     U  12           H3         U  12 -16.752  -5.695  -2.630
  130    H5     U  12           H5         U  12 -14.223  -8.434  -0.698
  131    H6     U  12           H6         U  12 -12.372  -6.994  -1.242
  132    H1*  OMG  13           H1*      OMG  13  -9.180  -4.604   3.695
  133    H2*  OMG  13           H2*      OMG  13  -8.050  -2.090   3.546
  134    H3*  OMG  13           H3*      OMG  13  -8.416  -1.793   1.180
  135    H4*  OMG  13           H4*      OMG  13 -11.257  -2.689   1.493
  136   1HM2  OMG  13          1HM2      OMG  13 -10.442  -2.308   6.079
  137   2HM2  OMG  13          2HM2      OMG  13  -8.963  -3.119   5.570
  138   3HM2  OMG  13          3HM2      OMG  13 -10.528  -3.874   5.276
  139   1H5*  OMG  13          1H5*      OMG  13 -10.594  -4.085  -0.578
  140   2H5*  OMG  13          2H5*      OMG  13 -10.837  -2.334  -0.730
  141    H8   OMG  13           H8       OMG  13  -7.452  -3.623   0.396
  142    HN1  OMG  13           HN1      OMG  13  -3.907  -6.935   4.588
  143   1HN2  OMG  13          1HN2      OMG  13  -4.989  -7.198   6.467
  144   2HN2  OMG  13          2HN2      OMG  13  -6.602  -6.563   6.711
  145   1H5*    G  14          1H5*        G  14  -9.887   0.044   4.611
  146   2H5*    G  14          2H5*        G  14  -9.276   1.705   4.741
  147    H4*    G  14           H4*        G  14  -8.705   0.365   6.694
  148    H3*    G  14           H3*        G  14  -6.408   1.364   5.021
  149    H2*    G  14           H2*        G  14  -4.904   0.347   6.599
  150   2HO*    G  14          2HO*        G  14  -5.686  -0.463   8.582
  151    H1*    G  14           H1*        G  14  -6.419  -2.015   6.906
  152    H8     G  14           H8         G  14  -6.267  -0.856   3.315
  153    H1     G  14           H1         G  14  -1.263  -4.406   5.188
  154   1H2     G  14          1H2         G  14  -1.293  -4.686   7.352
  155   2H2     G  14          2H2         G  14  -2.550  -4.016   8.368
  156   1H5*    C  15          1H5*        C  15  -5.277   1.513   8.731
  157   2H5*    C  15          2H5*        C  15  -5.289   3.204   9.265
  158    H4*    C  15           H4*        C  15  -3.383   2.511  10.260
  159    H3*    C  15           H3*        C  15  -2.577   3.560   7.573
  160    H2*    C  15           H2*        C  15  -0.315   2.824   7.942
  161   2HO*    C  15          2HO*        C  15  -1.179   2.136  10.580
  162    H1*    C  15           H1*        C  15  -0.958   0.314   8.927
  163   1H4     C  15          1H4         C  15  -0.590  -0.894   2.730
  164   2H4     C  15          2H4         C  15  -2.050   0.011   2.414
  165    H5     C  15           H5         C  15  -3.250   1.218   4.136
  166    H6     C  15           H6         C  15  -3.286   1.804   6.503
  167   1H5*    U  16          1H5*        U  16   2.118   5.469   9.292
  168   2H5*    U  16          2H5*        U  16   1.273   5.218   7.752
  169    H4*    U  16           H4*        U  16   2.366   3.050   9.543
  170    H3*    U  16           H3*        U  16   3.572   4.368   7.136
  171    H2*    U  16           H2*        U  16   4.307   2.240   6.314
  172   2HO*    U  16          2HO*        U  16   4.873   0.767   7.736
  173    H1*    U  16           H1*        U  16   1.981   0.815   7.004
  174    H3     U  16           H3         U  16   2.757   1.506   2.420
  175    H5     U  16           H5         U  16  -0.309   4.070   3.721
  176    H6     U  16           H6         U  16   0.305   3.527   5.980
  177   1H5*    A  17          1H5*        A  17   6.658   4.788   6.643
  178   2H5*    A  17          2H5*        A  17   5.355   4.140   5.628
  179    H4*    A  17           H4*        A  17   8.219   3.199   5.583
  180    H3*    A  17           H3*        A  17   6.894   5.333   3.958
  181    H2*    A  17           H2*        A  17   7.932   4.494   1.954
  182   2HO*    A  17          2HO*        A  17   9.407   2.890   3.797
  183    H1*    A  17           H1*        A  17   7.360   1.820   2.417
  184    H8     A  17           H8         A  17   4.362   3.264   3.887
  185   1H6     A  17          1H6         A  17   2.167   4.262  -1.817
  186   2H6     A  17          2H6         A  17   1.768   4.213  -0.115
  187    H2     A  17           H2         A  17   6.525   3.265  -2.159
  188   1H5*    A  18          1H5*        A  18  10.915   4.763   2.683
  189   2H5*    A  18          2H5*        A  18  11.701   6.353   2.630
  190    H4*    A  18           H4*        A  18  12.102   5.074   0.600
  191    H3*    A  18           H3*        A  18  10.577   7.647   0.349
  192    H2*    A  18           H2*        A  18  10.393   7.282  -2.025
  193   2HO*    A  18          2HO*        A  18  12.645   5.951  -1.658
  194    H1*    A  18           H1*        A  18   9.674   4.596  -1.835
  195    H8     A  18           H8         A  18   8.279   6.770   0.976
  196   1H6     A  18          1H6         A  18   3.295   7.472  -2.630
  197   2H6     A  18          2H6         A  18   3.983   7.793  -1.054
  198    H2     A  18           H2         A  18   6.417   5.270  -4.981
  199    H1*  OMG  19           H1*      OMG  19  10.419   8.938  -5.501
  200    H2*  OMG  19           H2*      OMG  19  10.522  11.687  -4.985
  201    H3*  OMG  19           H3*      OMG  19  11.950  11.518  -3.055
  202    H4*  OMG  19           H4*      OMG  19  13.654   9.525  -4.518
  203   1HM2  OMG  19          1HM2      OMG  19  11.273  10.975  -8.288
  204   2HM2  OMG  19          2HM2      OMG  19  10.994   9.390  -7.571
  205   3HM2  OMG  19          3HM2      OMG  19   9.961  10.749  -7.132
  206   1H5*  OMG  19          1H5*      OMG  19  13.872   8.392  -2.397
  207   2H5*  OMG  19          2H5*      OMG  19  14.297  10.107  -2.242
  208    H8   OMG  19           H8       OMG  19  10.411   9.462  -1.791
  209    HN1  OMG  19           HN1      OMG  19   4.675  10.235  -4.554
  210   1HN2  OMG  19          1HN2      OMG  19   4.877  10.307  -6.731
  211   2HN2  OMG  19          2HN2      OMG  19   6.427  10.164  -7.530
  212   1H5*    A  20          1H5*        A  20  12.005  12.747  -7.213
  213   2H5*    A  20          2H5*        A  20  12.464  14.457  -7.097
  214    H4*    A  20           H4*        A  20  10.387  14.031  -8.386
  215    H3*    A  20           H3*        A  20  10.368  15.881  -6.023
  216    H2*    A  20           H2*        A  20   8.017  16.182  -6.237
  217   2HO*    A  20          2HO*        A  20   7.878  14.798  -8.680
  218    H1*    A  20           H1*        A  20   7.433  13.545  -7.185
  219    H8     A  20           H8         A  20   9.538  13.850  -4.025
  220   1H6     A  20          1H6         A  20   4.190  13.453  -0.928
  221   2H6     A  20          2H6         A  20   5.934  13.490  -0.783
  222    H2     A  20           H2         A  20   3.245  13.764  -5.298
  223    H3T    A  20           H3T        A  20  10.281  16.074  -8.815
  Start of MODEL   13
    1    HN1  PSU   1           HN1      PSU   1   1.496  15.381   1.827
    2    HN3  PSU   1           HN3      PSU   1   4.469  15.880  -0.920
    3    H6   PSU   1           H6       PSU   1  -0.176  15.870   0.181
    4    H1*  PSU   1           H1*      PSU   1   0.640  17.203  -3.115
    5    H2*  PSU   1           H2*      PSU   1   0.349  14.446  -3.096
    6   *HO2  PSU   1          *HO2      PSU   1  -0.994  16.569  -4.377
    7    H3*  PSU   1           H3*      PSU   1  -1.287  14.352  -1.339
    8    H4*  PSU   1           H4*      PSU   1  -2.809  16.617  -2.558
    9   1H5*  PSU   1          1H5*      PSU   1  -3.024  17.431  -0.256
   10   2H5*  PSU   1          2H5*      PSU   1  -3.625  15.777  -0.470
   11    H5T  PSU   1           H5T      PSU   1  -2.378  15.717   1.329
   12   1H5*    C   2          1H5*        C   2  -1.951  14.563  -5.820
   13   2H5*    C   2          2H5*        C   2  -2.625  12.966  -6.197
   14    H4*    C   2           H4*        C   2  -1.134  13.635  -7.944
   15    H3*    C   2           H3*        C   2  -0.309  11.292  -6.294
   16    H2*    C   2           H2*        C   2   1.826  11.169  -7.389
   17   2HO*    C   2          2HO*        C   2   1.858  13.192  -9.071
   18    H1*    C   2           H1*        C   2   2.402  13.875  -7.316
   19   1H4     C   2          1H4         C   2   4.739  12.038  -1.732
   20   2H4     C   2          2H4         C   2   3.131  11.817  -1.081
   21    H5     C   2           H5         C   2   1.124  12.093  -2.405
   22    H6     C   2           H6         C   2   0.253  12.606  -4.623
   23   1H5*    U   3          1H5*        U   3   1.143  10.364  -9.834
   24   2H5*    U   3          2H5*        U   3  -0.030   9.282 -10.607
   25    H4*    U   3           H4*        U   3   1.886   8.298 -11.285
   26    H3*    U   3           H3*        U   3   1.055   6.967  -8.756
   27    H2*    U   3           H2*        U   3   3.134   5.791  -8.560
   28   2HO*    U   3          2HO*        U   3   4.692   6.233 -10.426
   29    H1*    U   3           H1*        U   3   4.811   7.890  -9.206
   30    H3     U   3           H3         U   3   5.441   8.028  -4.792
   31    H5     U   3           H5         U   3   1.419   9.160  -5.208
   32    H6     U   3           H6         U   3   1.613   8.702  -7.562
   33   1H5*    C   4          1H5*        C   4   3.686   3.919 -10.767
   34   2H5*    C   4          2H5*        C   4   2.728   2.471 -10.402
   35    H4*    C   4           H4*        C   4   5.127   2.826  -9.400
   36    H3*    C   4           H3*        C   4   2.765   1.494  -8.146
   37    H2*    C   4           H2*        C   4   3.909   1.325  -6.039
   38   2HO*    C   4          2HO*        C   4   6.048   1.256  -7.586
   39    H1*    C   4           H1*        C   4   4.908   3.908  -6.004
   40   1H4     C   4          1H4         C   4  -0.781   4.399  -3.210
   41   2H4     C   4          2H4         C   4  -1.508   4.738  -4.765
   42    H5     C   4           H5         C   4  -0.279   4.614  -6.849
   43    H6     C   4           H6         C   4   1.886   4.124  -7.860
   44    H1*  OMG   5           H1*      OMG   5   7.149  -0.615  -3.268
   45    H2*  OMG   5           H2*      OMG   5   6.410  -3.166  -2.539
   46    H3*  OMG   5           H3*      OMG   5   5.400  -3.765  -4.643
   47    H4*  OMG   5           H4*      OMG   5   7.762  -2.727  -6.148
   48   1HM2  OMG   5          1HM2      OMG   5   9.846  -2.080  -2.130
   49   2HM2  OMG   5          2HM2      OMG   5   8.843  -3.314  -1.372
   50   3HM2  OMG   5          3HM2      OMG   5   8.213  -1.685  -1.598
   51   1H5*  OMG   5          1H5*      OMG   5   6.292  -3.084  -7.779
   52   2H5*  OMG   5          2H5*      OMG   5   4.908  -3.061  -6.668
   53    H8   OMG   5           H8       OMG   5   4.206  -0.730  -5.324
   54    HN1  OMG   5           HN1      OMG   5   2.653  -0.733   0.899
   55   1HN2  OMG   5          1HN2      OMG   5   4.408  -1.183   2.125
   56   2HN2  OMG   5          2HN2      OMG   5   5.982  -1.490   1.426
   57    H1*  OMG   6           H1*      OMG   6   5.779  -3.410   1.072
   58    H2*  OMG   6           H2*      OMG   6   4.380  -5.804   1.557
   59    H3*  OMG   6           H3*      OMG   6   5.179  -6.933  -0.410
   60    H4*  OMG   6           H4*      OMG   6   7.912  -5.797   0.135
   61   1HM2  OMG   6          1HM2      OMG   6   4.718  -4.614   3.461
   62   2HM2  OMG   6          2HM2      OMG   6   6.197  -4.915   4.372
   63   3HM2  OMG   6          3HM2      OMG   6   6.116  -3.567   3.239
   64   1H5*  OMG   6          1H5*      OMG   6   8.304  -5.812  -2.159
   65   2H5*  OMG   6          2H5*      OMG   6   7.440  -7.327  -1.835
   66    H8   OMG   6           H8       OMG   6   4.555  -4.313  -2.253
   67    HN1  OMG   6           HN1      OMG   6  -0.137  -2.211   1.586
   68   1HN2  OMG   6          1HN2      OMG   6   0.542  -2.156   3.663
   69   2HN2  OMG   6          2HN2      OMG   6   2.156  -2.642   4.131
   70   1H5*    C   7          1H5*        C   7   6.091  -8.441   3.612
   71   2H5*    C   7          2H5*        C   7   5.403 -10.071   3.736
   72    H4*    C   7           H4*        C   7   4.568  -8.585   5.479
   73    H3*    C   7           H3*        C   7   2.576  -9.694   3.523
   74    H2*    C   7           H2*        C   7   0.827  -8.481   4.644
   75   2HO*    C   7          2HO*        C   7   2.807  -7.828   6.607
   76    H1*    C   7           H1*        C   7   2.273  -6.106   4.955
   77   1H4     C   7          1H4         C   7  -1.072  -5.386  -0.395
   78   2H4     C   7          2H4         C   7   0.206  -6.159  -1.308
   79    H5     C   7           H5         C   7   2.148  -7.160  -0.258
   80    H6     C   7           H6         C   7   3.236  -7.642   1.872
   81   1H5*    C   8          1H5*        C   8   1.441  -9.874   7.367
   82   2H5*    C   8          2H5*        C   8   1.157 -11.501   8.017
   83    H4*    C   8           H4*        C   8  -0.457 -10.043   8.956
   84    H3*    C   8           H3*        C   8  -1.502 -12.048   7.016
   85    H2*    C   8           H2*        C   8  -3.697 -11.081   7.046
   86   2HO*    C   8          2HO*        C   8  -2.816  -9.254   9.046
   87    H1*    C   8           H1*        C   8  -2.922  -8.431   6.882
   88   1H4     C   8          1H4         C   8  -3.488 -10.184   0.807
   89   2H4     C   8          2H4         C   8  -1.811 -10.682   0.794
   90    H5     C   8           H5         C   8  -0.434 -10.717   2.786
   91    H6     C   8           H6         C   8  -0.375 -10.239   5.178
   92    HN1  PSU   9           HN1      PSU   9  -3.416 -12.591   3.614
   93    HN3  PSU   9           HN3      PSU   9  -6.712 -11.553   1.449
   94    H6   PSU   9           H6       PSU   9  -4.710 -12.701   5.628
   95    H1*  PSU   9           H1*      PSU   9  -8.304 -11.774   5.707
   96    H2*  PSU   9           H2*      PSU   9  -7.309 -14.416   5.675
   97   *HO2  PSU   9          *HO2      PSU   9  -8.765 -13.882   7.906
   98    H3*  PSU   9           H3*      PSU   9  -5.502 -14.001   7.200
   99    H4*  PSU   9           H4*      PSU   9  -7.341 -12.267   8.829
  100   1H5*  PSU   9          1H5*      PSU   9  -5.133 -10.801   8.690
  101   2H5*  PSU   9          2H5*      PSU   9  -5.359 -12.097   9.879
  102   1H5*    U  10          1H5*        U  10  -9.303 -17.401   6.441
  103   2H5*    U  10          2H5*        U  10  -9.031 -15.783   5.763
  104    H4*    U  10           H4*        U  10 -11.457 -16.945   6.148
  105    H3*    U  10           H3*        U  10 -10.768 -14.676   4.941
  106    H2*    U  10           H2*        U  10 -10.354 -13.352   6.927
  107   2HO*    U  10          2HO*        U  10 -13.034 -12.819   7.150
  108    H1*    U  10           H1*        U  10 -12.911 -14.498   8.174
  109    H3     U  10           H3         U  10 -11.949 -11.731  11.608
  110    H5     U  10           H5         U  10  -8.602 -14.254  11.335
  111    H6     U  10           H6         U  10  -9.534 -15.142   9.301
  112   1H5*    U  11          1H5*        U  11 -13.191 -12.637   4.280
  113   2H5*    U  11          2H5*        U  11 -14.645 -13.277   3.490
  114    H4*    U  11           H4*        U  11 -14.332 -12.071   1.589
  115    H3*    U  11           H3*        U  11 -11.849 -12.863   1.300
  116    H2*    U  11           H2*        U  11 -10.771 -11.735   3.098
  117   2HO*    U  11          2HO*        U  11 -10.404 -10.621   0.757
  118    H1*    U  11           H1*        U  11 -12.241  -9.125   2.751
  119    H3     U  11           H3         U  11 -13.532  -9.765   7.417
  120    H5     U  11           H5         U  11  -9.412 -10.185   6.726
  121    H6     U  11           H6         U  11  -9.886 -10.240   4.375
  122   1H5*    U  12          1H5*        U  12 -12.683 -10.597  -2.944
  123   2H5*    U  12          2H5*        U  12 -11.478 -10.469  -1.646
  124    H4*    U  12           H4*        U  12 -12.241  -7.908  -2.842
  125    H3*    U  12           H3*        U  12 -12.106  -9.579  -4.864
  126    H2*    U  12           H2*        U  12 -10.116 -10.793  -4.450
  127   2HO*    U  12          2HO*        U  12  -8.956 -10.017  -6.045
  128    H1*    U  12           H1*        U  12  -8.477  -8.579  -3.293
  129    H3     U  12           H3         U  12  -7.137 -13.124  -2.574
  130    H5     U  12           H5         U  12  -8.834 -11.442   0.880
  131    H6     U  12           H6         U  12  -9.627  -9.626  -0.488
  132    H1*  OMG  13           H1*      OMG  13 -10.515  -6.695   1.282
  133    H2*  OMG  13           H2*      OMG  13  -9.094  -4.355   0.884
  134    H3*  OMG  13           H3*      OMG  13  -9.541  -4.213  -1.487
  135    H4*  OMG  13           H4*      OMG  13 -12.450  -4.717  -0.952
  136   1HM2  OMG  13          1HM2      OMG  13 -11.360  -4.070   3.519
  137   2HM2  OMG  13          2HM2      OMG  13 -10.005  -5.081   3.022
  138   3HM2  OMG  13          3HM2      OMG  13 -11.655  -5.679   2.864
  139   1H5*  OMG  13          1H5*      OMG  13 -12.575  -5.779  -3.004
  140   2H5*  OMG  13          2H5*      OMG  13 -11.438  -4.448  -3.285
