NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
8532 1me0 cing 1-original 4 MR format nomenclature mapping




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H5*    G   1          1H5*        G   1   4.247 -11.840   6.341
    2   2H5*    G   1          2H5*        G   1   4.846 -12.215   4.701
    3    H4*    G   1           H4*        G   1   2.369 -12.343   4.931
    4    H3*    G   1           H3*        G   1   3.788 -10.856   2.974
    5    H1*    G   1           H1*        G   1   0.446  -9.727   4.652
    6    H8     G   1           H8         G   1   3.631  -7.692   5.531
    7    H1     G   1           H1         G   1  -1.921  -4.898   6.905
    8   1H2     G   1          1H2         G   1  -3.310  -7.795   5.581
    9   2H2     G   1          2H2         G   1  -3.593  -6.223   6.305
   10    H5T    G   1           H5T        G   1   4.435  -9.583   5.719
   11   1H2*    G   1          1H2*        G   1   3.036  -8.768   3.506
   12   2H2*    G   1          2H2*        G   1   1.510  -9.330   2.678
   13   1H5*    G   2          1H5*        G   2  -1.213 -11.449   2.903
   14   2H5*    G   2          2H5*        G   2  -1.372 -11.915   1.189
   15    H4*    G   2           H4*        G   2  -3.339 -10.696   2.020
   16    H3*    G   2           H3*        G   2  -1.734  -9.832  -0.199
   17    H1*    G   2           H1*        G   2  -3.713  -7.572   2.303
   18    H8     G   2           H8         G   2   0.144  -7.396   2.329
   19    H1     G   2           H1         G   2  -2.747  -2.296   4.780
   20   1H2     G   2          1H2         G   2  -5.683  -3.946   3.944
   21   2H2     G   2          2H2         G   2  -4.938  -2.519   4.637
   22   1H2*    G   2          1H2*        G   2  -1.364  -7.714   0.453
   23   2H2*    G   2          2H2*        G   2  -3.134  -7.465   0.102
   24   1H5*    A   3          1H5*        A   3  -6.094  -8.226   0.622
   25   2H5*    A   3          2H5*        A   3  -6.963  -8.293  -0.922
   26    H4*    A   3           H4*        A   3  -7.753  -6.407   0.427
   27    H3*    A   3           H3*        A   3  -6.754  -6.201  -2.238
   28    H1*    A   3           H1*        A   3  -6.361  -3.501   0.579
   29    H8     A   3           H8         A   3  -3.203  -5.294  -0.757
   30   1H6     A   3          1H6         A   3   0.110  -2.412   1.188
   31   2H6     A   3          2H6         A   3   0.022  -0.943   2.138
   32    H2     A   3           H2         A   3  -4.348  -0.062   2.726
   33   1H2*    A   3          1H2*        A   3  -5.143  -4.658  -1.899
   34   2H2*    A   3          2H2*        A   3  -6.540  -3.505  -1.692
   35   1H5*    C   4          1H5*        C   4  -9.227  -2.528  -0.348
   36   2H5*    C   4          2H5*        C   4 -10.251  -1.892  -1.650
   37    H4*    C   4           H4*        C   4  -9.350  -0.057  -0.305
   38    H3*    C   4           H3*        C   4  -8.988  -0.314  -3.144
   39    H1*    C   4           H1*        C   4  -6.611   1.344  -0.570
   40   1H4     C   4          1H4         C   4  -0.530  -0.433  -0.859
   41   2H4     C   4          2H4         C   4  -0.910  -1.806  -1.882
   42    H5     C   4           H5         C   4  -3.149  -2.357  -2.578
   43    H6     C   4           H6         C   4  -5.496  -1.690  -2.469
   44   1H2*    C   4          1H2*        C   4  -6.747  -0.126  -3.184
   45   2H2*    C   4          2H2*        C   4  -7.050   1.630  -2.801
   46   1H5*  U25   5          1H5*      U5P   5  -8.126   4.191  -1.095
   47   2H5*  U25   5          2H5*      U5P   5  -8.739   5.239  -2.390
   48    H4*  U25   5           H4*      U5P   5  -6.670   6.172  -1.528
   49    H3*  U25   5           H3*      U5P   5  -6.614   4.956  -4.273