  141    H8   OMG  13           H8       OMG  13  -9.138  -6.789  -2.213
  142    HN1  OMG  13           HN1      OMG  13  -4.966  -8.514   2.334
  143   1HN2  OMG  13          1HN2      OMG  13  -5.746  -8.034   4.316
  144   2HN2  OMG  13          2HN2      OMG  13  -7.311  -7.286   4.543
  145   1H5*    G  14          1H5*        G  14 -10.870  -1.979   1.578
  146   2H5*    G  14          2H5*        G  14 -10.336  -0.289   1.670
  147    H4*    G  14           H4*        G  14  -9.911  -1.494   3.743
  148    H3*    G  14           H3*        G  14  -7.546  -0.425   2.235
  149    H2*    G  14           H2*        G  14  -6.081  -1.345   3.909
  150   2HO*    G  14          2HO*        G  14  -8.293  -2.304   5.393
  151    H1*    G  14           H1*        G  14  -7.380  -3.813   4.099
  152    H8     G  14           H8         G  14  -7.537  -2.850   0.515
  153    H1     G  14           H1         G  14  -1.828  -5.186   2.272
  154   1H2     G  14          1H2         G  14  -1.690  -5.307   4.455
  155   2H2     G  14          2H2         G  14  -3.002  -4.817   5.503
  156   1H5*    C  15          1H5*        C  15  -6.673  -0.143   5.992
  157   2H5*    C  15          2H5*        C  15  -6.920   1.535   6.512
  158    H4*    C  15           H4*        C  15  -5.059   1.032   7.696
  159    H3*    C  15           H3*        C  15  -4.139   2.234   5.117
  160    H2*    C  15           H2*        C  15  -1.843   1.737   5.662
  161   2HO*    C  15          2HO*        C  15  -2.164   0.377   7.975
  162    H1*    C  15           H1*        C  15  -2.267  -0.874   6.421
  163   1H4     C  15          1H4         C  15  -1.613  -1.525   0.149
  164   2H4     C  15          2H4         C  15  -3.203  -0.849  -0.123
  165    H5     C  15           H5         C  15  -4.596   0.015   1.653
  166    H6     C  15           H6         C  15  -4.749   0.409   4.055
  167   1H5*    U  16          1H5*        U  16  -0.456   4.482   7.254
  168   2H5*    U  16          2H5*        U  16  -0.058   4.707   5.540
  169    H4*    U  16           H4*        U  16   0.484   2.462   7.341
  170    H3*    U  16           H3*        U  16   1.830   3.692   4.969
  171    H2*    U  16           H2*        U  16   2.841   1.584   4.408
  172   2HO*    U  16          2HO*        U  16   3.066   0.005   5.872
  173    H1*    U  16           H1*        U  16   0.560   0.036   4.779
  174    H3     U  16           H3         U  16   1.932   1.277   0.378
  175    H5     U  16           H5         U  16  -1.810   2.938   1.328
  176    H6     U  16           H6         U  16  -1.403   2.342   3.619
  177   1H5*    A  17          1H5*        A  17   6.334   2.952   6.984
  178   2H5*    A  17          2H5*        A  17   6.561   4.645   6.506
  179    H4*    A  17           H4*        A  17   8.111   2.800   5.549
  180    H3*    A  17           H3*        A  17   6.971   5.123   4.033
  181    H2*    A  17           H2*        A  17   7.957   4.287   2.005
  182   2HO*    A  17          2HO*        A  17   9.567   2.985   3.839
  183    H1*    A  17           H1*        A  17   7.254   1.614   2.413
  184    H8     A  17           H8         A  17   4.239   3.194   3.663
  185   1H6     A  17          1H6         A  17   2.545   4.384  -2.174
  186   2H6     A  17          2H6         A  17   2.012   4.324  -0.510
  187    H2     A  17           H2         A  17   6.873   3.205  -2.192
  188   1H5*    A  18          1H5*        A  18  11.787   5.382   3.474
  189   2H5*    A  18          2H5*        A  18  11.865   7.154   3.526
  190    H4*    A  18           H4*        A  18  13.063   5.983   1.622
  191    H3*    A  18           H3*        A  18  11.256   8.337   1.295
  192    H2*    A  18           H2*        A  18  11.396   8.193  -1.102
  193   2HO*    A  18          2HO*        A  18  13.759   7.153  -0.573
  194    H1*    A  18           H1*        A  18  11.013   5.460  -1.286
  195    H8     A  18           H8         A  18   9.021   6.587   1.682
  196   1H6     A  18          1H6         A  18   4.488   8.016  -2.286
  197   2H6     A  18          2H6         A  18   4.909   7.816  -0.601
  198    H2     A  18           H2         A  18   8.192   7.143  -4.659
  199    H1*  OMG  19           H1*      OMG  19  11.491  10.034  -4.414
  200    H2*  OMG  19           H2*      OMG  19  11.875  12.747  -3.921
  201    H3*  OMG  19           H3*      OMG  19  13.160  12.481  -1.908
  202    H4*  OMG  19           H4*      OMG  19  14.780  10.305  -3.167
  203   1HM2  OMG  19          1HM2      OMG  19  11.368  11.930  -6.095
  204   2HM2  OMG  19          2HM2      OMG  19  12.769  11.933  -7.164
  205   3HM2  OMG  19          3HM2      OMG  19  12.205  10.423  -6.453
  206   1H5*  OMG  19          1H5*      OMG  19  14.623   9.186  -1.028
  207   2H5*  OMG  19          2H5*      OMG  19  15.189  10.856  -0.835
  208    H8   OMG  19           H8       OMG  19  11.423  10.371  -0.715
  209    HN1  OMG  19           HN1      OMG  19   5.950  12.163  -3.542
  210   1HN2  OMG  19          1HN2      OMG  19   6.231  12.355  -5.705
  211   2HN2  OMG  19          2HN2      OMG  19   7.770  12.042  -6.478
  212   1H5*    A  20          1H5*        A  20  13.417  13.716  -5.997
  213   2H5*    A  20          2H5*        A  20  14.123  15.337  -5.848
  214    H4*    A  20           H4*        A  20  12.025  15.292  -7.138
  215    H3*    A  20           H3*        A  20  12.222  16.981  -4.671
  216    H2*    A  20           H2*        A  20   9.932  17.609  -4.868
  217   2HO*    A  20          2HO*        A  20  10.358  16.803  -7.545
  218    H1*    A  20           H1*        A  20   8.992  15.124  -5.904
  219    H8     A  20           H8         A  20  11.222  14.991  -2.816
  220   1H6     A  20          1H6         A  20   5.959  15.080   0.451
  221   2H6     A  20          2H6         A  20   7.695  14.877   0.533
  222    H2     A  20           H2         A  20   4.939  15.805  -3.855
  223    H3T    A  20           H3T        A  20  12.761  17.150  -7.262
  Start of MODEL   14
    1    HN1  PSU   1           HN1      PSU   1   0.802  14.263   0.360
    2    HN3  PSU   1           HN3      PSU   1   3.847  15.036  -2.243
    3    H6   PSU   1           H6       PSU   1  -0.820  14.500  -1.389
    4    H1*  PSU   1           H1*      PSU   1   0.062  15.753  -4.727
    5    H2*  PSU   1           H2*      PSU   1  -0.110  12.987  -4.430
    6   *HO2  PSU   1          *HO2      PSU   1  -1.261  14.936  -6.054
    7    H3*  PSU   1           H3*      PSU   1  -1.867  13.007  -2.790
    8    H4*  PSU   1           H4*      PSU   1  -3.341  15.088  -4.360
    9   1H5*  PSU   1          1H5*      PSU   1  -3.790  16.106  -2.169
   10   2H5*  PSU   1          2H5*      PSU   1  -4.352  14.429  -2.298
   11    H5T  PSU   1           H5T      PSU   1  -2.442  13.791  -1.202
   12   1H5*    C   2          1H5*        C   2  -2.589  12.574  -7.362
   13   2H5*    C   2          2H5*        C   2  -2.935  10.846  -7.568
   14    H4*    C   2           H4*        C   2  -1.513  11.698  -9.344
   15    H3*    C   2           H3*        C   2  -0.499   9.528  -7.575
   16    H2*    C   2           H2*        C   2   1.701   9.634  -8.525
   17   2HO*    C   2          2HO*        C   2   1.936  11.269 -10.338
   18    H1*    C   2           H1*        C   2   1.945  12.392  -8.571
   19   1H4     C   2          1H4         C   2   4.161  11.176  -2.775
   20   2H4     C   2          2H4         C   2   2.569  10.728  -2.208
   21    H5     C   2           H5         C   2   0.632  10.639  -3.651
   22    H6     C   2           H6         C   2  -0.167  10.920  -5.935
   23   1H5*    U   3          1H5*        U   3   0.900   8.318 -11.225
   24   2H5*    U   3          2H5*        U   3  -0.130   6.978 -11.764
   25    H4*    U   3           H4*        U   3   1.896   6.143 -12.320
   26    H3*    U   3           H3*        U   3   1.283   5.181  -9.565
   27    H2*    U   3           H2*        U   3   3.496   4.299  -9.288
   28   2HO*    U   3          2HO*        U   3   4.814   4.829 -11.461
   29    H1*    U   3           H1*        U   3   4.874   6.449 -10.372
   30    H3     U   3           H3         U   3   5.701   7.376  -6.087
   31    H5     U   3           H5         U   3   1.551   7.937  -6.392
   32    H6     U   3           H6         U   3   1.682   7.114  -8.648
   33   1H5*    C   4          1H5*        C   4   4.143   2.674 -11.014
   34   2H5*    C   4          2H5*        C   4   3.530   1.016 -10.856
   35    H4*    C   4           H4*        C   4   5.730   1.510  -9.741
   36    H3*    C   4           H3*        C   4   3.445   0.171  -8.361
   37    H2*    C   4           H2*        C   4   4.623   0.191  -6.264
   38   2HO*    C   4          2HO*        C   4   6.865   1.358  -6.554
   39    H1*    C   4           H1*        C   4   5.498   2.813  -6.410
   40   1H4     C   4          1H4         C   4  -0.186   3.324  -3.631
   41   2H4     C   4          2H4         C   4  -0.963   3.365  -5.197
   42    H5     C   4           H5         C   4   0.242   3.026  -7.272
   43    H6     C   4           H6         C   4   2.427   2.581  -8.258
   44    H1*  OMG   5           H1*      OMG   5   6.884  -1.049  -2.547
   45    H2*  OMG   5           H2*      OMG   5   6.140  -3.526  -1.578
   46    H3*  OMG   5           H3*      OMG   5   4.974  -4.248  -3.560
   47    H4*  OMG   5           H4*      OMG   5   7.244  -3.351  -5.287
   48   1HM2  OMG   5          1HM2      OMG   5   9.602  -3.145  -1.204
   49   2HM2  OMG   5          2HM2      OMG   5   8.015  -2.918  -0.473
   50   3HM2  OMG   5          3HM2      OMG   5   8.715  -1.647  -1.474
   51   1H5*  OMG   5          1H5*      OMG   5   5.414  -4.138  -6.524
   52   2H5*  OMG   5          2H5*      OMG   5   4.254  -3.211  -5.553
   53    H8   OMG   5           H8       OMG   5   3.770  -1.210  -4.323
   54    HN1  OMG   5           HN1      OMG   5   2.774  -0.769   1.998
   55   1HN2  OMG   5          1HN2      OMG   5   4.618  -1.193   3.094
   56   2HN2  OMG   5          2HN2      OMG   5   6.115  -1.598   2.284
   57    H1*  OMG   6           H1*      OMG   6   5.570  -3.602   2.416
   58    H2*  OMG   6           H2*      OMG   6   4.243  -6.104   2.597
   59    H3*  OMG   6           H3*      OMG   6   5.080  -6.947   0.511
   60    H4*  OMG   6           H4*      OMG   6   7.738  -5.683   1.150
   61   1HM2  OMG   6          1HM2      OMG   6   5.976  -5.373   5.478
   62   2HM2  OMG   6          2HM2      OMG   6   6.267  -3.960   4.468
   63   3HM2  OMG   6          3HM2      OMG   6   4.672  -4.708   4.497
   64   1H5*  OMG   6          1H5*      OMG   6   7.695  -5.088  -1.300
   65   2H5*  OMG   6          2H5*      OMG   6   7.836  -6.809  -0.898
   66    H8   OMG   6           H8       OMG   6   4.040  -4.443  -0.887
   67    HN1  OMG   6           HN1      OMG   6  -0.105  -2.019   3.368
   68   1HN2  OMG   6          1HN2      OMG   6   0.792  -1.963   5.361
   69   2HN2  OMG   6          2HN2      OMG   6   2.421  -2.522   5.668
   70   1H5*    C   7          1H5*        C   7   5.970  -7.988   4.596
   71   2H5*    C   7          2H5*        C   7   5.667  -9.733   4.722
   72    H4*    C   7           H4*        C   7   4.513  -8.635   6.489
   73    H3*    C   7           H3*        C   7   2.716  -9.737   4.349
   74    H2*    C   7           H2*        C   7   0.808  -8.899   5.543
   75   2HO*    C   7          2HO*        C   7   2.624  -8.243   7.654
   76    H1*    C   7           H1*        C   7   1.980  -6.435   6.263
   77   1H4     C   7          1H4         C   7  -1.294  -4.869   1.087
   78   2H4     C   7          2H4         C   7  -0.153  -5.710   0.062
   79    H5     C   7           H5         C   7   1.695  -7.007   0.934
   80    H6     C   7           H6         C   7   2.831  -7.747   2.963
   81   1H5*    C   8          1H5*        C   8   1.374 -11.256   8.115
   82   2H5*    C   8          2H5*        C   8   1.245 -13.024   8.035
   83    H4*    C   8           H4*        C   8  -0.739 -12.357   9.023
   84    H3*    C   8           H3*        C   8  -1.128 -13.009   6.137
   85    H2*    C   8           H2*        C   8  -3.395 -12.243   6.189
   86   2HO*    C   8          2HO*        C   8  -2.995 -12.368   9.004
   87    H1*    C   8           H1*        C   8  -2.971  -9.972   7.760
   88   1H4     C   8          1H4         C   8  -2.494  -7.401   2.027
   89   2H4     C   8          2H4         C   8  -1.096  -8.376   1.629
   90    H5     C   8           H5         C   8  -0.191 -10.050   3.132
   91    H6     C   8           H6         C   8  -0.475 -11.149   5.291
   92    HN1  PSU   9           HN1      PSU   9  -3.532 -10.174   2.225
   93    HN3  PSU   9           HN3      PSU   9  -7.016  -8.086   2.595
   94    H6   PSU   9           H6       PSU   9  -3.936 -11.314   4.290
   95    H1*  PSU   9           H1*      PSU   9  -5.965 -10.408   6.733
   96    H2*  PSU   9           H2*      PSU   9  -8.119 -11.286   5.134
   97   *HO2  PSU   9          *HO2      PSU   9  -8.067 -12.542   7.540
   98    H3*  PSU   9           H3*      PSU   9  -7.027 -13.322   4.454
   99    H4*  PSU   9           H4*      PSU   9  -6.071 -13.620   7.295
  100   1H5*  PSU   9          1H5*      PSU   9  -5.258 -15.451   6.213
  101   2H5*  PSU   9          2H5*      PSU   9  -5.126 -14.613   4.655
  102   1H5*    U  10          1H5*        U  10  -8.716 -12.733   3.170
  103   2H5*    U  10          2H5*        U  10 -10.396 -12.987   2.656
  104    H4*    U  10           H4*        U  10  -8.520 -13.474   0.986
  105    H3*    U  10           H3*        U  10 -11.001 -14.383   0.885
  106    H2*    U  10           H2*        U  10 -10.748 -16.235   2.429
  107   2HO*    U  10          2HO*        U  10 -11.372 -17.651   0.969
  108    H1*    U  10           H1*        U  10  -8.128 -17.016   1.051
  109    H3     U  10           H3         U  10  -8.343 -20.404   4.071
  110    H5     U  10           H5         U  10  -7.862 -16.918   6.364
  111    H6     U  10           H6         U  10  -8.195 -15.640   4.352
  112   1H5*    U  11          1H5*        U  11 -10.954 -11.449  -1.644
  113   2H5*    U  11          2H5*        U  11 -11.278 -11.370   0.099
  114    H4*    U  11           H4*        U  11 -13.243 -11.705  -2.155
  115    H3*    U  11           H3*        U  11 -12.473  -9.335  -1.253
  116    H2*    U  11           H2*        U  11 -12.794  -9.743   1.108
  117   2HO*    U  11          2HO*        U  11 -15.358  -9.111   1.162
  118    H1*    U  11           H1*        U  11 -15.493 -11.057   0.504
  119    H3     U  11           H3         U  11 -16.091 -12.628   4.610
  120    H5     U  11           H5         U  11 -11.906 -12.402   4.338
  121    H6     U  11           H6         U  11 -12.171 -11.581   2.096
  122   1H5*    U  12          1H5*        U  12 -12.845  -6.459  -3.394
  123   2H5*    U  12          2H5*        U  12 -12.025  -7.954  -2.903
  124    H4*    U  12           H4*        U  12 -11.332  -5.204  -2.403
  125    H3*    U  12           H3*        U  12  -9.890  -7.348  -3.138
  126    H2*    U  12           H2*        U  12 -10.056  -8.604  -1.105
  127   2HO*    U  12          2HO*        U  12  -8.091  -8.396  -0.120
  128    H1*    U  12           H1*        U  12  -9.702  -6.007   0.491
  129    H3     U  12           H3         U  12  -9.907 -10.106   3.082
  130    H5     U  12           H5         U  12 -13.417  -7.813   3.334
  131    H6     U  12           H6         U  12 -12.624  -6.534   1.456
  132    H1*  OMG  13           H1*      OMG  13 -10.066  -5.115   3.883
  133    H2*  OMG  13           H2*      OMG  13  -9.049  -2.559   3.732
  134    H3*  OMG  13           H3*      OMG  13  -9.380  -2.285   1.360
  135    H4*  OMG  13           H4*      OMG  13 -12.190  -3.282   1.576
  136   1HM2  OMG  13          1HM2      OMG  13 -11.485  -2.855   6.220
  137   2HM2  OMG  13          2HM2      OMG  13  -9.954  -3.591   5.751
  138   3HM2  OMG  13          3HM2      OMG  13 -11.471  -4.429   5.429
  139   1H5*  OMG  13          1H5*      OMG  13 -11.915  -4.257  -0.511
  140   2H5*  OMG  13          2H5*      OMG  13 -10.997  -2.741  -0.612
  141    H8   OMG  13           H8       OMG  13  -8.384  -4.053   0.580
  142    HN1  OMG  13           HN1      OMG  13  -4.715  -7.298   4.713
  143   1HN2  OMG  13          1HN2      OMG  13  -5.782  -7.629   6.592
  144   2HN2  OMG  13          2HN2      OMG  13  -7.413  -7.053   6.851
  145   1H5*    G  14          1H5*        G  14 -10.680  -0.543   4.690
  146   2H5*    G  14          2H5*        G  14 -10.051   1.105   4.885
  147    H4*    G  14           H4*        G  14  -9.293  -0.383   6.661
  148    H3*    G  14           H3*        G  14  -7.160   0.734   4.848
  149    H2*    G  14           H2*        G  14  -5.527  -0.398   6.195
  150   2HO*    G  14          2HO*        G  14  -7.283  -1.487   8.026
  151    H1*    G  14           H1*        G  14  -7.088  -2.744   6.561
  152    H8     G  14           H8         G  14  -7.207  -1.648   2.986
  153    H1     G  14           H1         G  14  -1.935  -4.967   4.518
  154   1H2     G  14          1H2         G  14  -1.776  -5.189   6.688
  155   2H2     G  14          2H2         G  14  -2.969  -4.532   7.787
  156   1H5*    C  15          1H5*        C  15  -5.725   0.828   8.536
  157   2H5*    C  15          2H5*        C  15  -5.721   2.518   9.077
  158    H4*    C  15           H4*        C  15  -3.737   1.851   9.924
  159    H3*    C  15           H3*        C  15  -3.162   2.936   7.197
  160    H2*    C  15           H2*        C  15  -0.873   2.209   7.345
  161   2HO*    C  15          2HO*        C  15  -0.653   0.945   9.617
  162    H1*    C  15           H1*        C  15  -1.401  -0.324   8.320
  163   1H4     C  15          1H4         C  15  -1.709  -1.328   2.078
  164   2H4     C  15          2H4         C  15  -3.219  -0.454   1.963
  165    H5     C  15           H5         C  15  -4.242   0.663   3.852
  166    H6     C  15           H6         C  15  -4.016   1.176   6.227
  167   1H5*    U  16          1H5*        U  16   1.561   5.071   8.420
  168   2H5*    U  16          2H5*        U  16   0.649   4.708   6.942
  169    H4*    U  16           H4*        U  16   2.136   2.733   8.670
  170    H3*    U  16           H3*        U  16   2.893   4.049   6.086
  171    H2*    U  16           H2*        U  16   3.777   1.967   5.271
  172   2HO*    U  16          2HO*        U  16   3.300   0.961   7.908
  173    H1*    U  16           H1*        U  16   1.672   0.370   6.169
  174    H3     U  16           H3         U  16   1.829   1.153   1.557
  175    H5     U  16           H5         U  16  -1.188   3.551   3.241
  176    H6     U  16           H6         U  16  -0.294   3.012   5.407
  177   1H5*    A  17          1H5*        A  17   4.949   3.745   4.755
  178   2H5*    A  17          2H5*        A  17   5.724   2.679   5.942
  179    H4*    A  17           H4*        A  17   7.910   3.271   5.096
  180    H3*    A  17           H3*        A  17   6.475   5.269   3.398
  181    H2*    A  17           H2*        A  17   7.882   4.748   1.515
  182   2HO*    A  17          2HO*        A  17   9.671   4.263   3.299
  183    H1*    A  17           H1*        A  17   7.722   1.992   1.762
  184    H8     A  17           H8         A  17   4.361   2.772   2.881
  185   1H6     A  17          1H6         A  17   2.760   3.931  -2.987
  186   2H6     A  17          2H6         A  17   2.167   3.646  -1.367
  187    H2     A  17           H2         A  17   7.237   3.746  -2.776
  188   1H5*    A  18          1H5*        A  18  11.161   5.790   2.981
  189   2H5*    A  18          2H5*        A  18  11.213   7.563   3.015
  190    H4*    A  18           H4*        A  18  12.481   6.390   1.159
  191    H3*    A  18           H3*        A  18  10.641   8.707   0.737
  192    H2*    A  18           H2*        A  18  10.903   8.536  -1.651
  193   2HO*    A  18          2HO*        A  18  13.254   7.748  -1.169
  194    H1*    A  18           H1*        A  18  10.543   5.797  -1.804
  195    H8     A  18           H8         A  18   8.503   7.212   1.061
  196   1H6     A  18          1H6         A  18   3.958   8.002  -3.069
  197   2H6     A  18          2H6         A  18   4.384   8.059  -1.374
  198    H2     A  18           H2         A  18   7.671   6.809  -5.291
  199    H1*  OMG  19           H1*      OMG  19  11.333  10.460  -4.946
  200    H2*  OMG  19           H2*      OMG  19  11.221  13.169  -4.357
  201    H3*  OMG  19           H3*      OMG  19  12.311  13.013  -2.215
  202    H4*  OMG  19           H4*      OMG  19  14.416  11.234  -3.383
  203   1HM2  OMG  19          1HM2      OMG  19  12.265  10.988  -6.865
  204   2HM2  OMG  19          2HM2      OMG  19  11.096  12.278  -6.593
  205   3HM2  OMG  19          3HM2      OMG  19  12.569  12.602  -7.505
  206   1H5*  OMG  19          1H5*      OMG  19  14.281   9.988  -1.318
  207   2H5*  OMG  19          2H5*      OMG  19  14.502  11.720  -0.998
  208    H8   OMG  19           H8       OMG  19  10.937  10.757  -1.239
  209    HN1  OMG  19           HN1      OMG  19   5.452  11.427  -4.496
  210   1HN2  OMG  19          1HN2      OMG  19   5.852  11.657  -6.633
  211   2HN2  OMG  19          2HN2      OMG  19   7.475  11.642  -7.286
  212   1H5*    A  20          1H5*        A  20  13.411  14.582  -5.891
  213   2H5*    A  20          2H5*        A  20  13.800  16.307  -5.737
  214    H4*    A  20           H4*        A  20  12.261  15.914  -7.563
  215    H3*    A  20           H3*        A  20  11.317  17.578  -5.265
  216    H2*    A  20           H2*        A  20   9.124  17.743  -6.219
  217   2HO*    A  20          2HO*        A  20  10.500  16.861  -8.528
  218    H1*    A  20           H1*        A  20   8.905  15.084  -7.030
  219    H8     A  20           H8         A  20  10.708  15.591  -3.705
  220   1H6     A  20          1H6         A  20   5.158  14.849  -1.062
  221   2H6     A  20          2H6         A  20   6.876  15.018  -0.771
  222    H2     A  20           H2         A  20   4.573  14.997  -5.504
  223    H3T    A  20           H3T        A  20  12.815  18.096  -7.082
  Start of MODEL   15
    1    HN1  PSU   1           HN1      PSU   1   3.030  15.470   2.017
    2    HN3  PSU   1           HN3      PSU   1   5.432  15.701  -1.271
    3    H6   PSU   1           H6       PSU   1   1.101  16.037   0.710
    4    H1*  PSU   1           H1*      PSU   1   1.327  17.299  -2.681
    5    H2*  PSU   1           H2*      PSU   1   0.974  14.527  -2.619
    6   *HO2  PSU   1          *HO2      PSU   1  -0.255  16.730  -3.797
    7    H3*  PSU   1           H3*      PSU   1  -0.447  14.476  -0.688
    8    H4*  PSU   1           H4*      PSU   1  -1.958  16.857  -1.692
    9   1H5*  PSU   1          1H5*      PSU   1  -1.717  17.613   0.707
   10   2H5*  PSU   1          2H5*      PSU   1  -2.707  16.174   0.406
   11    H5T  PSU   1           H5T      PSU   1  -0.299  16.440   1.734
   12   1H5*    C   2          1H5*        C   2  -1.747  14.801  -5.056
   13   2H5*    C   2          2H5*        C   2  -2.457  13.211  -5.392
   14    H4*    C   2           H4*        C   2  -1.161  13.996  -7.274
   15    H3*    C   2           H3*        C   2  -0.294  11.505  -5.889
   16    H2*    C   2           H2*        C   2   1.723  11.368  -7.181
   17   2HO*    C   2          2HO*        C   2   0.468  13.404  -8.739
   18    H1*    C   2           H1*        C   2   2.440  14.034  -7.007
   19   1H4     C   2          1H4         C   2   5.202  11.764  -1.791
   20   2H4     C   2          2H4         C   2   3.657  11.596  -0.994
   21    H5     C   2           H5         C   2   1.551  12.051  -2.092
   22    H6     C   2           H6         C   2   0.498  12.714  -4.187
   23   1H5*    U   3          1H5*        U   3   1.024  10.805  -9.306
   24   2H5*    U   3          2H5*        U   3  -0.184   9.885 -10.224
   25    H4*    U   3           H4*        U   3   1.787   8.956 -10.935
   26    H3*    U   3           H3*        U   3   0.570   7.261  -8.804
   27    H2*    U   3           H2*        U   3   2.506   5.841  -8.712
   28   2HO*    U   3          2HO*        U   3   4.288   6.525 -10.285
   29    H1*    U   3           H1*        U   3   4.401   7.849  -8.704
   30    H3     U   3           H3         U   3   4.313   6.665  -4.363
   31    H5     U   3           H5         U   3   0.849   8.986  -4.859
   32    H6     U   3           H6         U   3   1.316   9.037  -7.219
   33   1H5*    C   4          1H5*        C   4   1.491   2.710 -10.735
   34   2H5*    C   4          2H5*        C   4   0.401   2.860  -9.342
   35    H4*    C   4           H4*        C   4   3.209   2.174  -9.452
   36    H3*    C   4           H3*        C   4   1.015   1.892  -7.420
   37    H2*    C   4           H2*        C   4   2.674   1.547  -5.719
   38   2HO*    C   4          2HO*        C   4   4.977   1.652  -6.487
   39    H1*    C   4           H1*        C   4   4.342   3.621  -6.574
   40   1H4     C   4          1H4         C   4   0.540   6.124  -2.117
   41   2H4     C   4          2H4         C   4  -0.523   6.697  -3.383
   42    H5     C   4           H5         C   4  -0.229   6.107  -5.715
   43    H6     C   4           H6         C   4   1.143   4.854  -7.296
   44    H1*  OMG   5           H1*      OMG   5   5.939  -0.437  -3.294
   45    H2*  OMG   5           H2*      OMG   5   5.200  -2.961  -2.482
   46    H3*  OMG   5           H3*      OMG   5   3.968  -3.551  -4.462
   47    H4*  OMG   5           H4*      OMG   5   6.156  -2.578  -6.238
   48   1HM2  OMG   5          1HM2      OMG   5   7.126  -1.511  -1.751
   49   2HM2  OMG   5          2HM2      OMG   5   8.687  -1.957  -2.438
   50   3HM2  OMG   5          3HM2      OMG   5   7.736  -3.154  -1.561
   51   1H5*  OMG   5          1H5*      OMG   5   4.526  -2.757  -7.715
   52   2H5*  OMG   5          2H5*      OMG   5   3.296  -2.906  -6.445
   53    H8   OMG   5           H8       OMG   5   2.794  -0.519  -5.056
   54    HN1  OMG   5           HN1      OMG   5   1.884  -0.317   1.288
   55   1HN2  OMG   5          1HN2      OMG   5   3.743  -0.786   2.344
   56   2HN2  OMG   5          2HN2      OMG   5   5.230  -1.157   1.498
   57    H1*  OMG   6           H1*      OMG   6   4.954  -3.051   1.034
   58    H2*  OMG   6           H2*      OMG   6   3.616  -5.398   1.811
   59    H3*  OMG   6           H3*      OMG   6   4.157  -6.636  -0.181
   60    H4*  OMG   6           H4*      OMG   6   6.953  -5.535  -0.025
   61   1HM2  OMG   6          1HM2      OMG   6   5.784  -4.400   4.331
   62   2HM2  OMG   6          2HM2      OMG   6   5.515  -3.112   3.159
   63   3HM2  OMG   6          3HM2      OMG   6   4.187  -4.175   3.620
   64   1H5*  OMG   6          1H5*      OMG   6   7.064  -5.663  -2.345
   65   2H5*  OMG   6          2H5*      OMG   6   6.210  -7.138  -1.851
   66    H8   OMG   6           H8       OMG   6   3.378  -4.123  -2.086
   67    HN1  OMG   6           HN1      OMG   6  -0.869  -1.774   2.108
   68   1HN2  OMG   6          1HN2      OMG   6   0.023  -1.626   4.099
   69   2HN2  OMG   6          2HN2      OMG   6   1.675  -2.104   4.421
   70   1H5*    C   7          1H5*        C   7   5.427  -8.074   3.767
   71   2H5*    C   7          2H5*        C   7   4.693  -9.674   3.993
   72    H4*    C   7           H4*        C   7   4.043  -8.103   5.744
   73    H3*    C   7           H3*        C   7   1.868  -9.194   3.980
   74    H2*    C   7           H2*        C   7   0.259  -7.896   5.209
   75   2HO*    C   7          2HO*        C   7   1.706  -6.567   6.980
   76    H1*    C   7           H1*        C   7   1.815  -5.566   5.331
   77   1H4     C   7          1H4         C   7  -1.921  -4.787   0.257
   78   2H4     C   7          2H4         C   7  -0.760  -5.641  -0.735
   79    H5     C   7           H5         C   7   1.207  -6.720   0.178
   80    H6     C   7           H6         C   7   2.445  -7.211   2.221
   81   1H5*    C   8          1H5*        C   8   1.151  -9.701   8.285
   82   2H5*    C   8          2H5*        C   8   0.646 -11.377   8.580
   83    H4*    C   8           H4*        C   8  -0.652  -9.812   9.901
   84    H3*    C   8           H3*        C   8  -2.062 -11.499   7.882
   85    H2*    C   8           H2*        C   8  -4.147 -10.368   8.301
   86   2HO*    C   8          2HO*        C   8  -2.754  -8.978  10.378
   87    H1*    C   8           H1*        C   8  -3.148  -7.805   8.206
   88   1H4     C   8          1H4         C   8  -4.436  -9.230   2.134
   89   2H4     C   8          2H4         C   8  -2.775  -9.734   1.919
   90    H5     C   8           H5         C   8  -1.199  -9.890   3.747
   91    H6     C   8           H6         C   8  -0.877  -9.533   6.138
   92    HN1  PSU   9           HN1      PSU   9  -4.204 -11.971   4.790
   93    HN3  PSU   9           HN3      PSU   9  -7.226 -10.000   2.887
   94    H6   PSU   9           H6       PSU   9  -5.251 -11.626   6.918
   95    H1*  PSU   9           H1*      PSU   9  -8.187  -9.464   7.339
   96    H2*  PSU   9           H2*      PSU   9  -8.543 -12.266   7.069
   97   *HO2  PSU   9          *HO2      PSU   9  -9.392 -10.240   8.843
   98    H3*  PSU   9           H3*      PSU   9  -6.685 -12.833   8.485
   99    H4*  PSU   9           H4*      PSU   9  -7.508 -10.558  10.282
  100   1H5*  PSU   9          1H5*      PSU   9  -5.027 -10.220  10.491
  101   2H5*  PSU   9          2H5*      PSU   9  -5.675 -11.716  11.189
  102   1H5*    U  10          1H5*        U  10 -11.003 -12.622   7.291
  103   2H5*    U  10          2H5*        U  10 -11.388 -14.352   7.384
  104    H4*    U  10           H4*        U  10 -10.172 -12.798   5.235
  105    H3*    U  10           H3*        U  10 -12.281 -14.367   5.144
  106    H2*    U  10           H2*        U  10 -11.264 -16.388   6.012
  107   2HO*    U  10          2HO*        U  10 -11.158 -17.739   4.268
  108    H1*    U  10           H1*        U  10  -8.848 -16.016   4.180
  109    H3     U  10           H3         U  10  -8.511 -19.990   6.724
  110    H5     U  10           H5         U  10  -6.662 -16.820   8.767
  111    H6     U  10           H6         U  10  -7.705 -15.309   7.210
  112   1H5*    U  11          1H5*        U  11 -10.489 -11.150   1.247
  113   2H5*    U  11          2H5*        U  11 -12.124 -11.030   0.567
  114    H4*    U  11           H4*        U  11 -10.945 -11.193  -1.349
  115    H3*    U  11           H3*        U  11 -12.373 -13.381  -1.065
  116    H2*    U  11           H2*        U  11 -10.850 -14.678   0.273
  117   2HO*    U  11          2HO*        U  11 -11.247 -15.861  -1.692
  118    H1*    U  11           H1*        U  11  -8.478 -13.930  -1.484
  119    H3     U  11           H3         U  11  -5.780 -15.872   1.472
  120    H5     U  11           H5         U  11  -8.378 -13.647   3.909
  121    H6     U  11           H6         U  11  -9.582 -13.022   1.924
  122   1H5*    U  12          1H5*        U  12 -11.820  -9.353  -3.937
  123   2H5*    U  12          2H5*        U  12 -10.268  -9.829  -4.654
  124    H4*    U  12           H4*        U  12 -10.879  -7.891  -2.525
  125    H3*    U  12           H3*        U  12  -9.749  -7.490  -4.909
  126    H2*    U  12           H2*        U  12  -7.854  -8.973  -4.623
  127   2HO*    U  12          2HO*        U  12  -6.468  -7.384  -4.914
  128    H1*    U  12           H1*        U  12  -7.505  -7.870  -1.779
  129    H3     U  12           H3         U  12  -4.040 -10.897  -3.244
  130    H5     U  12           H5         U  12  -6.804 -12.749  -0.680
  131    H6     U  12           H6         U  12  -8.245 -10.846  -0.985
  132    H1*  OMG  13           H1*      OMG  13 -11.035  -6.195   2.759
  133    H2*  OMG  13           H2*      OMG  13  -9.714  -3.809   2.323
  134    H3*  OMG  13           H3*      OMG  13 -10.284  -3.603  -0.008
  135    H4*  OMG  13           H4*      OMG  13 -13.140  -4.268   0.571
  136   1HM2  OMG  13          1HM2      OMG  13 -12.080  -5.237   4.440
  137   2HM2  OMG  13          2HM2      OMG  13 -11.822  -3.616   5.079
  138   3HM2  OMG  13          3HM2      OMG  13 -10.454  -4.561   4.492
  139   1H5*  OMG  13          1H5*      OMG  13 -12.972  -5.692  -1.437
  140   2H5*  OMG  13          2H5*      OMG  13 -12.582  -3.985  -1.730
  141    H8   OMG  13           H8       OMG  13  -9.865  -6.266  -0.803
  142    HN1  OMG  13           HN1      OMG  13  -5.364  -7.785   3.499
  143   1HN2  OMG  13          1HN2      OMG  13  -6.037  -7.315   5.516
  144   2HN2  OMG  13          2HN2      OMG  13  -7.611  -6.620   5.832
  145   1H5*    G  14          1H5*        G  14 -11.487  -1.327   3.168
  146   2H5*    G  14          2H5*        G  14 -10.911   0.352   3.160
  147    H4*    G  14           H4*        G  14 -10.295  -0.823   5.207
  148    H3*    G  14           H3*        G  14  -8.076   0.162   3.439
  149    H2*    G  14           H2*        G  14  -6.472  -0.744   4.991
  150   2HO*    G  14          2HO*        G  14  -8.127  -1.897   6.795
  151    H1*    G  14           H1*        G  14  -7.796  -3.178   5.366
  152    H8     G  14           H8         G  14  -8.249  -2.274   1.785
  153    H1     G  14           H1         G  14  -2.473  -4.741   3.086
  154   1H2     G  14          1H2         G  14  -2.148  -4.827   5.251
  155   2H2     G  14          2H2         G  14  -3.352  -4.284   6.400
  156   1H5*    C  15          1H5*        C  15  -6.838   0.590   7.171
  157   2H5*    C  15          2H5*        C  15  -6.921   2.316   7.577
  158    H4*    C  15           H4*        C  15  -4.968   1.728   8.585
  159    H3*    C  15           H3*        C  15  -4.305   2.799   5.873
  160    H2*    C  15           H2*        C  15  -1.990   2.198   6.155
  161   2HO*    C  15          2HO*        C  15  -2.694   1.376   8.801
  162    H1*    C  15           H1*        C  15  -2.439  -0.357   7.079
  163   1H4     C  15          1H4         C  15  -2.526  -1.268   0.809
  164   2H4     C  15          2H4         C  15  -4.100  -0.518   0.680