   50    H2*  U25   5           H2*      U5P   5  -4.383   5.288  -4.535
   51    H1*  U25   5           H1*      U5P   5  -3.601   5.258  -1.813
   52    H3   U25   5           HN3      U5P   5  -0.927   1.858  -2.909
   53    H5   U25   5           H5       U5P   5  -4.523   0.817  -4.818
   54    H6   U25   5           H6       U5P   5  -5.491   2.882  -3.981
   55   3HO*  U25   5          *HO3      U5P   5  -6.351   7.619  -3.258
   56   1H5*  U25   6          1H5*      U5P   6  -1.632   7.565  -2.539
   57   2H5*  U25   6          2H5*      U5P   6  -1.135   8.982  -3.489
   58    H4*  U25   6           H4*      U5P   6   0.824   7.671  -2.793
   59    H3*  U25   6           H3*      U5P   6   0.205   8.443  -5.440
   60    H2*  U25   6           H2*      U5P   6   0.041   6.438  -6.415
   61    H1*  U25   6           H1*      U5P   6   1.822   4.986  -4.497
   62    H3   U25   6           HN3      U5P   6   0.311   1.098  -6.117
   63    H5   U25   6           H5       U5P   6  -3.007   3.640  -6.600
   64    H6   U25   6           H6       U5P   6  -1.697   5.435  -5.604
   65   3HO*  U25   6          *HO3      U5P   6   2.662   8.073  -5.530
   66   1H5*  C25   7          1H5*      C5P   7   3.545   3.769  -9.365
   67   2H5*  C25   7          2H5*      C5P   7   3.208   2.422  -8.258
   68    H4*  C25   7           H4*      C5P   7   5.605   2.606  -9.106
   69    H3*  C25   7           H3*      C5P   7   4.635   1.977  -6.501
   70    H2*  C25   7           H2*      C5P   7   5.645   3.570  -5.278
   71    H1*  C25   7           H1*      C5P   7   7.818   4.218  -7.220
   72   1H4   C25   7          1HN4      C5P   7   7.110   9.691  -4.059
   73   2H4   C25   7          2HN4      C5P   7   5.378   9.474  -3.964
   74    H5   C25   7           H5       C5P   7   4.237   7.553  -4.868
   75    H6   C25   7           H6       C5P   7   4.519   5.426  -6.045
   76   3HO*  C25   7          *HO3      C5P   7   7.266   1.449  -7.422
   77   1H5*  G25   8          1H5*      5GP   8   8.719   3.632  -3.813
   78   2H5*  G25   8          2H5*      5GP   8   9.387   2.733  -2.418
   79    H4*  G25   8           H4*      5GP   8   8.798   5.116  -1.927
   80    H3*  G25   8           H3*      5GP   8   7.366   2.822  -0.629
   81    H2*  G25   8           H2*      5GP   8   5.849   4.148   0.470
   82    H1*  G25   8           H1*      5GP   8   5.453   6.085  -1.420
   83    H8   G25   8           H8       5GP   8   5.703   2.388  -2.417
   84    H1   G25   8           HN1      5GP   8  -0.238   4.450  -1.498
   85   1H2   G25   8          1HN2      5GP   8   1.294   7.352  -0.354
   86   2H2   G25   8          2HN2      5GP   8  -0.199   6.497  -0.663
   87   3HO*  G25   8          *HO3      5GP   8   8.985   4.964   0.353
   88   1H5*    G   9          1H5*        G   9   4.840   7.911   1.008
   89   2H5*    G   9          2H5*        G   9   5.295   8.406   2.665
   90    H4*    G   9           H4*        G   9   2.908   8.768   2.227
   91    H3*    G   9           H3*        G   9   3.919   7.153   4.323
   92    H1*    G   9           H1*        G   9   0.653   6.346   2.309
   93    H8     G   9           H8         G   9   3.781   4.146   1.769
   94    H1     G   9           H1         G   9  -1.758   1.431   0.176
   95   1H2     G   9          1H2         G   9  -3.144   4.441   1.205
   96   2H2     G   9          2H2         G   9  -3.419   2.838   0.555
   97   1H2*    G   9          1H2*        G   9   2.989   5.185   3.764
   98   2H2*    G   9          2H2*        G   9   1.457   5.937   4.401
   99   1H5*    T  10          1H5*        T  10  -0.810   8.074   4.096
  100   2H5*    T  10          2H5*        T  10  -1.178   8.624   5.742