  165    H5     C  15           H5         C  15  -5.243   0.482   2.563
  166    H6     C  15           H6         C  15  -5.106   0.973   4.949
  167   1H5*    U  16          1H5*        U  16   0.229   5.559   7.545
  168   2H5*    U  16          2H5*        U  16  -0.628   5.197   6.034
  169    H4*    U  16           H4*        U  16   0.577   3.166   7.909
  170    H3*    U  16           H3*        U  16   1.700   4.393   5.412
  171    H2*    U  16           H2*        U  16   2.535   2.237   4.739
  172   2HO*    U  16          2HO*        U  16   1.779   0.529   6.533
  173    H1*    U  16           H1*        U  16   0.221   0.818   5.396
  174    H3     U  16           H3         U  16   1.088   1.673   0.826
  175    H5     U  16           H5         U  16  -2.193   3.957   2.122
  176    H6     U  16           H6         U  16  -1.589   3.398   4.381
  177   1H5*    A  17          1H5*        A  17   6.496   3.241   7.086
  178   2H5*    A  17          2H5*        A  17   6.693   4.877   6.430
  179    H4*    A  17           H4*        A  17   8.056   2.847   5.487
  180    H3*    A  17           H3*        A  17   6.955   5.178   3.959
  181    H2*    A  17           H2*        A  17   7.667   4.173   1.893
  182   2HO*    A  17          2HO*        A  17   9.670   3.351   2.523
  183    H1*    A  17           H1*        A  17   6.782   1.600   2.488
  184    H8     A  17           H8         A  17   4.115   3.577   4.007
  185   1H6     A  17          1H6         A  17   1.797   4.561  -1.649
  186   2H6     A  17          2H6         A  17   1.485   4.674   0.068
  187    H2     A  17           H2         A  17   5.933   2.890  -2.112
  188   1H5*    A  18          1H5*        A  18  11.783   4.626   2.775
  189   2H5*    A  18          2H5*        A  18  12.004   6.384   2.685
  190    H4*    A  18           H4*        A  18  12.887   4.994   0.760
  191    H3*    A  18           H3*        A  18  11.253   7.470   0.454
  192    H2*    A  18           H2*        A  18  11.081   7.158  -1.922
  193   2HO*    A  18          2HO*        A  18  12.365   4.841  -2.301
  194    H1*    A  18           H1*        A  18  10.490   4.454  -1.867
  195    H8     A  18           H8         A  18   8.908   5.853   1.210
  196   1H6     A  18          1H6         A  18   4.102   7.480  -2.340
  197   2H6     A  18          2H6         A  18   4.679   7.301  -0.698
  198    H2     A  18           H2         A  18   7.477   6.263  -5.035
  199    H1*  OMG  19           H1*      OMG  19  11.191   8.908  -5.402
  200    H2*  OMG  19           H2*      OMG  19  11.897  11.564  -5.088
  201    H3*  OMG  19           H3*      OMG  19  13.347  11.264  -3.196
  202    H4*  OMG  19           H4*      OMG  19  14.685   8.915  -4.450
  203   1HM2  OMG  19          1HM2      OMG  19  11.139  10.806  -7.182
  204   2HM2  OMG  19          2HM2      OMG  19  12.420  10.551  -8.365
  205   3HM2  OMG  19          3HM2      OMG  19  11.717   9.176  -7.519
  206   1H5*  OMG  19          1H5*      OMG  19  14.538   7.883  -2.269
  207   2H5*  OMG  19          2H5*      OMG  19  15.234   9.512  -2.159
  208    H8   OMG  19           H8       OMG  19  11.697   9.263  -1.746
  209    HN1  OMG  19           HN1      OMG  19   6.094  11.642  -3.772
  210   1HN2  OMG  19          1HN2      OMG  19   6.074  11.803  -5.953
  211   2HN2  OMG  19          2HN2      OMG  19   7.440  11.326  -6.938
  212   1H5*    A  20          1H5*        A  20  13.293  12.353  -7.317
  213   2H5*    A  20          2H5*        A  20  14.141  13.913  -7.299
  214    H4*    A  20           H4*        A  20  11.913  14.003  -8.355
  215    H3*    A  20           H3*        A  20  12.563  15.759  -6.022
  216    H2*    A  20           H2*        A  20  10.324  16.578  -5.933
  217   2HO*    A  20          2HO*        A  20  10.398  15.792  -8.607
  218    H1*    A  20           H1*        A  20   9.031  14.158  -6.640
  219    H8     A  20           H8         A  20  11.794  13.923  -4.020
  220   1H6     A  20          1H6         A  20   7.281  14.584   0.169
  221   2H6     A  20          2H6         A  20   8.977  14.228  -0.068
  222    H2     A  20           H2         A  20   5.516  15.258  -3.897
  223    H3T    A  20           H3T        A  20  13.255  15.912  -8.302
  Start of MODEL   16
    1    HN1  PSU   1           HN1      PSU   1   1.834  13.911   1.633
    2    HN3  PSU   1           HN3      PSU   1   4.771  14.818  -1.049
    3    H6   PSU   1           H6       PSU   1   0.140  14.630   0.097
    4    H1*  PSU   1           H1*      PSU   1   0.951  16.277  -3.099
    5    H2*  PSU   1           H2*      PSU   1   0.366  13.538  -3.052
    6   *HO2  PSU   1          *HO2      PSU   1   0.169  15.390  -4.717
    7    H3*  PSU   1           H3*      PSU   1  -1.328  13.657  -1.359
    8    H4*  PSU   1           H4*      PSU   1  -2.425  16.148  -2.616
    9   1H5*  PSU   1          1H5*      PSU   1  -2.560  16.934  -0.239
   10   2H5*  PSU   1          2H5*      PSU   1  -3.570  15.539  -0.660
   11    H5T  PSU   1           H5T      PSU   1  -1.956  14.194   0.246
   12   1H5*    C   2          1H5*        C   2  -2.218  13.928  -5.896
   13   2H5*    C   2          2H5*        C   2  -2.789  12.309  -6.348
   14    H4*    C   2           H4*        C   2  -1.256  13.220  -7.999
   15    H3*    C   2           H3*        C   2  -0.510  10.705  -6.574
   16    H2*    C   2           H2*        C   2   1.656  10.675  -7.610
   17   2HO*    C   2          2HO*        C   2   0.545  11.606  -9.646
   18    H1*    C   2           H1*        C   2   2.231  13.372  -7.284
   19   1H4     C   2          1H4         C   2   4.572  11.067  -1.885
   20   2H4     C   2          2H4         C   2   2.968  10.711  -1.285
   21    H5     C   2           H5         C   2   0.966  11.044  -2.598
   22    H6     C   2           H6         C   2   0.094  11.755  -4.760
   23   1H5*    U   3          1H5*        U   3   0.968   9.987 -10.290
   24   2H5*    U   3          2H5*        U   3  -0.179   8.864 -11.046
   25    H4*    U   3           H4*        U   3   1.779   7.922 -11.687
   26    H3*    U   3           H3*        U   3   0.911   6.588  -9.169
   27    H2*    U   3           H2*        U   3   3.001   5.429  -8.946
   28   2HO*    U   3          2HO*        U   3   3.043   5.851 -11.644
   29    H1*    U   3           H1*        U   3   4.659   7.558  -9.543
   30    H3     U   3           H3         U   3   5.171   7.660  -5.108
   31    H5     U   3           H5         U   3   1.165   8.803  -5.628
   32    H6     U   3           H6         U   3   1.419   8.348  -7.977
   33   1H5*    C   4          1H5*        C   4   3.622   3.784 -11.308
   34   2H5*    C   4          2H5*        C   4   2.730   2.258 -11.150
   35    H4*    C   4           H4*        C   4   5.102   2.452 -10.162
   36    H3*    C   4           H3*        C   4   2.755   1.132  -8.858
   37    H2*    C   4           H2*        C   4   4.040   0.751  -6.860
   38   2HO*    C   4          2HO*        C   4   6.082   0.886  -8.630
   39    H1*    C   4           H1*        C   4   5.180   3.285  -6.736
   40   1H4     C   4          1H4         C   4  -0.154   3.880  -3.349
   41   2H4     C   4          2H4         C   4  -1.047   4.249  -4.807
   42    H5     C   4           H5         C   4  -0.063   4.136  -7.018
   43    H6     C   4           H6         C   4   1.962   3.616  -8.274
   44    H1*  OMG   5           H1*      OMG   5   6.564  -0.354  -3.494
   45    H2*  OMG   5           H2*      OMG   5   5.991  -2.891  -2.591
   46    H3*  OMG   5           H3*      OMG   5   4.785  -3.613  -4.546
   47    H4*  OMG   5           H4*      OMG   5   6.922  -2.570  -6.350
   48   1HM2  OMG   5          1HM2      OMG   5   7.839  -2.106  -1.558
   49   2HM2  OMG   5          2HM2      OMG   5   8.514  -0.858  -2.603
   50   3HM2  OMG   5          3HM2      OMG   5   9.418  -2.340  -2.304
   51   1H5*  OMG   5          1H5*      OMG   5   5.054  -3.380  -7.509
   52   2H5*  OMG   5          2H5*      OMG   5   3.920  -2.525  -6.444
   53    H8   OMG   5           H8       OMG   5   3.433  -0.602  -5.219
   54    HN1  OMG   5           HN1      OMG   5   2.525  -0.469   1.129
   55   1HN2  OMG   5          1HN2      OMG   5   4.408  -0.845   2.179
   56   2HN2  OMG   5          2HN2      OMG   5   5.909  -1.141   1.330
   57    H1*  OMG   6           H1*      OMG   6   5.628  -3.126   1.169
   58    H2*  OMG   6           H2*      OMG   6   4.332  -5.553   1.723
   59    H3*  OMG   6           H3*      OMG   6   5.012  -6.637  -0.317
   60    H4*  OMG   6           H4*      OMG   6   7.761  -5.479   0.079
   61   1HM2  OMG   6          1HM2      OMG   6   6.131  -3.298   3.301
   62   2HM2  OMG   6          2HM2      OMG   6   4.777  -4.382   3.611
   63   3HM2  OMG   6          3HM2      OMG   6   6.325  -4.653   4.411
   64   1H5*  OMG   6          1H5*      OMG   6   7.980  -5.407  -2.257
   65   2H5*  OMG   6          2H5*      OMG   6   7.247  -6.977  -1.874
   66    H8   OMG   6           H8       OMG   6   4.238  -4.109  -2.086
   67    HN1  OMG   6           HN1      OMG   6  -0.249  -2.005   1.989
   68   1HN2  OMG   6          1HN2      OMG   6   0.550  -1.901   4.019
   69   2HN2  OMG   6          2HN2      OMG   6   2.198  -2.350   4.398
   70   1H5*    C   7          1H5*        C   7   6.125  -8.269   3.604
   71   2H5*    C   7          2H5*        C   7   5.423  -9.895   3.710
   72    H4*    C   7           H4*        C   7   4.665  -8.441   5.517
   73    H3*    C   7           H3*        C   7   2.589  -9.481   3.608
   74    H2*    C   7           H2*        C   7   0.901  -8.290   4.845
   75   2HO*    C   7          2HO*        C   7   1.918  -7.024   6.768
   76    H1*    C   7           H1*        C   7   2.380  -5.934   5.140
   77   1H4     C   7          1H4         C   7  -1.159  -5.033  -0.055
   78   2H4     C   7          2H4         C   7   0.072  -5.800  -1.033
   79    H5     C   7           H5         C   7   2.037  -6.856  -0.084
   80    H6     C   7           H6         C   7   3.200  -7.406   1.987
   81   1H5*    C   8          1H5*        C   8   1.639 -10.761   7.939
   82   2H5*    C   8          2H5*        C   8   0.909 -12.371   7.776
   83    H4*    C   8           H4*        C   8  -0.324 -10.783   9.251
   84    H3*    C   8           H3*        C   8  -1.639 -12.222   6.991
   85    H2*    C   8           H2*        C   8  -3.692 -11.016   7.330
   86   2HO*    C   8          2HO*        C   8  -3.158  -9.291   9.245
   87    H1*    C   8           H1*        C   8  -2.562  -8.513   7.548
   88   1H4     C   8          1H4         C   8  -3.436  -9.348   1.290
   89   2H4     C   8          2H4         C   8  -1.764  -9.841   1.155
   90    H5     C   8           H5         C   8  -0.328 -10.179   3.071
   91    H6     C   8           H6         C   8  -0.193 -10.073   5.505
   92    HN1  PSU   9           HN1      PSU   9  -2.629 -12.766   4.185
   93    HN3  PSU   9           HN3      PSU   9  -5.273 -11.653   1.283
   94    H6   PSU   9           H6       PSU   9  -4.311 -12.526   5.876
   95    H1*  PSU   9           H1*      PSU   9  -7.642 -11.116   5.148
   96    H2*  PSU   9           H2*      PSU   9  -7.227 -13.912   5.308
   97   *HO2  PSU   9          *HO2      PSU   9  -8.936 -12.260   6.902
   98    H3*  PSU   9           H3*      PSU   9  -5.710 -13.770   7.174
   99    H4*  PSU   9           H4*      PSU   9  -7.543 -11.690   8.356
  100   1H5*  PSU   9          1H5*      PSU   9  -5.211 -10.634   8.873
  101   2H5*  PSU   9          2H5*      PSU   9  -5.862 -11.947   9.872
  102   1H5*    U  10          1H5*        U  10  -9.754 -15.862   5.645
  103   2H5*    U  10          2H5*        U  10  -9.666 -14.206   6.277
  104    H4*    U  10           H4*        U  10 -11.853 -16.224   6.497
  105    H3*    U  10           H3*        U  10 -11.796 -14.146   4.844
  106    H2*    U  10           H2*        U  10 -11.350 -12.421   6.485
  107   2HO*    U  10          2HO*        U  10 -14.170 -12.803   6.283
  108    H1*    U  10           H1*        U  10 -13.438 -13.684   8.339
  109    H3     U  10           H3         U  10 -12.518 -10.368  11.216
  110    H5     U  10           H5         U  10  -8.755 -12.049  10.408
  111    H6     U  10           H6         U  10  -9.816 -13.434   8.751
  112   1H5*    U  11          1H5*        U  11 -13.062 -15.568   1.604
  113   2H5*    U  11          2H5*        U  11 -11.545 -14.763   2.053
  114    H4*    U  11           H4*        U  11 -13.771 -13.838   0.326
  115    H3*    U  11           H3*        U  11 -11.328 -14.523  -0.429
  116    H2*    U  11           H2*        U  11 -10.066 -13.072   1.029
  117   2HO*    U  11          2HO*        U  11  -9.886 -12.490  -1.386
  118    H1*    U  11           H1*        U  11 -11.958 -10.747   0.434
  119    H3     U  11           H3         U  11 -10.363  -8.182   3.683
  120    H5     U  11           H5         U  11  -9.635 -12.048   5.156
  121    H6     U  11           H6         U  11 -10.632 -12.919   3.148
  122   1H5*    U  12          1H5*        U  12 -12.646  -8.801  -0.468
  123   2H5*    U  12          2H5*        U  12 -13.364  -9.129  -2.057
  124    H4*    U  12           H4*        U  12 -11.485  -7.382  -1.839
  125    H3*    U  12           H3*        U  12 -12.207  -9.061  -4.018
  126    H2*    U  12           H2*        U  12 -10.145 -10.137  -4.313
  127   2HO*    U  12          2HO*        U  12  -9.558  -8.811  -5.904
  128    H1*    U  12           H1*        U  12  -8.700  -7.943  -2.733
  129    H3     U  12           H3         U  12  -5.916 -11.580  -4.257
  130    H5     U  12           H5         U  12  -6.900 -11.920  -0.188
  131    H6     U  12           H6         U  12  -8.567 -10.217  -0.528
  132    H1*  OMG  13           H1*      OMG  13 -10.531  -6.544   2.221
  133    H2*  OMG  13           H2*      OMG  13  -9.175  -4.166   1.863
  134    H3*  OMG  13           H3*      OMG  13  -9.838  -3.842  -0.435
  135    H4*  OMG  13           H4*      OMG  13 -12.684  -4.438   0.277
  136   1HM2  OMG  13          1HM2      OMG  13 -11.191  -4.106   4.709
  137   2HM2  OMG  13          2HM2      OMG  13  -9.883  -5.063   4.017
  138   3HM2  OMG  13          3HM2      OMG  13 -11.539  -5.664   3.966
  139   1H5*  OMG  13          1H5*      OMG  13 -12.926  -5.400  -1.822
  140   2H5*  OMG  13          2H5*      OMG  13 -11.862  -4.005  -2.090
  141    H8   OMG  13           H8       OMG  13  -9.515  -6.379  -1.393
  142    HN1  OMG  13           HN1      OMG  13  -4.899  -8.365   2.583
  143   1HN2  OMG  13          1HN2      OMG  13  -5.477  -8.039   4.657
  144   2HN2  OMG  13          2HN2      OMG  13  -7.016  -7.331   5.093
  145   1H5*    G  14          1H5*        G  14 -10.963  -1.717   2.881
  146   2H5*    G  14          2H5*        G  14 -10.413  -0.031   2.964
  147    H4*    G  14           H4*        G  14  -9.829  -1.284   4.970
  148    H3*    G  14           H3*        G  14  -7.586  -0.193   3.299
  149    H2*    G  14           H2*        G  14  -5.997  -1.153   4.832
  150   2HO*    G  14          2HO*        G  14  -7.307  -2.444   6.633
  151    H1*    G  14           H1*        G  14  -7.284  -3.622   5.064
  152    H8     G  14           H8         G  14  -7.730  -2.549   1.529
  153    H1     G  14           H1         G  14  -1.915  -4.968   2.746
  154   1H2     G  14          1H2         G  14  -1.604  -5.160   4.905
  155   2H2     G  14          2H2         G  14  -2.824  -4.698   6.071
  156   1H5*    C  15          1H5*        C  15  -6.382   0.016   6.966
  157   2H5*    C  15          2H5*        C  15  -6.578   1.686   7.533
  158    H4*    C  15           H4*        C  15  -4.617   1.175   8.534
  159    H3*    C  15           H3*        C  15  -3.928   2.385   5.888
  160    H2*    C  15           H2*        C  15  -1.596   1.871   6.217
  161   2HO*    C  15          2HO*        C  15  -1.096   0.718   8.299
  162    H1*    C  15           H1*        C  15  -1.966  -0.741   7.006
  163   1H4     C  15          1H4         C  15  -1.866  -1.365   0.701
  164   2H4     C  15          2H4         C  15  -3.468  -0.680   0.566
  165    H5     C  15           H5         C  15  -4.698   0.184   2.464
  166    H6     C  15           H6         C  15  -4.637   0.571   4.871
  167   1H5*    U  16          1H5*        U  16   0.386   5.167   7.051
  168   2H5*    U  16          2H5*        U  16  -0.618   4.536   5.731
  169    H4*    U  16           H4*        U  16   0.845   2.779   7.688
  170    H3*    U  16           H3*        U  16   1.915   3.984   5.160
  171    H2*    U  16           H2*        U  16   2.906   1.868   4.574
  172   2HO*    U  16          2HO*        U  16   2.055   1.009   7.169
  173    H1*    U  16           H1*        U  16   0.673   0.326   5.201
  174    H3     U  16           H3         U  16   1.660   1.489   0.658
  175    H5     U  16           H5         U  16  -2.049   3.044   1.882
  176    H6     U  16           H6         U  16  -1.429   2.522   4.146