  101    H4*    T  10           H4*        T  10  -3.066   7.373   4.845
  102    H3*    T  10           H3*        T  10  -1.678   6.672   7.259
  103   1H2*    T  10          1H2*        T  10  -1.268   4.510   6.795
  104   2H2*    T  10          2H2*        T  10  -3.063   4.289   7.011
  105    H1*    T  10           H1*        T  10  -3.461   4.254   4.764
  106    H3     T  10           H3         T  10  -1.801   0.425   3.123
  107   1H5M    T  10          1H5M        T  10   2.275   2.551   5.658
  108   2H5M    T  10          2H5M        T  10   2.487   3.250   4.037
  109   3H5M    T  10          3H5M        T  10   2.549   1.487   4.257
  110    H6     T  10           H6         T  10   0.236   4.200   5.272
  111   1H5*    C  11          1H5*        C  11  -5.953   5.182   6.222
  112   2H5*    C  11          2H5*        C  11  -6.994   5.216   7.659
  113    H4*    C  11           H4*        C  11  -7.579   3.323   6.230
  114    H3*    C  11           H3*        C  11  -6.813   3.093   8.986
  115    H1*    C  11           H1*        C  11  -6.220   0.495   6.147
  116   1H4     C  11          1H4         C  11  -0.226  -1.556   5.765
  117   2H4     C  11          2H4         C  11   0.357  -0.257   6.790
  118    H5     C  11           H5         C  11  -1.094   1.439   7.725
  119    H6     C  11           H6         C  11  -3.407   2.234   7.877
  120   1H2*    C  11          1H2*        C  11  -5.209   1.530   8.766
  121   2H2*    C  11          2H2*        C  11  -6.586   0.404   8.380
  122   1H5*    C  12          1H5*        C  12  -8.970  -0.617   6.656
  123   2H5*    C  12          2H5*        C  12 -10.206  -1.095   7.836
  124    H4*    C  12           H4*        C  12  -9.351  -3.069   6.702
  125    H3*    C  12           H3*        C  12  -9.236  -2.699   9.549
  126    H1*    C  12           H1*        C  12  -6.719  -4.670   7.319
  127   1H4     C  12          1H4         C  12  -0.649  -3.023   8.121
  128   2H4     C  12          2H4         C  12  -1.080  -1.640   9.111
  129    H5     C  12           H5         C  12  -3.365  -1.044   9.624
  130    H6     C  12           H6         C  12  -5.711  -1.655   9.298
  131    H3T    C  12           H3T        C  12  -9.360  -5.038   7.907
  132   1H2*    C  12          1H2*        C  12  -7.062  -3.119   9.866
  133   2H2*    C  12          2H2*        C  12  -7.490  -4.846   9.463
  Start of MODEL    2
    1   1H5*    G   1          1H5*        G   1   5.060 -11.894   5.700
    2   2H5*    G   1          2H5*        G   1   5.389 -12.134   3.960
    3    H4*    G   1           H4*        G   1   3.013 -12.526   4.618
    4    H3*    G   1           H3*        G   1   3.928 -10.841   2.526
    5    H1*    G   1           H1*        G   1   0.840 -10.091   4.808
    6    H8     G   1           H8         G   1   3.997  -7.919   5.385
    7    H1     G   1           H1         G   1  -1.508  -5.315   7.238
    8   1H2     G   1          1H2         G   1  -2.915  -8.235   5.985
    9   2H2     G   1          2H2         G   1  -3.183  -6.681   6.754
   10    H5T    G   1           H5T        G   1   4.898  -9.599   5.164
   11   1H2*    G   1          1H2*        G   1   3.084  -8.860   3.264
   12   2H2*    G   1          2H2*        G   1   1.497  -9.558   2.697
   13   1H5*    G   2          1H5*        G   2  -1.003 -11.728   3.114
   14   2H5*    G   2          2H5*        G   2  -1.301 -12.235   1.429
   15    H4*    G   2           H4*        G   2  -3.245 -11.107   2.418
   16    H3*    G   2           H3*        G   2  -1.899 -10.182   0.059
   17    H1*    G   2           H1*        G   2  -3.736  -7.993   2.723
   18    H8     G   2           H8         G   2   0.101  -7.691   2.481
   19    H1     G   2           H1         G   2  -2.820  -2.670   5.030
   20   1H2     G   2          1H2         G   2  -5.734  -4.442   4.357
   21   2H2     G   2          2H2         G   2  -5.014  -2.978   5.000
   22   1H2*    G   2          1H2*        G   2  -1.557  -8.046   0.673
   23   2H2*    G   2          2H2*        G   2  -3.363  -7.870   0.480
   24   1H5*    A   3          1H5*        A   3  -6.272  -8.356   1.176
   25   2H5*    A   3          2H5*        A   3  -7.126  -8.577  -0.363
   26    H4*    A   3           H4*        A   3  -7.870  -6.513   0.679
   27    H3*    A   3           H3*        A   3  -6.685  -6.633  -1.920
   28    H1*    A   3           H1*        A   3  -6.402  -3.676   0.630
   29    H8     A   3           H8         A   3  -3.205  -5.633  -0.312
   30   1H6     A   3          1H6         A   3   0.044  -2.581   1.472
   31   2H6     A   3          2H6         A   3  -0.074  -1.025   2.267
   32    H2     A   3           H2         A   3  -4.461  -0.062   2.566
   33   1H2*    A   3          1H2*        A   3  -5.045  -5.113  -1.622
   34   2H2*    A   3          2H2*        A   3  -6.406  -3.902  -1.642
   35   1H5*    C   4          1H5*        C   4  -8.996  -2.786  -0.282
   36   2H5*    C   4          2H5*        C   4 -10.083  -2.294  -1.596
   37    H4*    C   4           H4*        C   4  -9.300  -0.313  -0.417
   38    H3*    C   4           H3*        C   4  -8.901  -0.761  -3.216
   39    H1*    C   4           H1*        C   4  -6.607   1.203  -0.798
   40   1H4     C   4          1H4         C   4  -0.452  -0.316  -0.962
   41   2H4     C   4          2H4         C   4  -0.784  -1.862  -1.721
   42    H5     C   4           H5         C   4  -3.012  -2.613  -2.275
   43    H6     C   4           H6         C   4  -5.388  -2.020  -2.239
   44   1H2*    C   4          1H2*        C   4  -6.658  -0.541  -3.243
   45   2H2*    C   4          2H2*        C   4  -7.021   1.233  -3.055
   46   1H5*  U25   5          1H5*      U5P   5  -8.150   3.867  -1.284
   47   2H5*  U25   5          2H5*      U5P   5  -8.852   4.827  -2.601
   48    H4*  U25   5           H4*      U5P   5  -6.876   5.964  -1.792
   49    H3*  U25   5           H3*      U5P   5  -6.686   4.644  -4.481
   50    H2*  U25   5           H2*      U5P   5  -4.490   5.158  -4.744
   51    H1*  U25   5           H1*      U5P   5  -3.730   5.314  -2.019
   52    H3   U25   5           HN3      U5P   5  -0.734   2.188  -3.151
   53    H5   U25   5           H5       U5P   5  -4.322   0.615  -4.678
   54    H6   U25   5           H6       U5P   5  -5.445   2.633  -3.932
   55   3HO*  U25   5          *HO3      U5P   5  -6.633   7.366  -3.607
   56   1H5*  U25   6          1H5*      U5P   6  -1.941   7.650  -2.788
   57   2H5*  U25   6          2H5*      U5P   6  -1.528   9.065  -3.780
   58    H4*  U25   6           H4*      U5P   6   0.502   7.915  -2.998
   59    H3*  U25   6           H3*      U5P   6  -0.109   8.569  -5.681
   60    H2*  U25   6           H2*      U5P   6  -0.101   6.531  -6.604
   61    H1*  U25   6           H1*      U5P   6   1.727   5.263  -4.602
   62    H3   U25   6           HN3      U5P   6   0.530   1.244  -6.163
   63    H5   U25   6           H5       U5P   6  -2.963   3.524  -6.731
   64    H6   U25   6           H6       U5P   6  -1.794   5.433  -5.772
   65   3HO*  U25   6          *HO3      U5P   6   2.435   8.213  -5.598
   66   1H5*  C25   7          1H5*      C5P   7   3.677   3.998  -9.328
   67   2H5*  C25   7          2H5*      C5P   7   3.398   2.679  -8.174
   68    H4*  C25   7           H4*      C5P   7   5.802   3.017  -8.981
   69    H3*  C25   7           H3*      C5P   7   4.808   2.367  -6.380