  177   1H5*    A  17          1H5*        A  17   5.985   2.817   6.739
  178   2H5*    A  17          2H5*        A  17   6.708   4.438   6.760
  179    H4*    A  17           H4*        A  17   8.119   2.894   5.560
  180    H3*    A  17           H3*        A  17   6.877   5.096   3.942
  181    H2*    A  17           H2*        A  17   7.959   4.236   1.972
  182   2HO*    A  17          2HO*        A  17   9.469   2.479   2.191
  183    H1*    A  17           H1*        A  17   7.383   1.546   2.487
  184    H8     A  17           H8         A  17   4.311   3.239   3.584
  185   1H6     A  17          1H6         A  17   2.638   3.673  -2.363
  186   2H6     A  17          2H6         A  17   2.100   3.830  -0.705
  187    H2     A  17           H2         A  17   6.958   2.479  -2.215
  188   1H5*    A  18          1H5*        A  18  11.565   5.605   3.471
  189   2H5*    A  18          2H5*        A  18  11.654   7.373   3.335
  190    H4*    A  18           H4*        A  18  12.819   6.000   1.550
  191    H3*    A  18           H3*        A  18  10.993   8.298   0.964
  192    H2*    A  18           H2*        A  18  11.217   7.896  -1.403
  193   2HO*    A  18          2HO*        A  18  12.697   5.715  -1.557
  194    H1*    A  18           H1*        A  18  10.843   5.152  -1.271
  195    H8     A  18           H8         A  18   8.706   6.543   1.449
  196   1H6     A  18          1H6         A  18   4.390   7.619  -2.857
  197   2H6     A  18          2H6         A  18   4.722   7.560  -1.140
  198    H2     A  18           H2         A  18   8.214   6.570  -4.952
  199    H1*  OMG  19           H1*      OMG  19  11.496   9.900  -4.635
  200    H2*  OMG  19           H2*      OMG  19  11.474  12.621  -4.175
  201    H3*  OMG  19           H3*      OMG  19  12.644  12.540  -2.069
  202    H4*  OMG  19           H4*      OMG  19  14.714  10.722  -3.231
  203   1HM2  OMG  19          1HM2      OMG  19  12.747  11.971  -7.346
  204   2HM2  OMG  19          2HM2      OMG  19  12.185  10.454  -6.648
  205   3HM2  OMG  19          3HM2      OMG  19  11.269  11.936  -6.388
  206   1H5*  OMG  19          1H5*      OMG  19  14.617   9.535  -1.131
  207   2H5*  OMG  19          2H5*      OMG  19  14.835  11.276  -0.862
  208    H8   OMG  19           H8       OMG  19  11.383  10.030  -0.955
  209    HN1  OMG  19           HN1      OMG  19   5.752  11.473  -3.665
  210   1HN2  OMG  19          1HN2      OMG  19   6.006  11.843  -5.808
  211   2HN2  OMG  19          2HN2      OMG  19   7.564  11.736  -6.596
  212   1H5*    A  20          1H5*        A  20  14.257  15.680  -5.029
  213   2H5*    A  20          2H5*        A  20  14.050  17.119  -4.013
  214    H4*    A  20           H4*        A  20  12.756  17.062  -6.175
  215    H3*    A  20           H3*        A  20  11.463  17.645  -3.534
  216    H2*    A  20           H2*        A  20   9.327  17.850  -4.645
  217   2HO*    A  20          2HO*        A  20  10.008  17.093  -7.146
  218    H1*    A  20           H1*        A  20   9.557  15.481  -6.038
  219    H8     A  20           H8         A  20  11.497  14.850  -2.931
  220   1H6     A  20          1H6         A  20   6.119  13.715  -0.080
  221   2H6     A  20          2H6         A  20   7.860  13.620   0.051
  222    H2     A  20           H2         A  20   5.215  15.481  -4.102
  223    H3T    A  20           H3T        A  20  12.514  19.323  -4.163
  Start of MODEL   17
    1    HN1  PSU   1           HN1      PSU   1  -0.017  11.986   1.730
    2    HN3  PSU   1           HN3      PSU   1   2.092  12.881  -1.645
    3    H6   PSU   1           H6       PSU   1  -2.086  12.494   0.631
    4    H1*  PSU   1           H1*      PSU   1  -2.414  14.361  -2.209
    5    H2*  PSU   1           H2*      PSU   1  -1.815  11.961  -3.486
    6   *HO2  PSU   1          *HO2      PSU   1  -4.354  12.696  -4.072
    7    H3*  PSU   1           H3*      PSU   1  -2.967  10.533  -1.934
    8    H4*  PSU   1           H4*      PSU   1  -5.300  12.404  -1.875
    9   1H5*  PSU   1          1H5*      PSU   1  -5.346  11.969   0.518
   10   2H5*  PSU   1          2H5*      PSU   1  -5.386  10.474  -0.433
   11    H5T  PSU   1           H5T      PSU   1  -3.842  10.033   0.986
   12   1H5*    C   2          1H5*        C   2  -3.535  11.697  -5.825
   13   2H5*    C   2          2H5*        C   2  -4.352  10.327  -6.604
   14    H4*    C   2           H4*        C   2  -2.947  11.002  -8.264
   15    H3*    C   2           H3*        C   2  -1.651   8.783  -6.754
   16    H2*    C   2           H2*        C   2   0.430   9.082  -7.915
   17   2HO*    C   2          2HO*        C   2   0.415   9.856  -9.899
   18    H1*    C   2           H1*        C   2   0.518  11.846  -7.767
   19   1H4     C   2          1H4         C   2   3.417  10.179  -2.386
   20   2H4     C   2          2H4         C   2   1.876   9.885  -1.616
   21    H5     C   2           H5         C   2  -0.234  10.016  -2.795
   22    H6     C   2           H6         C   2  -1.287  10.418  -4.956
   23   1H5*    U   3          1H5*        U   3  -0.430   7.427 -10.473
   24   2H5*    U   3          2H5*        U   3  -1.559   6.101 -10.814
   25    H4*    U   3           H4*        U   3   0.387   5.077 -11.333
   26    H3*    U   3           H3*        U   3  -0.179   4.494  -8.465
   27    H2*    U   3           H2*        U   3   1.989   3.517  -8.139
   28   2HO*    U   3          2HO*        U   3   2.483   3.878 -10.925
   29    H1*    U   3           H1*        U   3   3.450   5.455  -9.463
   30    H3     U   3           H3         U   3   4.300   6.794  -5.285
   31    H5     U   3           H5         U   3   0.219   7.665  -5.761
   32    H6     U   3           H6         U   3   0.312   6.562  -7.900
   33   1H5*    C   4          1H5*        C   4   2.226   1.622  -9.722
   34   2H5*    C   4          2H5*        C   4   1.411   0.049  -9.607
   35    H4*    C   4           H4*        C   4   3.579  -0.127  -8.630
   36    H3*    C   4           H3*        C   4   1.282  -0.296  -6.723
   37    H2*    C   4           H2*        C   4   2.796  -0.468  -4.859
   38   2HO*    C   4          2HO*        C   4   5.129  -0.363  -5.354
   39    H1*    C   4           H1*        C   4   4.390   1.653  -5.609
   40   1H4     C   4          1H4         C   4  -0.227   4.573  -2.397
   41   2H4     C   4          2H4         C   4  -1.308   4.445  -3.766
   42    H5     C   4           H5         C   4  -0.723   3.265  -5.799
   43    H6     C   4           H6         C   4   1.010   1.969  -6.924
   44    H1*  OMG   5           H1*      OMG   5   6.888  -1.532  -2.802
   45    H2*  OMG   5           H2*      OMG   5   6.486  -3.856  -1.348
   46    H3*  OMG   5           H3*      OMG   5   4.962  -4.886  -2.899
   47    H4*  OMG   5           H4*      OMG   5   6.737  -4.164  -5.195
   48   1HM2  OMG   5          1HM2      OMG   5   8.960  -2.002  -1.928
   49   2HM2  OMG   5          2HM2      OMG   5   9.921  -3.470  -1.764
   50   3HM2  OMG   5          3HM2      OMG   5   8.517  -3.215  -0.729
   51   1H5*  OMG   5          1H5*      OMG   5   4.939  -4.774  -6.320
   52   2H5*  OMG   5          2H5*      OMG   5   3.943  -4.784  -4.852
   53    H8   OMG   5           H8       OMG   5   3.401  -2.192  -3.640
   54    HN1  OMG   5           HN1      OMG   5   4.075  -0.259   2.439
   55   1HN2  OMG   5          1HN2      OMG   5   6.176  -0.372   3.049
   56   2HN2  OMG   5          2HN2      OMG   5   7.435  -0.922   1.967
   57    H1*  OMG   6           H1*      OMG   6   6.150  -3.589   2.845
   58    H2*  OMG   6           H2*      OMG   6   4.801  -6.032   3.249
   59    H3*  OMG   6           H3*      OMG   6   5.484  -7.016   1.166
   60    H4*  OMG   6           H4*      OMG   6   8.233  -5.871   1.591
   61   1HM2  OMG   6          1HM2      OMG   6   6.475  -3.919   4.996
   62   2HM2  OMG   6          2HM2      OMG   6   5.227  -5.133   5.264
   63   3HM2  OMG   6          3HM2      OMG   6   6.818  -5.325   6.000
   64   1H5*  OMG   6          1H5*      OMG   6   8.020  -5.359  -0.891
   65   2H5*  OMG   6          2H5*      OMG   6   8.177  -7.058  -0.404
   66    H8   OMG   6           H8       OMG   6   4.556  -4.663  -0.367
   67    HN1  OMG   6           HN1      OMG   6   0.532  -1.803   3.728
   68   1HN2  OMG   6          1HN2      OMG   6   1.461  -1.600   5.695
   69   2HN2  OMG   6          2HN2      OMG   6   3.081  -2.168   6.027
   70   1H5*    C   7          1H5*        C   7   6.419  -8.159   5.142
   71   2H5*    C   7          2H5*        C   7   5.954  -9.861   5.334
   72    H4*    C   7           H4*        C   7   4.895  -8.582   7.042
   73    H3*    C   7           H3*        C   7   3.024  -9.622   4.935
   74    H2*    C   7           H2*        C   7   1.187  -8.566   6.064
   75   2HO*    C   7          2HO*        C   7   3.049  -8.541   8.181
   76    H1*    C   7           H1*        C   7   2.569  -6.184   6.688
   77   1H4     C   7          1H4         C   7  -0.512  -4.545   1.421
   78   2H4     C   7          2H4         C   7   0.576  -5.502   0.440
   79    H5     C   7           H5         C   7   2.303  -6.914   1.383
   80    H6     C   7           H6         C   7   3.348  -7.674   3.453
   81   1H5*    C   8          1H5*        C   8   1.157 -10.372   8.555
   82   2H5*    C   8          2H5*        C   8   0.942 -12.126   8.711
   83    H4*    C   8           H4*        C   8  -1.109 -11.263   9.333
   84    H3*    C   8           H3*        C   8  -1.189 -12.256   6.515
   85    H2*    C   8           H2*        C   8  -3.415 -11.426   6.225
   86   2HO*    C   8          2HO*        C   8  -3.660 -10.489   8.845
   87    H1*    C   8           H1*        C   8  -3.059  -9.003   7.588
   88   1H4     C   8          1H4         C   8  -1.993  -7.086   1.680
   89   2H4     C   8          2H4         C   8  -0.612  -8.148   1.509
   90    H5     C   8           H5         C   8   0.090  -9.680   3.254
   91    H6     C   8           H6         C   8  -0.424 -10.532   5.482
   92    HN1  PSU   9           HN1      PSU   9  -3.187  -9.764   2.095
   93    HN3  PSU   9           HN3      PSU   9  -6.575  -7.498   1.994
   94    H6   PSU   9           H6       PSU   9  -3.812 -10.696   4.209
   95    H1*  PSU   9           H1*      PSU   9  -6.020  -9.482   6.378
   96    H2*  PSU   9           H2*      PSU   9  -8.035 -10.465   4.674
   97   *HO2  PSU   9          *HO2      PSU   9  -8.931 -10.214   6.585
   98    H3*  PSU   9           H3*      PSU   9  -6.884 -12.543   4.239
   99    H4*  PSU   9           H4*      PSU   9  -6.273 -12.647   7.190
  100   1H5*  PSU   9          1H5*      PSU   9  -5.391 -14.575   6.359
  101   2H5*  PSU   9          2H5*      PSU   9  -5.054 -13.869   4.767
  102   1H5*    U  10          1H5*        U  10 -10.045 -16.882   3.703
  103   2H5*    U  10          2H5*        U  10  -8.434 -16.275   3.274
  104    H4*    U  10           H4*        U  10 -10.260 -15.799   1.629
  105    H3*    U  10           H3*        U  10  -8.093 -14.282   2.041
  106    H2*    U  10           H2*        U  10  -9.007 -12.831   3.741
  107   2HO*    U  10          2HO*        U  10  -9.926 -10.958   2.494
  108    H1*    U  10           H1*        U  10 -11.626 -12.685   2.148
  109    H3     U  10           H3         U  10 -13.949 -10.584   5.286
  110    H5     U  10           H5         U  10 -11.012 -12.568   7.538
  111    H6     U  10           H6         U  10 -10.149 -13.468   5.480
  112   1H5*    U  11          1H5*        U  11  -6.679 -11.080  -0.818
  113   2H5*    U  11          2H5*        U  11  -8.269 -11.342  -0.073
  114    H4*    U  11           H4*        U  11  -7.626 -12.350  -2.824
  115    H3*    U  11           H3*        U  11  -7.417  -9.703  -2.529
  116    H2*    U  11           H2*        U  11  -9.521  -9.292  -1.430
  117   2HO*    U  11          2HO*        U  11  -9.490  -8.852  -4.104
  118    H1*    U  11           H1*        U  11 -10.898 -11.262  -3.329
  119    H3     U  11           H3         U  11 -14.726 -11.395  -1.092
  120    H5     U  11           H5         U  11 -11.977 -10.343   1.904
  121    H6     U  11           H6         U  11 -10.243 -10.451   0.248
  122   1H5*    U  12          1H5*        U  12  -9.762  -7.123  -5.710
  123   2H5*    U  12          2H5*        U  12  -8.088  -6.641  -6.048
  124    H4*    U  12           H4*        U  12  -8.693  -4.760  -5.017
  125    H3*    U  12           H3*        U  12  -7.212  -6.139  -3.269
  126    H2*    U  12           H2*        U  12  -8.988  -7.277  -2.110
  127   2HO*    U  12          2HO*        U  12  -7.903  -5.279  -0.833
  128    H1*    U  12           H1*        U  12 -10.658  -4.709  -2.153
  129    H3     U  12           H3         U  12 -13.292  -7.546   0.325
  130    H5     U  12           H5         U  12 -13.605  -8.796  -3.673
  131    H6     U  12           H6         U  12 -11.783  -7.313  -4.198
  132    H1*  OMG  13           H1*      OMG  13  -9.499  -4.082   3.106
  133    H2*  OMG  13           H2*      OMG  13  -8.274  -1.615   2.920
  134    H3*  OMG  13           H3*      OMG  13  -8.706  -1.309   0.566
  135    H4*  OMG  13           H4*      OMG  13 -11.574  -2.066   0.984
  136   1HM2  OMG  13          1HM2      OMG  13 -10.778  -3.299   4.717
  137   2HM2  OMG  13          2HM2      OMG  13 -10.601  -1.746   5.529
  138   3HM2  OMG  13          3HM2      OMG  13  -9.174  -2.619   4.975
  139   1H5*  OMG  13          1H5*      OMG  13 -11.548  -3.001  -1.143
  140   2H5*  OMG  13          2H5*      OMG  13 -10.551  -1.541  -1.283
  141    H8   OMG  13           H8       OMG  13  -7.890  -3.196  -0.275
  142    HN1  OMG  13           HN1      OMG  13  -4.262  -6.583   3.785
  143   1HN2  OMG  13          1HN2      OMG  13  -5.254  -6.780   5.718
  144   2HN2  OMG  13          2HN2      OMG  13  -6.827  -6.085   6.035
  145   1H5*    G  14          1H5*        G  14  -9.903   0.374   4.051
  146   2H5*    G  14          2H5*        G  14  -9.291   2.028   4.248
  147    H4*    G  14           H4*        G  14  -8.617   0.606   6.096
  148    H3*    G  14           H3*        G  14  -6.387   1.627   4.343
  149    H2*    G  14           H2*        G  14  -4.835   0.530   5.814
  150   2HO*    G  14          2HO*        G  14  -7.114   0.227   7.512
  151    H1*    G  14           H1*        G  14  -6.424  -1.793   6.162
  152    H8     G  14           H8         G  14  -6.338  -0.680   2.568
  153    H1     G  14           H1         G  14  -1.312  -4.246   4.353
  154   1H2     G  14          1H2         G  14  -1.285  -4.492   6.528
  155   2H2     G  14          2H2         G  14  -2.506  -3.790   7.565
  156   1H5*    C  15          1H5*        C  15  -5.181   1.652   8.087
  157   2H5*    C  15          2H5*        C  15  -5.129   3.335   8.647
  158    H4*    C  15           H4*        C  15  -3.243   2.559   9.616
  159    H3*    C  15           H3*        C  15  -2.410   3.611   6.935
  160    H2*    C  15           H2*        C  15  -0.174   2.800   7.302
  161   2HO*    C  15          2HO*        C  15   0.432   1.971   9.341
  162    H1*    C  15           H1*        C  15  -0.903   0.306   8.274
  163   1H4     C  15          1H4         C  15  -0.490  -0.871   2.069
  164   2H4     C  15          2H4         C  15  -1.908   0.093   1.741
  165    H5     C  15           H5         C  15  -3.091   1.328   3.455
  166    H6     C  15           H6         C  15  -3.143   1.896   5.826
  167   1H5*    U  16          1H5*        U  16   1.440   4.756   9.406
  168   2H5*    U  16          2H5*        U  16   2.160   5.450   7.941
  169    H4*    U  16           H4*        U  16   2.331   2.789   8.965
  170    H3*    U  16           H3*        U  16   3.665   4.294   6.736
  171    H2*    U  16           H2*        U  16   4.344   2.229   5.740
  172   2HO*    U  16          2HO*        U  16   3.546   0.324   7.337
  173    H1*    U  16           H1*        U  16   1.981   0.787   6.376
  174    H3     U  16           H3         U  16   2.931   1.495   1.816
  175    H5     U  16           H5         U  16  -0.185   4.043   3.032
  176    H6     U  16           H6         U  16   0.356   3.487   5.307
  177   1H5*    A  17          1H5*        A  17   6.126   5.734   5.458
  178   2H5*    A  17          2H5*        A  17   5.459   4.090   5.476
  179    H4*    A  17           H4*        A  17   8.325   4.046   5.756
  180    H3*    A  17           H3*        A  17   7.312   5.786   3.550
  181    H2*    A  17           H2*        A  17   8.734   4.675   1.954
  182   2HO*    A  17          2HO*        A  17   9.881   2.731   3.303
  183    H1*    A  17           H1*        A  17   8.112   2.096   2.731
  184    H8     A  17           H8         A  17   4.864   3.462   3.460
  185   1H6     A  17          1H6         A  17   3.654   3.782  -2.605
  186   2H6     A  17          2H6         A  17   2.965   3.852  -0.998
  187    H2     A  17           H2         A  17   8.057   3.103  -2.099
  188   1H5*    A  18          1H5*        A  18  11.004   4.981   2.553