   70    H2*  C25   7           H2*      C5P   7   5.712   4.021  -5.164
   71    H1*  C25   7           H1*      C5P   7   7.863   4.777  -7.091
   72   1H4   C25   7          1HN4      C5P   7   6.851  10.210  -3.951
   73   2H4   C25   7          2HN4      C5P   7   5.138   9.886  -3.828
   74    H5   C25   7           H5       C5P   7   4.107   7.891  -4.702
   75    H6   C25   7           H6       C5P   7   4.497   5.794  -5.901
   76   3HO*  C25   7          *HO3      C5P   7   7.470   1.972  -7.297
   77   1H5*  G25   8          1H5*      5GP   8   8.772   4.301  -3.571
   78   2H5*  G25   8          2H5*      5GP   8   9.430   3.346  -2.210
   79    H4*  G25   8           H4*      5GP   8   8.806   5.686  -1.600
   80    H3*  G25   8           H3*      5GP   8   7.353   3.315  -0.474
   81    H2*  G25   8           H2*      5GP   8   5.788   4.563   0.646
   82    H1*  G25   8           H1*      5GP   8   5.411   6.592  -1.164
   83    H8   G25   8           H8       5GP   8   5.818   2.932  -2.276
   84    H1   G25   8           HN1      5GP   8  -0.231   4.802  -1.724
   85   1H2   G25   8          1HN2      5GP   8   1.119   7.729  -0.435
   86   2H2   G25   8          2HN2      5GP   8  -0.317   6.830  -0.863
   87   3HO*  G25   8          *HO3      5GP   8   8.893   5.417   0.700
   88   1H5*    G   9          1H5*        G   9   4.684   8.265   1.170
   89   2H5*    G   9          2H5*        G   9   4.979   8.729   2.870
   90    H4*    G   9           H4*        G   9   2.635   9.064   2.227
   91    H3*    G   9           H3*        G   9   3.481   7.413   4.368
   92    H1*    G   9           H1*        G   9   0.416   6.622   2.055
   93    H8     G   9           H8         G   9   3.625   4.528   1.632
   94    H1     G   9           H1         G   9  -1.762   1.631  -0.168
   95   1H2     G   9          1H2         G   9  -3.288   4.571   0.877
   96   2H2     G   9          2H2         G   9  -3.487   2.968   0.196
   97   1H2*    G   9          1H2*        G   9   2.621   5.453   3.695
   98   2H2*    G   9          2H2*        G   9   1.031   6.181   4.203
   99   1H5*    T  10          1H5*        T  10  -1.322   8.119   3.807
  100   2H5*    T  10          2H5*        T  10  -1.730   8.701   5.432
  101    H4*    T  10           H4*        T  10  -3.558   7.346   4.582
  102    H3*    T  10           H3*        T  10  -2.136   6.758   6.998
  103   1H2*    T  10          1H2*        T  10  -1.577   4.624   6.552
  104   2H2*    T  10          2H2*        T  10  -3.350   4.288   6.800
  105    H1*    T  10           H1*        T  10  -3.778   4.190   4.561
  106    H3     T  10           H3         T  10  -1.916   0.448   2.958
  107   1H5M    T  10          1H5M        T  10   2.377   1.776   4.025
  108   2H5M    T  10          2H5M        T  10   2.063   2.884   5.382
  109   3H5M    T  10          3H5M        T  10   2.210   3.519   3.729
  110    H6     T  10           H6         T  10  -0.079   4.369   5.015
  111   1H5*    C  11          1H5*        C  11  -6.346   4.743   6.004
  112   2H5*    C  11          2H5*        C  11  -7.281   4.813   7.510
  113    H4*    C  11           H4*        C  11  -7.801   2.758   6.311
  114    H3*    C  11           H3*        C  11  -6.760   2.830   8.986
  115    H1*    C  11           H1*        C  11  -6.218   0.064   6.305
  116   1H4     C  11          1H4         C  11  -0.158  -1.603   5.538
  117   2H4     C  11          2H4         C  11   0.420  -0.134   6.305
  118    H5     C  11           H5         C  11  -1.066   1.565   7.189
  119    H6     C  11           H6         C  11  -3.416   2.190   7.520
  120   1H2*    C  11          1H2*        C  11  -5.046   1.400   8.717
  121   2H2*    C  11          2H2*        C  11  -6.345   0.130   8.576
  122   1H5*    C  12          1H5*        C  12  -8.762  -1.238   7.176
  123   2H5*    C  12          2H5*        C  12  -9.860  -1.682   8.497
  124    H4*    C  12           H4*        C  12  -8.982  -3.697   7.474
  125    H3*    C  12           H3*        C  12  -8.606  -3.050  10.248
  126    H1*    C  12           H1*        C  12  -6.234  -5.105   7.942
  127   1H4     C  12          1H4         C  12  -0.190  -3.182   8.071
  128   2H4     C  12          2H4         C  12  -0.612  -1.679   8.873
  129    H5     C  12           H5         C  12  -2.881  -1.094   9.476
  130    H6     C  12           H6         C  12  -5.217  -1.834   9.429
  131    H3T    C  12           H3T        C  12  -9.048  -5.305  10.419
  132   1H2*    C  12          1H2*        C  12  -6.390  -3.340  10.366
  133   2H2*    C  12          2H2*        C  12  -6.764  -5.117  10.170
  Start of MODEL    3
    1   1H5*    G   1          1H5*        G   1   4.585 -12.154   6.509
    2   2H5*    G   1          2H5*        G   1   5.073 -12.500   4.826
    3    H4*    G   1           H4*        G   1   2.643 -12.835   5.265
    4    H3*    G   1           H3*        G   1   3.767 -11.269   3.189
    5    H1*    G   1           H1*        G   1   0.503 -10.343   5.139
    6    H8     G   1           H8         G   1   3.648  -8.201   5.878
    7    H1     G   1           H1         G   1  -1.932  -5.467   7.267
    8   1H2     G   1          1H2         G   1  -3.292  -8.415   6.026
    9   2H2     G   1          2H2         G   1  -3.590  -6.833   6.721
   10    H5T    G   1           H5T        G   1   4.495  -9.889   5.804
   11   1H2*    G   1          1H2*        G   1   2.921  -9.235   3.774
   12   2H2*    G   1          2H2*        G   1   1.377  -9.913   3.081
   13   1H5*    G   2          1H5*        G   2  -1.241 -12.074   3.439
   14   2H5*    G   2          2H5*        G   2  -1.403 -12.631   1.751
   15    H4*    G   2           H4*        G   2  -3.413 -11.463   2.522
   16    H3*    G   2           H3*        G   2  -1.837 -10.586   0.288
   17    H1*    G   2           H1*        G   2  -3.910  -8.341   2.730
   18    H8     G   2           H8         G   2  -0.067  -8.076   2.845
   19    H1     G   2           H1         G   2  -3.128  -2.940   4.975
   20   1H2     G   2          1H2         G   2  -6.002  -4.681   4.090
   21   2H2     G   2          2H2         G   2  -5.312  -3.213   4.757
   22   1H2*    G   2          1H2*        G   2  -1.558  -8.438   0.883
   23   2H2*    G   2          2H2*        G   2  -3.338  -8.274   0.528
   24   1H5*    A   3          1H5*        A   3  -6.238  -8.884   0.946
   25   2H5*    A   3          2H5*        A   3  -7.012  -8.995  -0.645
   26    H4*    A   3           H4*        A   3  -7.774  -6.993   0.532
   27    H3*    A   3           H3*        A   3  -6.529  -6.970  -2.055
   28    H1*    A   3           H1*        A   3  -6.352  -4.180   0.677
   29    H8     A   3           H8         A   3  -3.106  -6.072  -0.210
   30   1H6     A   3          1H6         A   3   0.045  -2.901   1.507
   31   2H6     A   3          2H6         A   3  -0.115  -1.321   2.251
   32    H2     A   3           H2         A   3  -4.525  -0.446   2.469
   33   1H2*    A   3          1H2*        A   3  -4.940  -5.428  -1.651
   34   2H2*    A   3          2H2*        A   3  -6.327  -4.241  -1.607
   35   1H5*    C   4          1H5*        C   4  -8.687  -3.171  -0.386
   36   2H5*    C   4          2H5*        C   4  -9.760  -2.584  -1.668
   37    H4*    C   4           H4*        C   4  -8.828  -0.672  -0.533
   38    H3*    C   4           H3*        C   4  -8.367  -1.195  -3.325