  189   2H5*    A  18          2H5*        A  18  11.962   6.474   2.503
  190    H4*    A  18           H4*        A  18  12.325   5.209   0.499
  191    H3*    A  18           H3*        A  18  10.863   7.806   0.155
  192    H2*    A  18           H2*        A  18  10.696   7.382  -2.213
  193   2HO*    A  18          2HO*        A  18  12.364   5.121  -1.676
  194    H1*    A  18           H1*        A  18   9.892   4.728  -1.960
  195    H8     A  18           H8         A  18   8.541   6.943   0.828
  196   1H6     A  18          1H6         A  18   3.621   7.820  -2.829
  197   2H6     A  18          2H6         A  18   4.297   8.107  -1.241
  198    H2     A  18           H2         A  18   6.706   5.557  -5.165
  199    H1*  OMG  19           H1*      OMG  19  10.247   9.174  -5.494
  200    H2*  OMG  19           H2*      OMG  19  10.359  11.912  -4.860
  201    H3*  OMG  19           H3*      OMG  19  11.940  11.671  -3.063
  202    H4*  OMG  19           H4*      OMG  19  13.492   9.725  -4.749
  203   1HM2  OMG  19          1HM2      OMG  19  10.843  11.360  -8.238
  204   2HM2  OMG  19          2HM2      OMG  19  10.626   9.739  -7.583
  205   3HM2  OMG  19          3HM2      OMG  19   9.629  11.068  -6.995
  206   1H5*  OMG  19          1H5*      OMG  19  13.913   8.524  -2.692
  207   2H5*  OMG  19          2H5*      OMG  19  14.373  10.231  -2.535
  208    H8   OMG  19           H8       OMG  19  10.398   9.510  -1.777
  209    HN1  OMG  19           HN1      OMG  19   4.550  10.475  -4.228
  210   1HN2  OMG  19          1HN2      OMG  19   4.655  10.676  -6.405
  211   2HN2  OMG  19          2HN2      OMG  19   6.165  10.571  -7.280
  212   1H5*    A  20          1H5*        A  20  11.448  13.120  -6.956
  213   2H5*    A  20          2H5*        A  20  11.813  14.853  -6.832
  214    H4*    A  20           H4*        A  20   9.564  14.387  -7.720
  215    H3*    A  20           H3*        A  20   9.839  15.987  -5.194
  216    H2*    A  20           H2*        A  20   7.479  16.077  -4.963
  217   2HO*    A  20          2HO*        A  20   7.209  15.142  -7.640
  218    H1*    A  20           H1*        A  20   6.949  13.541  -6.250
  219    H8     A  20           H8         A  20   9.322  13.456  -3.302
  220   1H6     A  20          1H6         A  20   4.321  12.462   0.209
  221   2H6     A  20          2H6         A  20   6.070  12.513   0.184
  222    H2     A  20           H2         A  20   2.932  13.442  -3.937
  223    H3T    A  20           H3T        A  20   9.493  17.597  -6.535
  Start of MODEL   18
    1    HN1  PSU   1           HN1      PSU   1   1.384  11.803   0.937
    2    HN3  PSU   1           HN3      PSU   1   3.390  13.486  -2.191
    3    H6   PSU   1           H6       PSU   1  -0.698  12.691   0.144
    4    H1*  PSU   1           H1*      PSU   1  -1.063  15.270  -2.012
    5    H2*  PSU   1           H2*      PSU   1  -0.584  13.438  -4.027
    6   *HO2  PSU   1          *HO2      PSU   1  -2.260  14.480  -5.015
    7    H3*  PSU   1           H3*      PSU   1  -1.624  11.552  -2.952
    8    H4*  PSU   1           H4*      PSU   1  -3.984  13.200  -2.164
    9   1H5*  PSU   1          1H5*      PSU   1  -3.723  12.081   0.029
   10   2H5*  PSU   1          2H5*      PSU   1  -3.970  10.978  -1.338
   11    H5T  PSU   1           H5T      PSU   1  -2.252  10.068  -0.511
   12   1H5*    C   2          1H5*        C   2  -2.261  13.311  -6.756
   13   2H5*    C   2          2H5*        C   2  -2.897  11.944  -7.692
   14    H4*    C   2           H4*        C   2  -1.279  12.818  -9.076
   15    H3*    C   2           H3*        C   2  -0.247  10.427  -7.625
   16    H2*    C   2           H2*        C   2   1.980  10.774  -8.453
   17   2HO*    C   2          2HO*        C   2   1.132  13.016  -9.959
   18    H1*    C   2           H1*        C   2   2.090  13.506  -8.012
   19   1H4     C   2          1H4         C   2   4.174  11.208  -2.488
   20   2H4     C   2          2H4         C   2   2.532  10.913  -1.964
   21    H5     C   2           H5         C   2   0.612  11.245  -3.397
   22    H6     C   2           H6         C   2  -0.120  11.890  -5.631
   23   1H5*    U   3          1H5*        U   3   1.570   9.516 -11.113
   24   2H5*    U   3          2H5*        U   3   0.529   8.289 -11.863
   25    H4*    U   3           H4*        U   3   2.542   7.309 -12.167
   26    H3*    U   3           H3*        U   3   1.477   6.305  -9.563
   27    H2*    U   3           H2*        U   3   3.552   5.198  -9.069
   28   2HO*    U   3          2HO*        U   3   4.413   4.363 -10.851
   29    H1*    U   3           H1*        U   3   5.220   7.284  -9.793
   30    H3     U   3           H3         U   3   5.405   7.821  -5.359
   31    H5     U   3           H5         U   3   1.456   8.906  -6.295
   32    H6     U   3           H6         U   3   1.885   8.216  -8.560
   33   1H5*    C   4          1H5*        C   4   3.519   2.621 -11.024
   34   2H5*    C   4          2H5*        C   4   2.301   1.417 -10.560
   35    H4*    C   4           H4*        C   4   4.552   1.092  -9.546
   36    H3*    C   4           H3*        C   4   2.106   1.331  -7.825
   37    H2*    C   4           H2*        C   4   3.483   1.060  -5.863
   38   2HO*    C   4          2HO*        C   4   5.810   0.921  -7.471
   39    H1*    C   4           H1*        C   4   5.386   2.915  -6.649
   40   1H4     C   4          1H4         C   4   1.101   6.487  -3.632
   41   2H4     C   4          2H4         C   4   0.115   6.562  -5.075
   42    H5     C   4           H5         C   4   0.637   5.322  -7.090
   43    H6     C   4           H6         C   4   2.195   3.752  -8.118
   44    H1*  OMG   5           H1*      OMG   5   6.746  -0.547  -2.962
   45    H2*  OMG   5           H2*      OMG   5   6.170  -2.979  -1.804
   46    H3*  OMG   5           H3*      OMG   5   4.773  -3.799  -3.589
   47    H4*  OMG   5           H4*      OMG   5   6.802  -2.996  -5.629
   48   1HM2  OMG   5          1HM2      OMG   5   8.755  -1.093  -2.122
   49   2HM2  OMG   5          2HM2      OMG   5   9.622  -2.600  -1.836
   50   3HM2  OMG   5          3HM2      OMG   5   8.121  -2.269  -0.974
   51   1H5*  OMG   5          1H5*      OMG   5   5.036  -3.554  -6.872
   52   2H5*  OMG   5          2H5*      OMG   5   3.889  -3.297  -5.542
   53    H8   OMG   5           H8       OMG   5   3.470  -0.790  -4.390
   54    HN1  OMG   5           HN1      OMG   5   3.118  -0.160   1.983
   55   1HN2  OMG   5          1HN2      OMG   5   5.070  -0.548   2.900
   56   2HN2  OMG   5          2HN2      OMG   5   6.480  -0.970   1.953
   57    H1*  OMG   6           H1*      OMG   6   5.822  -3.014   2.189
   58    H2*  OMG   6           H2*      OMG   6   4.529  -5.475   2.571
   59    H3*  OMG   6           H3*      OMG   6   5.131  -6.376   0.420
   60    H4*  OMG   6           H4*      OMG   6   7.904  -5.280   0.831
   61   1HM2  OMG   6          1HM2      OMG   6   5.038  -4.534   4.555
   62   2HM2  OMG   6          2HM2      OMG   6   6.626  -4.834   5.259
   63   3HM2  OMG   6          3HM2      OMG   6   6.351  -3.388   4.291
   64   1H5*  OMG   6          1H5*      OMG   6   7.644  -4.668  -1.629
   65   2H5*  OMG   6          2H5*      OMG   6   7.816  -6.383  -1.207
   66    H8   OMG   6           H8       OMG   6   4.298  -3.835  -1.083
   67    HN1  OMG   6           HN1      OMG   6   0.045  -1.717   3.227
   68   1HN2  OMG   6          1HN2      OMG   6   0.930  -1.693   5.226
   69   2HN2  OMG   6          2HN2      OMG   6   2.576  -2.200   5.525
   70   1H5*    C   7          1H5*        C   7   6.280  -8.275   4.203
   71   2H5*    C   7          2H5*        C   7   5.552  -9.893   4.193
   72    H4*    C   7           H4*        C   7   4.836  -8.570   6.114
   73    H3*    C   7           H3*        C   7   2.724  -9.425   4.155
   74    H2*    C   7           H2*        C   7   1.069  -8.308   5.502
   75   2HO*    C   7          2HO*        C   7   3.165  -7.848   7.393
   76    H1*    C   7           H1*        C   7   2.590  -6.003   5.954
   77   1H4     C   7          1H4         C   7  -0.965  -4.630   0.879
   78   2H4     C   7          2H4         C   7   0.219  -5.381  -0.166
   79    H5     C   7           H5         C   7   2.154  -6.570   0.679
   80    H6     C   7           H6         C   7   3.324  -7.297   2.692
   81   1H5*    C   8          1H5*        C   8   1.683 -10.776   8.153
   82   2H5*    C   8          2H5*        C   8   1.062 -12.439   8.107
   83    H4*    C   8           H4*        C   8  -0.350 -10.919   9.415
   84    H3*    C   8           H3*        C   8  -1.478 -12.391   7.078
   85    H2*    C   8           H2*        C   8  -3.573 -11.229   7.262
   86   2HO*    C   8          2HO*        C   8  -3.630  -9.599   9.112
   87    H1*    C   8           H1*        C   8  -2.529  -8.698   7.601
   88   1H4     C   8          1H4         C   8  -3.018  -9.404   1.294
   89   2H4     C   8          2H4         C   8  -1.339  -9.892   1.241
   90    H5     C   8           H5         C   8  -0.014 -10.269   3.232
   91    H6     C   8           H6         C   8  -0.018 -10.209   5.670
   92    HN1  PSU   9           HN1      PSU   9  -2.878 -12.461   3.753
   93    HN3  PSU   9           HN3      PSU   9  -5.669 -10.749   1.317
   94    H6   PSU   9           H6       PSU   9  -4.387 -12.387   5.613
   95    H1*  PSU   9           H1*      PSU   9  -7.628 -10.663   5.453
   96    H2*  PSU   9           H2*      PSU   9  -7.548 -13.452   5.021
   97   *HO2  PSU   9          *HO2      PSU   9  -9.188 -13.274   6.888
   98    H3*  PSU   9           H3*      PSU   9  -5.843 -13.833   6.689
   99    H4*  PSU   9           H4*      PSU   9  -7.349 -11.919   8.465
  100   1H5*  PSU   9          1H5*      PSU   9  -4.953 -11.204   9.048
  101   2H5*  PSU   9          2H5*      PSU   9  -5.564 -12.747   9.674
  102   1H5*    U  10          1H5*        U  10  -9.516 -16.576   4.927
  103   2H5*    U  10          2H5*        U  10  -8.882 -15.172   4.046
  104    H4*    U  10           H4*        U  10 -11.361 -15.859   3.773
  105    H3*    U  10           H3*        U  10 -10.216 -13.562   3.097
  106    H2*    U  10           H2*        U  10 -10.275 -12.502   5.275
  107   2HO*    U  10          2HO*        U  10 -12.512 -11.892   3.685
  108    H1*    U  10           H1*        U  10 -13.160 -13.473   5.640
  109    H3     U  10           H3         U  10 -12.730 -11.034   9.464
  110    H5     U  10           H5         U  10 -10.100 -14.278   9.906
  111    H6     U  10           H6         U  10 -10.509 -14.824   7.598
  112   1H5*    U  11          1H5*        U  11 -11.786 -11.656   1.403
  113   2H5*    U  11          2H5*        U  11 -13.341 -12.096   0.672
  114    H4*    U  11           H4*        U  11 -12.667 -10.487  -0.776
  115    H3*    U  11           H3*        U  11 -12.725 -12.804  -2.023
  116    H2*    U  11           H2*        U  11 -10.500 -13.584  -1.529
  117   2HO*    U  11          2HO*        U  11 -10.315 -11.953  -3.869
  118    H1*    U  11           H1*        U  11  -9.276 -10.862  -2.135
  119    H3     U  11           H3         U  11  -5.407 -12.483  -0.621
  120    H5     U  11           H5         U  11  -8.139 -13.604   2.368
  121    H6     U  11           H6         U  11  -9.892 -12.695   0.999
  122   1H5*    U  12          1H5*        U  12 -14.126  -7.265  -3.531
  123   2H5*    U  12          2H5*        U  12 -13.050  -8.178  -4.607
  124    H4*    U  12           H4*        U  12 -12.058  -6.065  -4.001
  125    H3*    U  12           H3*        U  12 -10.594  -8.240  -4.089
  126    H2*    U  12           H2*        U  12 -10.889  -9.143  -1.914
  127   2HO*    U  12          2HO*        U  12  -8.614  -8.167  -2.194
  128    H1*    U  12           H1*        U  12 -10.804  -6.520  -0.444
  129    H3     U  12           H3         U  12 -15.409  -8.629   0.361
  130    H5     U  12           H5         U  12 -12.091  -9.855   2.624
  131    H6     U  12           H6         U  12 -10.691  -8.635   1.094
  132    H1*  OMG  13           H1*      OMG  13 -10.168  -5.885   2.744
  133    H2*  OMG  13           H2*      OMG  13  -8.723  -3.542   2.538
  134    H3*  OMG  13           H3*      OMG  13  -9.231  -3.130   0.216
  135    H4*  OMG  13           H4*      OMG  13 -12.133  -3.663   0.719
  136   1HM2  OMG  13          1HM2      OMG  13  -9.580  -4.461   4.620
  137   2HM2  OMG  13          2HM2      OMG  13 -11.242  -5.022   4.455
  138   3HM2  OMG  13          3HM2      OMG  13 -10.904  -3.491   5.257
  139   1H5*  OMG  13          1H5*      OMG  13 -12.255  -4.563  -1.415
  140   2H5*  OMG  13          2H5*      OMG  13 -11.121  -3.206  -1.576
  141    H8   OMG  13           H8       OMG  13  -8.867  -5.573  -0.790
  142    HN1  OMG  13           HN1      OMG  13  -4.705  -8.038   3.415
  143   1HN2  OMG  13          1HN2      OMG  13  -5.440  -7.797   5.455
  144   2HN2  OMG  13          2HN2      OMG  13  -6.975  -7.034   5.807
  145   1H5*    G  14          1H5*        G  14 -10.500  -1.067   3.521
  146   2H5*    G  14          2H5*        G  14  -9.915   0.601   3.680
  147    H4*    G  14           H4*        G  14  -9.480  -0.708   5.683
  148    H3*    G  14           H3*        G  14  -7.122   0.358   4.165
  149    H2*    G  14           H2*        G  14  -5.637  -0.689   5.744
  150   2HO*    G  14          2HO*        G  14  -7.758  -0.392   7.359
  151    H1*    G  14           H1*        G  14  -6.996  -3.125   5.849
  152    H8     G  14           H8         G  14  -7.246  -1.927   2.331
  153    H1     G  14           H1         G  14  -1.589  -4.606   3.729
  154   1H2     G  14          1H2         G  14  -1.388  -4.882   5.894
  155   2H2     G  14          2H2         G  14  -2.643  -4.411   7.017
  156   1H5*    C  15          1H5*        C  15  -6.039   0.429   7.848
  157   2H5*    C  15          2H5*        C  15  -6.223   2.084   8.463
  158    H4*    C  15           H4*        C  15  -4.296   1.514   9.496
  159    H3*    C  15           H3*        C  15  -3.524   2.784   6.901
  160    H2*    C  15           H2*        C  15  -1.210   2.228   7.270
  161   2HO*    C  15          2HO*        C  15  -0.874   2.515   9.419
  162    H1*    C  15           H1*        C  15  -1.633  -0.393   8.009
  163   1H4     C  15          1H4         C  15  -1.308  -0.926   1.708
  164   2H4     C  15          2H4         C  15  -2.889  -0.206   1.520
  165    H5     C  15           H5         C  15  -4.175   0.656   3.384
  166    H6     C  15           H6         C  15  -4.198   1.004   5.798
  167   1H5*    U  16          1H5*        U  16   0.967   4.927   8.521
  168   2H5*    U  16          2H5*        U  16   0.044   4.610   7.040
  169    H4*    U  16           H4*        U  16   1.351   2.487   8.734
  170    H3*    U  16           H3*        U  16   2.476   3.996   6.400
  171    H2*    U  16           H2*        U  16   3.376   1.961   5.505
  172   2HO*    U  16          2HO*        U  16   2.654   0.847   8.040
  173    H1*    U  16           H1*        U  16   1.134   0.363   6.069
  174    H3     U  16           H3         U  16   2.118   1.748   1.587
  175    H5     U  16           H5         U  16  -1.572   3.263   2.911
  176    H6     U  16           H6         U  16  -0.945   2.622   5.142
  177   1H5*    A  17          1H5*        A  17   6.085   4.710   6.133
  178   2H5*    A  17          2H5*        A  17   4.903   4.429   4.840
  179    H4*    A  17           H4*        A  17   7.612   3.157   5.172
  180    H3*    A  17           H3*        A  17   6.603   5.291   3.357
  181    H2*    A  17           H2*        A  17   7.675   4.304   1.445
  182   2HO*    A  17          2HO*        A  17   9.615   3.666   2.504
  183    H1*    A  17           H1*        A  17   6.869   1.710   1.907
  184    H8     A  17           H8         A  17   3.910   3.237   3.281
  185   1H6     A  17          1H6         A  17   2.045   4.715  -2.437
  186   2H6     A  17          2H6         A  17   1.560   4.571  -0.762
  187    H2     A  17           H2         A  17   6.367   3.539  -2.644
  188   1H5*    A  18          1H5*        A  18  11.429   5.368   2.917
  189   2H5*    A  18          2H5*        A  18  11.559   7.131   2.770
  190    H4*    A  18           H4*        A  18  12.737   5.723   1.023
  191    H3*    A  18           H3*        A  18  10.967   8.049   0.377
  192    H2*    A  18           H2*        A  18  11.235   7.620  -1.982
  193   2HO*    A  18          2HO*        A  18  12.617   5.514  -2.311
  194    H1*    A  18           H1*        A  18  10.762   4.899  -1.835
  195    H8     A  18           H8         A  18   8.640   6.255   0.884
  196   1H6     A  18          1H6         A  18   4.416   7.669  -3.414
  197   2H6     A  18          2H6         A  18   4.724   7.516  -1.700
  198    H2     A  18           H2         A  18   8.239   6.617  -5.513
  199    H1*  OMG  19           H1*      OMG  19  11.105   9.678  -5.214
  200    H2*  OMG  19           H2*      OMG  19  11.089  12.403  -4.662