   39    H1*    C   4           H1*        C   4  -6.171   0.721  -0.821
   40   1H4     C   4          1H4         C   4   0.022  -0.652  -0.912
   41   2H4     C   4          2H4         C   4  -0.270  -2.236  -1.606
   42    H5     C   4           H5         C   4  -2.484  -3.061  -2.147
   43    H6     C   4           H6         C   4  -4.881  -2.517  -2.153
   44   1H2*    C   4          1H2*        C   4  -6.124  -1.004  -3.277
   45   2H2*    C   4          2H2*        C   4  -6.459   0.774  -3.095
   46   1H5*  U25   5          1H5*      U5P   5  -7.847   3.454  -1.295
   47   2H5*  U25   5          2H5*      U5P   5  -8.572   4.359  -2.641
   48    H4*  U25   5           H4*      U5P   5  -6.732   5.643  -1.681
   49    H3*  U25   5           H3*      U5P   5  -6.438   4.486  -4.431
   50    H2*  U25   5           H2*      U5P   5  -4.269   5.113  -4.667
   51    H1*  U25   5           H1*      U5P   5  -3.477   5.128  -1.965
   52    H3   U25   5           HN3      U5P   5  -0.473   2.108  -3.277
   53    H5   U25   5           H5       U5P   5  -4.068   0.525  -4.793
   54    H6   U25   5           H6       U5P   5  -5.214   2.486  -3.936
   55   3HO*  U25   5          *HO3      U5P   5  -6.560   7.138  -3.362
   56   1H5*  U25   6          1H5*      U5P   6  -1.921   7.798  -2.547
   57   2H5*  U25   6          2H5*      U5P   6  -1.684   9.309  -3.449
   58    H4*  U25   6           H4*      U5P   6   0.474   8.394  -2.703
   59    H3*  U25   6           H3*      U5P   6  -0.195   9.104  -5.355
   60    H2*  U25   6           H2*      U5P   6   0.063   7.128  -6.379
   61    H1*  U25   6           H1*      U5P   6   2.035   5.993  -4.437
   62    H3   U25   6           HN3      U5P   6   1.308   1.944  -6.214
   63    H5   U25   6           H5       U5P   6  -2.435   3.820  -6.642
   64    H6   U25   6           H6       U5P   6  -1.489   5.802  -5.591
   65   3HO*  U25   6          *HO3      U5P   6   2.443   8.894  -5.107
   66   1H5*  C25   7          1H5*      C5P   7   3.601   4.864  -9.262
   67   2H5*  C25   7          2H5*      C5P   7   3.377   3.598  -8.038
   68    H4*  C25   7           H4*      C5P   7   5.710   3.846  -9.137
   69    H3*  C25   7           H3*      C5P   7   4.954   3.122  -6.476
   70    H2*  C25   7           H2*      C5P   7   6.028   4.701  -5.293
   71    H1*  C25   7           H1*      C5P   7   8.008   5.475  -7.388
   72   1H4   C25   7          1HN4      C5P   7   7.444  10.795  -3.959
   73   2H4   C25   7          2HN4      C5P   7   5.758  10.475  -3.629
   74    H5   C25   7           H5       C5P   7   4.590   8.531  -4.469
   75    H6   C25   7           H6       C5P   7   4.805   6.499  -5.802
   76   3HO*  C25   7          *HO3      C5P   7   7.532   2.663  -7.531
   77   1H5*  G25   8          1H5*      5GP   8   8.698   5.324  -3.812
   78   2H5*  G25   8          2H5*      5GP   8   9.573   4.296  -2.638
   79    H4*  G25   8           H4*      5GP   8   8.770   6.467  -1.686
   80    H3*  G25   8           H3*      5GP   8   7.701   3.820  -0.769
   81    H2*  G25   8           H2*      5GP   8   6.073   4.697   0.584
   82    H1*  G25   8           H1*      5GP   8   5.335   6.896  -0.901
   83    H8   G25   8           H8       5GP   8   6.057   3.385  -2.366
   84    H1   G25   8           HN1      5GP   8  -0.119   4.743  -1.696
   85   1H2   G25   8          1HN2      5GP   8   1.011   7.669  -0.213
   86   2H2   G25   8          2HN2      5GP   8  -0.356   6.699  -0.703
   87   3HO*  G25   8          *HO3      5GP   8   9.027   5.947   0.601
   88   1H5*    G   9          1H5*        G   9   4.657   8.372   1.374
   89   2H5*    G   9          2H5*        G   9   4.918   8.698   3.112