  201    H3*  OMG  19           H3*      OMG  19  12.335  12.235  -2.604
  202    H4*  OMG  19           H4*      OMG  19  14.296  10.411  -3.959
  203   1HM2  OMG  19          1HM2      OMG  19  10.769  11.505  -6.866
  204   2HM2  OMG  19          2HM2      OMG  19  12.175  11.770  -7.895
  205   3HM2  OMG  19          3HM2      OMG  19  11.871  10.175  -7.212
  206   1H5*  OMG  19          1H5*      OMG  19  14.369   9.198  -1.872
  207   2H5*  OMG  19          2H5*      OMG  19  14.656  10.929  -1.605
  208    H8   OMG  19           H8       OMG  19  10.922   9.735  -1.539
  209    HN1  OMG  19           HN1      OMG  19   5.360  11.315  -4.318
  210   1HN2  OMG  19          1HN2      OMG  19   5.659  11.729  -6.447
  211   2HN2  OMG  19          2HN2      OMG  19   7.230  11.619  -7.209
  212   1H5*    A  20          1H5*        A  20  13.362  15.197  -5.846
  213   2H5*    A  20          2H5*        A  20  13.523  16.641  -4.829
  214    H4*    A  20           H4*        A  20  11.839  16.921  -6.569
  215    H3*    A  20           H3*        A  20  10.947  17.054  -3.708
  216    H2*    A  20           H2*        A  20   8.682  17.436  -4.453
  217   2HO*    A  20          2HO*        A  20   8.252  17.661  -6.703
  218    H1*    A  20           H1*        A  20   8.674  15.367  -6.290
  219    H8     A  20           H8         A  20  10.926  14.265  -3.507
  220   1H6     A  20          1H6         A  20   5.822  12.420  -0.524
  221   2H6     A  20          2H6         A  20   7.571  12.379  -0.534
  222    H2     A  20           H2         A  20   4.557  14.824  -4.089
  223    H3T    A  20           H3T        A  20  12.194  18.642  -5.167
  Start of MODEL   19
    1    HN1  PSU   1           HN1      PSU   1   1.301  11.579   2.088
    2    HN3  PSU   1           HN3      PSU   1   3.520  12.880  -1.080
    3    H6   PSU   1           H6       PSU   1  -0.733  12.181   0.973
    4    H1*  PSU   1           H1*      PSU   1  -0.800  14.153  -2.078
    5    H2*  PSU   1           H2*      PSU   1  -0.833  11.401  -2.567
    6   *HO2  PSU   1          *HO2      PSU   1  -1.568  12.981  -4.030
    7    H3*  PSU   1           H3*      PSU   1  -2.138  10.815  -0.638
    8    H4*  PSU   1           H4*      PSU   1  -3.961  13.138  -1.164
    9   1H5*  PSU   1          1H5*      PSU   1  -3.895  13.444   1.283
   10   2H5*  PSU   1          2H5*      PSU   1  -4.491  11.854   0.774
   11    H5T  PSU   1           H5T      PSU   1  -3.017  11.534   2.403
   12   1H5*    C   2          1H5*        C   2  -3.612  11.375  -5.058
   13   2H5*    C   2          2H5*        C   2  -4.049   9.697  -5.434
   14    H4*    C   2           H4*        C   2  -2.867  10.734  -7.276
   15    H3*    C   2           H3*        C   2  -1.630   8.373  -5.936
   16    H2*    C   2           H2*        C   2   0.372   8.581  -7.250
   17   2HO*    C   2          2HO*        C   2   0.078  10.695  -8.738
   18    H1*    C   2           H1*        C   2   0.677  11.316  -6.964
   19   1H4     C   2          1H4         C   2   3.730   9.279  -1.812
   20   2H4     C   2          2H4         C   2   2.226   8.831  -1.042
   21    H5     C   2           H5         C   2   0.080   8.999  -2.147
   22    H6     C   2           H6         C   2  -1.054   9.605  -4.217
   23   1H5*    U   3          1H5*        U   3  -0.996   7.364  -9.996
   24   2H5*    U   3          2H5*        U   3  -2.155   6.054 -10.298
   25    H4*    U   3           H4*        U   3  -0.324   5.164 -11.276
   26    H3*    U   3           H3*        U   3  -0.313   4.228  -8.440
   27    H2*    U   3           H2*        U   3   1.862   3.235  -8.725
   28   2HO*    U   3          2HO*        U   3   2.462   3.995 -11.238
   29    H1*    U   3           H1*        U   3   3.025   5.401  -9.971
   30    H3     U   3           H3         U   3   4.591   6.066  -5.816
   31    H5     U   3           H5         U   3   0.515   7.022  -5.499
   32    H6     U   3           H6         U   3   0.233   6.250  -7.759
   33   1H5*    C   4          1H5*        C   4   2.835   1.720 -10.215
   34   2H5*    C   4          2H5*        C   4   2.200   0.063 -10.235
   35    H4*    C   4           H4*        C   4   4.060   0.246  -8.708
   36    H3*    C   4           H3*        C   4   1.384  -0.328  -7.464
   37    H2*    C   4           H2*        C   4   2.441  -0.376  -5.303
   38   2HO*    C   4          2HO*        C   4   4.425  -1.393  -6.473
   39    H1*    C   4           H1*        C   4   4.071   1.871  -5.747
   40   1H4     C   4          1H4         C   4  -0.940   4.367  -2.799
   41   2H4     C   4          2H4         C   4  -1.926   4.188  -4.233
   42    H5     C   4           H5         C   4  -1.130   3.104  -6.249
   43    H6     C   4           H6         C   4   0.766   1.975  -7.290
   44    H1*  OMG   5           H1*      OMG   5   6.828  -1.169  -3.011
   45    H2*  OMG   5           H2*      OMG   5   6.526  -3.407  -1.421
   46    H3*  OMG   5           H3*      OMG   5   5.049  -4.603  -2.898
   47    H4*  OMG   5           H4*      OMG   5   6.787  -3.994  -5.249
   48   1HM2  OMG   5          1HM2      OMG   5   8.916  -1.438  -2.322
   49   2HM2  OMG   5          2HM2      OMG   5   9.929  -2.812  -1.882
   50   3HM2  OMG   5          3HM2      OMG   5   8.496  -2.431  -0.928
   51   1H5*  OMG   5          1H5*      OMG   5   4.935  -4.914  -6.126
   52   2H5*  OMG   5          2H5*      OMG   5   3.901  -4.385  -4.785
   53    H8   OMG   5           H8       OMG   5   3.428  -1.872  -3.959
   54    HN1  OMG   5           HN1      OMG   5   3.763  -0.046   2.181
   55   1HN2  OMG   5          1HN2      OMG   5   5.831  -0.153   2.898
   56   2HN2  OMG   5          2HN2      OMG   5   7.150  -0.674   1.874
   57    H1*  OMG   6           H1*      OMG   6   6.179  -3.047   3.024
   58    H2*  OMG   6           H2*      OMG   6   5.018  -5.569   3.371
   59    H3*  OMG   6           H3*      OMG   6   5.766  -6.468   1.269
   60    H4*  OMG   6           H4*      OMG   6   8.468  -5.244   1.750
   61   1HM2  OMG   6          1HM2      OMG   6   5.388  -4.531   5.349
   62   2HM2  OMG   6          2HM2      OMG   6   6.939  -4.784   6.145
   63   3HM2  OMG   6          3HM2      OMG   6   6.688  -3.360   5.139
   64   1H5*  OMG   6          1H5*      OMG   6   8.213  -4.631  -0.719
   65   2H5*  OMG   6          2H5*      OMG   6   8.469  -6.334  -0.289
   66    H8   OMG   6           H8       OMG   6   4.852  -4.257  -0.275
   67    HN1  OMG   6           HN1      OMG   6   0.422  -1.644   3.559
   68   1HN2  OMG   6          1HN2      OMG   6   1.231  -1.345   5.568
   69   2HN2  OMG   6          2HN2      OMG   6   2.869  -1.787   5.990
   70   1H5*    C   7          1H5*        C   7   6.606  -7.662   5.280
   71   2H5*    C   7          2H5*        C   7   6.213  -9.390   5.372
   72    H4*    C   7           H4*        C   7   5.026  -8.243   7.090
   73    H3*    C   7           H3*        C   7   3.300  -9.279   4.862
   74    H2*    C   7           H2*        C   7   1.364  -8.356   5.948
   75   2HO*    C   7          2HO*        C   7   3.087  -7.693   8.131
   76    H1*    C   7           H1*        C   7   2.562  -5.917   6.651
   77   1H4     C   7          1H4         C   7  -0.210  -4.478   1.155
   78   2H4     C   7          2H4         C   7   1.024  -5.338   0.263
   79    H5     C   7           H5         C   7   2.772  -6.623   1.342
   80    H6     C   7           H6         C   7   3.696  -7.323   3.488
   81   1H5*    C   8          1H5*        C   8   1.717 -10.928   8.601
   82   2H5*    C   8          2H5*        C   8   1.097 -12.566   8.310
   83    H4*    C   8           H4*        C   8  -0.604 -11.193   9.318
   84    H3*    C   8           H3*        C   8  -1.097 -12.144   6.525
   85    H2*    C   8           H2*        C   8  -3.138 -10.893   6.412
   86   2HO*    C   8          2HO*        C   8  -2.806 -10.900   9.206
   87    H1*    C   8           H1*        C   8  -2.185  -8.580   7.637
   88   1H4     C   8          1H4         C   8  -1.271  -7.243   1.528
   89   2H4     C   8          2H4         C   8  -0.082  -8.515   1.366
   90    H5     C   8           H5         C   8   0.531  -9.986   3.191
   91    H6     C   8           H6         C   8   0.071 -10.580   5.512
   92    HN1  PSU   9           HN1      PSU   9  -2.953  -9.644   3.591
   93    HN3  PSU   9           HN3      PSU   9  -5.553 -11.290   0.943
   94    H6   PSU   9           H6       PSU   9  -4.583  -9.717   5.339
   95    H1*  PSU   9           H1*      PSU   9  -7.754  -9.892   5.138
   96    H2*  PSU   9           H2*      PSU   9  -7.775 -12.545   4.260
   97   *HO2  PSU   9          *HO2      PSU   9  -8.986 -11.798   6.718
   98    H3*  PSU   9           H3*      PSU   9  -5.988 -13.240   5.742
   99    H4*  PSU   9           H4*      PSU   9  -7.404 -11.775   7.955
  100   1H5*  PSU   9          1H5*      PSU   9  -5.008 -11.140   8.560
  101   2H5*  PSU   9          2H5*      PSU   9  -5.518 -12.821   8.809
  102   1H5*    U  10          1H5*        U  10  -9.865 -15.692   3.644
  103   2H5*    U  10          2H5*        U  10  -8.983 -14.282   3.027
  104    H4*    U  10           H4*        U  10 -11.558 -14.583   2.630
  105    H3*    U  10           H3*        U  10  -9.968 -12.448   2.216
  106    H2*    U  10           H2*        U  10 -10.136 -11.498   4.434
  107   2HO*    U  10          2HO*        U  10 -11.679 -10.387   2.545
  108    H1*    U  10           H1*        U  10 -13.129 -12.207   4.398
  109    H3     U  10           H3         U  10 -13.519 -10.211   8.396
  110    H5     U  10           H5         U  10 -10.327 -12.886   8.940
  111    H6     U  10           H6         U  10 -10.437 -13.376   6.585
  112   1H5*    U  11          1H5*        U  11 -11.804 -10.607  -0.202
  113   2H5*    U  11          2H5*        U  11 -13.562 -10.456  -0.386
  114    H4*    U  11           H4*        U  11 -13.426 -10.140  -2.562
  115    H3*    U  11           H3*        U  11 -12.639 -12.681  -2.758
  116    H2*    U  11           H2*        U  11 -10.308 -12.390  -2.282
  117   2HO*    U  11          2HO*        U  11  -9.239 -12.165  -4.391
  118    H1*    U  11           H1*        U  11 -10.242  -9.874  -4.024
  119    H3     U  11           H3         U  11  -6.130  -8.768  -2.768
  120    H5     U  11           H5         U  11  -7.639 -10.666   0.661
  121    H6     U  11           H6         U  11  -9.686 -11.041  -0.540
  122   1H5*    U  12          1H5*        U  12 -12.189  -7.930  -6.075
  123   2H5*    U  12          2H5*        U  12 -10.545  -8.381  -5.584
  124    H4*    U  12           H4*        U  12 -11.703  -6.008  -5.067
  125    H3*    U  12           H3*        U  12  -9.255  -7.069  -4.421
  126    H2*    U  12           H2*        U  12  -9.880  -7.962  -2.273
  127   2HO*    U  12          2HO*        U  12  -8.362  -6.330  -1.782
  128    H1*    U  12           H1*        U  12 -11.716  -5.510  -1.942
  129    H3     U  12           H3         U  12 -14.924  -8.219   0.339
  130    H5     U  12           H5         U  12 -11.059  -8.868   1.850
  131    H6     U  12           H6         U  12 -10.196  -7.691  -0.062
  132    H1*  OMG  13           H1*      OMG  13  -8.578  -4.903   1.876
  133    H2*  OMG  13           H2*      OMG  13  -7.495  -2.369   1.854
  134    H3*  OMG  13           H3*      OMG  13  -7.896  -1.913  -0.472
  135    H4*  OMG  13           H4*      OMG  13 -10.705  -2.894  -0.269
  136   1HM2  OMG  13          1HM2      OMG  13  -9.857  -4.277   3.555
  137   2HM2  OMG  13          2HM2      OMG  13  -9.823  -2.738   4.410
  138   3HM2  OMG  13          3HM2      OMG  13  -8.321  -3.462   3.840
  139   1H5*  OMG  13          1H5*      OMG  13 -10.407  -3.822  -2.419
  140   2H5*  OMG  13          2H5*      OMG  13  -9.663  -2.211  -2.432
  141    H8   OMG  13           H8       OMG  13  -6.990  -3.834  -1.450
  142    HN1  OMG  13           HN1      OMG  13  -3.160  -6.987   2.611
  143   1HN2  OMG  13          1HN2      OMG  13  -4.152  -7.279   4.531
  144   2HN2  OMG  13          2HN2      OMG  13  -5.776  -6.705   4.837
  145   1H5*    G  14          1H5*        G  14  -9.789  -0.267   3.112
  146   2H5*    G  14          2H5*        G  14  -9.266   1.421   3.263
  147    H4*    G  14           H4*        G  14  -8.899   0.164   5.317
  148    H3*    G  14           H3*        G  14  -6.463   1.234   3.913
  149    H2*    G  14           H2*        G  14  -5.110   0.320   5.688
  150   2HO*    G  14          2HO*        G  14  -7.142   0.815   7.178
  151    H1*    G  14           H1*        G  14  -6.449  -2.137   5.788
  152    H8     G  14           H8         G  14  -6.084  -0.765   2.268
  153    H1     G  14           H1         G  14  -1.113  -4.250   4.339
  154   1H2     G  14          1H2         G  14  -1.316  -4.676   6.477
  155   2H2     G  14          2H2         G  14  -2.682  -4.115   7.416
  156   1H5*    C  15          1H5*        C  15  -5.678   1.732   7.751
  157   2H5*    C  15          2H5*        C  15  -5.639   3.471   8.104
  158    H4*    C  15           H4*        C  15  -3.763   2.756   9.181
  159    H3*    C  15           H3*        C  15  -2.926   3.679   6.452
  160    H2*    C  15           H2*        C  15  -0.668   2.977   6.912
  161   2HO*    C  15          2HO*        C  15  -1.470   2.189   9.523
  162    H1*    C  15           H1*        C  15  -1.342   0.512   7.999
  163   1H4     C  15          1H4         C  15  -0.750  -0.948   1.869
  164   2H4     C  15          2H4         C  15  -2.210  -0.075   1.471
  165    H5     C  15           H5         C  15  -3.479   1.187   3.100
  166    H6     C  15           H6         C  15  -3.599   1.871   5.438
  167   1H5*    U  16          1H5*        U  16   0.913   5.256   8.801
  168   2H5*    U  16          2H5*        U  16   1.538   5.785   7.227
  169    H4*    U  16           H4*        U  16   1.847   3.270   8.582
  170    H3*    U  16           H3*        U  16   3.148   4.607   6.233
  171    H2*    U  16           H2*        U  16   3.946   2.485   5.452
  172   2HO*    U  16          2HO*        U  16   3.176   1.603   8.055
  173    H1*    U  16           H1*        U  16   1.611   1.031   6.060
  174    H3     U  16           H3         U  16   2.638   1.704   1.510
  175    H5     U  16           H5         U  16  -0.630   4.113   2.610
  176    H6     U  16           H6         U  16  -0.112   3.625   4.906
  177   1H5*    A  17          1H5*        A  17   6.222   5.070   5.907
  178   2H5*    A  17          2H5*        A  17   5.136   4.339   4.711
  179    H4*    A  17           H4*        A  17   8.016   3.569   5.160
  180    H3*    A  17           H3*        A  17   6.841   5.561   3.271
  181    H2*    A  17           H2*        A  17   8.183   4.718   1.461
  182   2HO*    A  17          2HO*        A  17   9.487   2.670   2.406
  183    H1*    A  17           H1*        A  17   7.687   2.037   1.922
  184    H8     A  17           H8         A  17   4.442   3.212   2.973
  185   1H6     A  17          1H6         A  17   2.930   4.216  -2.946
  186   2H6     A  17          2H6         A  17   2.321   4.077  -1.313
  187    H2     A  17           H2         A  17   7.369   3.607  -2.728
  188   1H5*    A  18          1H5*        A  18  11.184   4.628   2.256
  189   2H5*    A  18          2H5*        A  18  11.836   6.272   2.395
  190    H4*    A  18           H4*        A  18  12.563   5.194   0.346
  191    H3*    A  18           H3*        A  18  10.871   7.652   0.125
  192    H2*    A  18           H2*        A  18  10.871   7.459  -2.280
  193   2HO*    A  18          2HO*        A  18  12.393   5.092  -2.203
  194    H1*    A  18           H1*        A  18  10.235   4.773  -2.349
  195    H8     A  18           H8         A  18   8.804   6.666   0.658
  196   1H6     A  18          1H6         A  18   3.704   7.381  -2.774
  197   2H6     A  18          2H6         A  18   4.425   7.631  -1.202
  198    H2     A  18           H2         A  18   6.849   5.451  -5.335
  199    H1*  OMG  19           H1*      OMG  19  10.362   9.519  -5.224
  200    H2*  OMG  19           H2*      OMG  19  10.198  12.172  -4.392
  201    H3*  OMG  19           H3*      OMG  19  11.718  11.931  -2.536
  202    H4*  OMG  19           H4*      OMG  19  13.606  10.412  -4.308
  203   1HM2  OMG  19          1HM2      OMG  19  10.886  11.942  -7.783
  204   2HM2  OMG  19          2HM2      OMG  19  10.809  10.268  -7.240
  205   3HM2  OMG  19          3HM2      OMG  19   9.657  11.449  -6.620
  206   1H5*  OMG  19          1H5*      OMG  19  14.042   9.024  -2.370
  207   2H5*  OMG  19          2H5*      OMG  19  14.268  10.743  -1.995
  208    H8   OMG  19           H8       OMG  19  10.642   9.500  -1.499
  209    HN1  OMG  19           HN1      OMG  19   4.622  10.072  -3.636
  210   1HN2  OMG  19          1HN2      OMG  19   4.609  10.494  -5.784
  211   2HN2  OMG  19          2HN2      OMG  19   6.080  10.637  -6.718
  212   1H5*    A  20          1H5*        A  20  12.479  15.036  -5.977
  213   2H5*    A  20          2H5*        A  20  12.424  16.507  -4.987
  214    H4*    A  20           H4*        A  20  10.867  16.515  -6.912
  215    H3*    A  20           H3*        A  20   9.809  16.873  -4.127
  216    H2*    A  20           H2*        A  20   7.579  17.071  -5.034
  217   2HO*    A  20          2HO*        A  20   7.224  17.231  -7.216
  218    H1*    A  20           H1*        A  20   7.755  14.783  -6.554
  219    H8     A  20           H8         A  20  10.044  14.266  -3.625
  220   1H6     A  20          1H6         A  20   5.088  12.384  -0.433
  221   2H6     A  20          2H6         A  20   6.831  12.526  -0.430
  222    H2     A  20           H2         A  20   3.664  14.073  -4.336
  223    H3T    A  20           H3T        A  20   9.400  18.827  -5.876
  Start of MODEL   20
    1    HN1  PSU   1           HN1      PSU   1  -1.039  11.452   0.834
    2    HN3  PSU   1           HN3      PSU   1   1.386  12.557  -2.254
    3    H6   PSU   1           H6       PSU   1  -2.991  11.749  -0.527
    4    H1*  PSU   1           H1*      PSU   1  -3.112  13.574  -3.435
    5    H2*  PSU   1           H2*      PSU   1  -2.175  11.219  -4.559
    6   *HO2  PSU   1          *HO2      PSU   1  -3.346  12.100  -6.096
    7    H3*  PSU   1           H3*      PSU   1  -3.328   9.718  -3.076
    8    H4*  PSU   1           H4*      PSU   1  -5.846  11.306  -3.314
    9   1H5*  PSU   1          1H5*      PSU   1  -5.887  11.040  -0.813
   10   2H5*  PSU   1          2H5*      PSU   1  -6.011   9.556  -1.774
   11    H5T  PSU   1           H5T      PSU   1  -4.408   8.946  -0.554
   12   1H5*    C   2          1H5*        C   2  -3.710  10.703  -7.135
   13   2H5*    C   2          2H5*        C   2  -4.189   9.180  -7.910
   14    H4*    C   2           H4*        C   2  -2.718  10.094  -9.426
   15    H3*    C   2           H3*        C   2  -1.369   8.017  -7.768
   16    H2*    C   2           H2*        C   2   0.785   8.549  -8.686
   17   2HO*    C   2          2HO*        C   2   0.228   8.853 -10.846
   18    H1*    C   2           H1*        C   2   0.555  11.306  -8.540
   19   1H4     C   2          1H4         C   2   2.995   9.891  -2.865
   20   2H4     C   2          2H4         C   2   1.411   9.452  -2.269
   21    H5     C   2           H5         C   2  -0.557   9.389  -3.674
   22    H6     C   2           H6         C   2  -1.397   9.697  -5.941
   23   1H5*    U   3          1H5*        U   3   0.505   6.836 -11.176
   24   2H5*    U   3          2H5*        U   3  -0.401   5.399 -11.693
   25    H4*    U   3           H4*        U   3   1.704   4.596 -11.862
   26    H3*    U   3           H3*        U   3   0.734   3.932  -9.120
   27    H2*    U   3           H2*        U   3   2.909   3.166  -8.452
   28   2HO*    U   3          2HO*        U   3   3.973   3.674 -11.020
   29    H1*    U   3           H1*        U   3   4.359   5.256  -9.546
   30    H3     U   3           H3         U   3   4.460   6.608  -5.290
   31    H5     U   3           H5         U   3   0.419   7.056  -6.342
   32    H6     U   3           H6         U   3   0.931   6.011  -8.448
   33   1H5*    C   4          1H5*        C   4   3.407   1.425 -10.402
   34   2H5*    C   4          2H5*        C   4   2.878  -0.262 -10.550
   35    H4*    C   4           H4*        C   4   5.032  -0.262  -9.570
   36    H3*    C   4           H3*        C   4   2.812  -1.026  -7.721
   37    H2*    C   4           H2*        C   4   4.338  -1.164  -5.867
   38   2HO*    C   4          2HO*        C   4   6.675  -0.549  -6.583
   39    H1*    C   4           H1*        C   4   5.686   1.201  -6.386
   40   1H4     C   4          1H4         C   4   0.933   3.169  -2.691
   41   2H4     C   4          2H4         C   4  -0.190   3.084  -4.029
   42    H5     C   4           H5         C   4   0.425   2.225  -6.210
   43    H6     C   4           H6         C   4   2.236   1.277  -7.541
   44    H1*  OMG   5           H1*      OMG   5   6.875  -1.309  -2.774
   45    H2*  OMG   5           H2*      OMG   5   6.583  -3.591  -1.235
   46    H3*  OMG   5           H3*      OMG   5   5.203  -4.793  -2.799
   47    H4*  OMG   5           H4*      OMG   5   7.031  -4.052  -5.048
   48   1HM2  OMG   5          1HM2      OMG   5   8.515  -2.596  -0.630
   49   2HM2  OMG   5          2HM2      OMG   5   8.921  -1.524  -1.967
   50   3HM2  OMG   5          3HM2      OMG   5   9.986  -2.868  -1.561
   51   1H5*  OMG   5          1H5*      OMG   5   4.927  -5.333  -5.435
   52   2H5*  OMG   5          2H5*      OMG   5   4.024  -3.886  -4.948
   53    H8   OMG   5           H8       OMG   5   3.515  -2.066  -3.806
   54    HN1  OMG   5           HN1      OMG   5   3.689  -0.413   2.390
   55   1HN2  OMG   5          1HN2      OMG   5   5.740  -0.488   3.144
   56   2HN2  OMG   5          2HN2      OMG   5   7.091  -0.945   2.133
   57    H1*  OMG   6           H1*      OMG   6   6.161  -3.403   3.323
   58    H2*  OMG   6           H2*      OMG   6   4.889  -5.937   3.479
   59    H3*  OMG   6           H3*      OMG   6   5.722  -6.726   1.373
   60    H4*  OMG   6           H4*      OMG   6   8.356  -5.413   2.017
   61   1HM2  OMG   6          1HM2      OMG   6   5.298  -4.571   5.399
   62   2HM2  OMG   6          2HM2      OMG   6   6.631  -5.212   6.356
   63   3HM2  OMG   6          3HM2      OMG   6   6.869  -3.774   5.366
   64   1H5*  OMG   6          1H5*      OMG   6   8.248  -4.777  -0.443
   65   2H5*  OMG   6          2H5*      OMG   6   8.516  -6.485  -0.040
   66    H8   OMG   6           H8       OMG   6   4.557  -4.336   0.052
   67    HN1  OMG   6           HN1      OMG   6   0.543  -1.782   4.357
   68   1HN2  OMG   6          1HN2      OMG   6   1.505  -1.648   6.312
   69   2HN2  OMG   6          2HN2      OMG   6   3.146  -2.190   6.584
   70   1H5*    C   7          1H5*        C   7   6.581  -7.843   5.409
   71   2H5*    C   7          2H5*        C   7   6.290  -9.590   5.508
   72    H4*    C   7           H4*        C   7   5.070  -8.553   7.253
   73    H3*    C   7           H3*        C   7   3.321  -9.547   5.020
   74    H2*    C   7           H2*        C   7   1.396  -8.738   6.205
   75   2HO*    C   7          2HO*        C   7   2.119  -7.680   8.403
   76    H1*    C   7           H1*        C   7   2.595  -6.326   7.067
   77   1H4     C   7          1H4         C   7  -0.548  -4.381   1.949
   78   2H4     C   7          2H4         C   7   0.551  -5.236   0.890
   79    H5     C   7           H5         C   7   2.328  -6.663   1.713
   80    H6     C   7           H6         C   7   3.415  -7.543   3.713
   81   1H5*    C   8          1H5*        C   8   1.733 -10.785   8.375
   82   2H5*    C   8          2H5*        C   8   1.653 -12.540   8.624
   83    H4*    C   8           H4*        C   8  -0.442 -11.944   9.260
   84    H3*    C   8           H3*        C   8  -0.570 -12.647   6.354
   85    H2*    C   8           H2*        C   8  -2.847 -11.922   6.228
   86   2HO*    C   8          2HO*        C   8  -2.977 -11.367   8.984
   87    H1*    C   8           H1*        C   8  -2.575  -9.651   7.863
   88   1H4     C   8          1H4         C   8  -1.955  -6.973   2.195
   89   2H4     C   8          2H4         C   8  -0.558  -7.951   1.805
   90    H5     C   8           H5         C   8   0.311  -9.655   3.295
   91    H6     C   8           H6         C   8  -0.013 -10.785   5.433
   92    HN1  PSU   9           HN1      PSU   9  -2.998  -9.751   2.347
   93    HN3  PSU   9           HN3      PSU   9  -6.499  -7.679   2.629
   94    H6   PSU   9           H6       PSU   9  -3.455 -10.904   4.394
   95    H1*  PSU   9           H1*      PSU   9  -5.590 -10.045   6.772
   96    H2*  PSU   9           H2*      PSU   9  -7.667 -10.930   5.076
   97   *HO2  PSU   9          *HO2      PSU   9  -8.491 -10.909   7.035
   98    H3*  PSU   9           H3*      PSU   9  -6.499 -12.934   4.410
   99    H4*  PSU   9           H4*      PSU   9  -5.697 -13.251   7.300
  100   1H5*  PSU   9          1H5*      PSU   9  -4.864 -15.089   6.203
  101   2H5*  PSU   9          2H5*      PSU   9  -4.543 -14.188   4.708
  102   1H5*    U  10          1H5*        U  10  -8.547 -16.399   2.525
  103   2H5*    U  10          2H5*        U  10  -7.113 -15.410   2.190
  104    H4*    U  10           H4*        U  10  -8.703 -15.359   0.349
  105    H3*    U  10           H3*        U  10  -7.365 -13.194   1.090
  106    H2*    U  10           H2*        U  10  -8.913 -12.394   2.772
  107   2HO*    U  10          2HO*        U  10  -8.703 -10.706   1.236
  108    H1*    U  10           H1*        U  10 -11.248 -12.956   0.870
  109    H3     U  10           H3         U  10 -14.403 -12.265   3.908
  110    H5     U  10           H5         U  10 -11.155 -13.499   6.267
  111    H6     U  10           H6         U  10  -9.868 -13.714   4.244
  112   1H5*    U  11          1H5*        U  11  -7.338 -10.092  -3.205
  113   2H5*    U  11          2H5*        U  11  -8.444 -10.186  -1.821
  114    H4*    U  11           H4*        U  11  -9.204 -10.870  -4.653
  115    H3*    U  11           H3*        U  11  -8.690  -8.311  -4.077
  116    H2*    U  11           H2*        U  11 -10.072  -8.102  -2.115
  117   2HO*    U  11          2HO*        U  11 -12.218  -7.348  -2.961
  118    H1*    U  11           H1*        U  11 -12.275  -9.720  -3.501
  119    H3     U  11           H3         U  11 -14.776 -10.167   0.137
  120    H5     U  11           H5         U  11 -10.925  -9.716   1.751
  121    H6     U  11           H6         U  11 -10.084  -9.555  -0.494
  122   1H5*    U  12          1H5*        U  12 -11.625  -4.873  -5.567
  123   2H5*    U  12          2H5*        U  12 -10.020  -4.576  -6.264
  124    H4*    U  12           H4*        U  12  -9.500  -3.245  -4.596
  125    H3*    U  12           H3*        U  12  -9.001  -5.504  -3.311
  126    H2*    U  12           H2*        U  12 -11.106  -6.075  -2.404
  127   2HO*    U  12          2HO*        U  12  -9.587  -4.789  -0.691
  128    H1*    U  12           H1*        U  12 -12.028  -3.278  -1.817
  129    H3     U  12           H3         U  12 -15.724  -4.415  -4.824
  130    H5     U  12           H5         U  12 -15.123  -7.158  -1.701
  131    H6     U  12           H6         U  12 -12.997  -6.109  -1.290
  132    H1*  OMG  13           H1*      OMG  13  -9.184  -4.235   4.028
  133    H2*  OMG  13           H2*      OMG  13  -7.980  -1.738   4.033
  134    H3*  OMG  13           H3*      OMG  13  -8.688  -1.128   1.812
  135    H4*  OMG  13           H4*      OMG  13 -11.475  -2.023   2.459
  136   1HM2  OMG  13          1HM2      OMG  13  -9.970  -2.259   6.858
  137   2HM2  OMG  13          2HM2      OMG  13  -8.618  -3.025   6.027
  138   3HM2  OMG  13          3HM2      OMG  13 -10.239  -3.699   5.881
  139   1H5*  OMG  13          1H5*      OMG  13 -11.706  -2.639   0.232
  140   2H5*  OMG  13          2H5*      OMG  13 -10.757  -1.141   0.184
  141    H8   OMG  13           H8       OMG  13  -7.901  -2.931   0.646
  142    HN1  OMG  13           HN1      OMG  13  -3.873  -6.666   3.953
  143   1HN2  OMG  13          1HN2      OMG  13  -4.679  -7.096   5.935
  144   2HN2  OMG  13          2HN2      OMG  13  -6.225  -6.473   6.468
  145   1H5*    G  14          1H5*        G  14  -9.734   0.062   5.800
  146   2H5*    G  14          2H5*        G  14  -9.155   1.724   6.032
  147    H4*    G  14           H4*        G  14  -8.380   0.236   7.796
  148    H3*    G  14           H3*        G  14  -6.257   1.434   6.025
  149    H2*    G  14           H2*        G  14  -4.608   0.333   7.385
  150   2HO*    G  14          2HO*        G  14  -6.543   0.582   9.241
  151    H1*    G  14           H1*        G  14  -6.063  -2.080   7.632
  152    H8     G  14           H8         G  14  -6.132  -0.586   4.151
  153    H1     G  14           H1         G  14  -1.095  -4.372   5.355
  154   1H2     G  14          1H2         G  14  -1.005  -4.868   7.481
  155   2H2     G  14          2H2         G  14  -2.187  -4.284   8.632
  156   1H5*    C  15          1H5*        C  15  -4.795   1.529   9.612
  157   2H5*    C  15          2H5*        C  15  -4.682   3.201  10.194
  158    H4*    C  15           H4*        C  15  -2.663   2.432  10.856
  159    H3*    C  15           H3*        C  15  -2.243   3.541   8.101
  160    H2*    C  15           H2*        C  15   0.040   2.779   8.150
  161   2HO*    C  15          2HO*        C  15  -0.051   1.575  10.626
  162    H1*    C  15           H1*        C  15  -0.512   0.259   9.188
  163   1H4     C  15          1H4         C  15  -0.832  -0.885   2.974
  164   2H4     C  15          2H4         C  15  -2.293   0.060   2.825
  165    H5     C  15           H5         C  15  -3.278   1.271   4.674
  166    H6     C  15           H6         C  15  -3.055   1.824   7.040
  167   1H5*    U  16          1H5*        U  16   2.480   5.437   8.594
  168   2H5*    U  16          2H5*        U  16   1.274   4.902   7.407
  169    H4*    U  16           H4*        U  16   2.885   3.038   9.142
  170    H3*    U  16           H3*        U  16   3.597   4.161   6.456
  171    H2*    U  16           H2*        U  16   4.303   1.988   5.714
  172   2HO*    U  16          2HO*        U  16   3.753   0.559   7.977
  173    H1*    U  16           H1*        U  16   2.166   0.568   6.826
  174    H3     U  16           H3         U  16   2.229   1.181   2.146
  175    H5     U  16           H5         U  16  -0.807   3.534   3.858
  176    H6     U  16           H6         U  16   0.180   3.097   6.007
  177   1H5*    A  17          1H5*        A  17   5.569   3.653   5.062
  178   2H5*    A  17          2H5*        A  17   6.337   2.592   6.259
  179    H4*    A  17           H4*        A  17   8.504   2.982   5.282
  180    H3*    A  17           H3*        A  17   7.145   5.047   3.599
  181    H2*    A  17           H2*        A  17   8.438   4.387   1.678
  182   2HO*    A  17          2HO*        A  17   9.893   2.907   3.627
  183    H1*    A  17           H1*        A  17   8.058   1.662   1.980
  184    H8     A  17           H8         A  17   4.829   2.684   3.249
  185   1H6     A  17          1H6         A  17   3.022   3.964  -2.534
  186   2H6     A  17          2H6         A  17   2.491   3.718  -0.885
  187    H2     A  17           H2         A  17   7.479   3.459  -2.549
  188   1H5*    A  18          1H5*        A  18  10.845   4.664   2.415
  189   2H5*    A  18          2H5*        A  18  11.796   6.142   2.661
  190    H4*    A  18           H4*        A  18  12.325   5.326   0.514
  191    H3*    A  18           H3*        A  18  10.571   7.762   0.429
  192    H2*    A  18           H2*        A  18  10.590   7.652  -1.981
  193   2HO*    A  18          2HO*        A  18  12.809   6.058  -1.455
  194    H1*    A  18           H1*        A  18  10.105   4.911  -2.123
  195    H8     A  18           H8         A  18   8.361   6.672   0.788
  196   1H6     A  18          1H6         A  18   3.545   7.290  -3.056
  197   2H6     A  18          2H6         A  18   4.110   7.516  -1.415
  198    H2     A  18           H2         A  18   6.981   5.599  -5.389
  199    H1*  OMG  19           H1*      OMG  19  10.183   9.483  -5.272
  200    H2*  OMG  19           H2*      OMG  19  10.035  12.191  -4.506
  201    H3*  OMG  19           H3*      OMG  19  11.476  11.960  -2.592
  202    H4*  OMG  19           H4*      OMG  19  13.278  10.204  -4.244
  203   1HM2  OMG  19          1HM2      OMG  19  10.686  10.180  -7.294
  204   2HM2  OMG  19          2HM2      OMG  19   9.544  11.397  -6.732
  205   3HM2  OMG  19          3HM2      OMG  19  10.828  11.844  -7.853
  206   1H5*  OMG  19          1H5*      OMG  19  13.648   8.938  -2.219
  207   2H5*  OMG  19          2H5*      OMG  19  13.974  10.662  -1.953
  208    H8   OMG  19           H8       OMG  19   9.940   9.697  -1.544
  209    HN1  OMG  19           HN1      OMG  19   4.310  10.275  -4.562
  210   1HN2  OMG  19          1HN2      OMG  19   4.616  10.552  -6.710
  211   2HN2  OMG  19          2HN2      OMG  19   6.211  10.593  -7.428
  212   1H5*    A  20          1H5*        A  20  11.322  13.558  -6.561
  213   2H5*    A  20          2H5*        A  20  11.585  15.294  -6.305
  214    H4*    A  20           H4*        A  20   9.497  14.747  -7.522
  215    H3*    A  20           H3*        A  20   9.376  16.316  -4.965
  216    H2*    A  20           H2*        A  20   7.001  16.333  -5.064
  217   2HO*    A  20          2HO*        A  20   6.204  15.390  -7.298
  218    H1*    A  20           H1*        A  20   6.733  13.783  -6.384
  219    H8     A  20           H8         A  20   8.739  13.923  -3.151
  220   1H6     A  20          1H6         A  20   3.442  12.465  -0.297
  221   2H6     A  20          2H6         A  20   5.164  12.696  -0.095
  222    H2     A  20           H2         A  20   2.523  13.249  -4.613
  223    H3T    A  20           H3T        A  20   8.828  16.961  -7.641


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