   90    H4*    G   9           H4*        G   9   2.571   9.043   2.411
   91    H3*    G   9           H3*        G   9   3.411   7.334   4.508
   92    H1*    G   9           H1*        G   9   0.427   6.518   2.085
   93    H8     G   9           H8         G   9   3.745   4.601   1.649
   94    H1     G   9           H1         G   9  -1.466   1.453  -0.245
   95   1H2     G   9          1H2         G   9  -3.145   4.309   0.812
   96   2H2     G   9          2H2         G   9  -3.258   2.707   0.111
   97   1H2*    G   9          1H2*        G   9   2.632   5.372   3.741
   98   2H2*    G   9          2H2*        G   9   1.008   6.033   4.233
   99   1H5*    T  10          1H5*        T  10  -1.370   8.010   3.797
  100   2H5*    T  10          2H5*        T  10  -1.856   8.532   5.421
  101    H4*    T  10           H4*        T  10  -3.660   7.258   4.414
  102    H3*    T  10           H3*        T  10  -2.387   6.507   6.876
  103   1H2*    T  10          1H2*        T  10  -1.909   4.371   6.363
  104   2H2*    T  10          2H2*        T  10  -3.708   4.110   6.483
  105    H1*    T  10           H1*        T  10  -3.992   4.140   4.218
  106    H3     T  10           H3         T  10  -2.203   0.270   2.815
  107   1H5M    T  10          1H5M        T  10   2.116   1.609   3.768
  108   2H5M    T  10          2H5M        T  10   1.813   2.638   5.188
  109   3H5M    T  10          3H5M        T  10   1.952   3.369   3.574
  110    H6     T  10           H6         T  10  -0.313   4.238   4.734
  111   1H5*    C  11          1H5*        C  11  -6.572   4.653   5.619
  112   2H5*    C  11          2H5*        C  11  -7.589   4.727   7.069
  113    H4*    C  11           H4*        C  11  -8.079   2.704   5.788
  114    H3*    C  11           H3*        C  11  -7.256   2.721   8.540
  115    H1*    C  11           H1*        C  11  -6.589  -0.040   5.881
  116   1H4     C  11          1H4         C  11  -0.540  -1.917   5.668
  117   2H4     C  11          2H4         C  11   0.017  -0.443   6.444
  118    H5     C  11           H5         C  11  -1.483   1.322   7.154
  119    H6     C  11           H6         C  11  -3.834   2.020   7.283
  120   1H2*    C  11          1H2*        C  11  -5.573   1.237   8.392
  121   2H2*    C  11          2H2*        C  11  -6.899   0.014   8.135
  122   1H5*    C  12          1H5*        C  12  -9.185  -1.346   6.554
  123   2H5*    C  12          2H5*        C  12 -10.393  -1.736   7.793
  124    H4*    C  12           H4*        C  12  -9.477  -3.796   6.923
  125    H3*    C  12           H3*        C  12  -9.262  -3.045   9.689
  126    H1*    C  12           H1*        C  12  -6.789  -5.224   7.616
  127   1H4     C  12          1H4         C  12  -0.725  -3.404   8.098
  128   2H4     C  12          2H4         C  12  -1.172  -1.871   8.827
  129    H5     C  12           H5         C  12  -3.464  -1.224   9.243
  130    H6     C  12           H6         C  12  -5.804  -1.921   9.057
  131    H3T    C  12           H3T        C  12 -10.657  -4.655   8.932
  132   1H2*    C  12          1H2*        C  12  -7.067  -3.367   9.959
  133   2H2*    C  12          2H2*        C  12  -7.459  -5.144   9.804
  Start of MODEL    4
    1   1H5*    G   1          1H5*        G   1   4.340 -12.257   6.484
    2   2H5*    G   1          2H5*        G   1   4.707 -12.653   4.781
    3    H4*    G   1           H4*        G   1   2.304 -12.912   5.390
    4    H3*    G   1           H3*        G   1   3.326 -11.433   3.200
    5    H1*    G   1           H1*        G   1   0.219 -10.375   5.333
    6    H8     G   1           H8         G   1   3.456  -8.299   5.815
    7    H1     G   1           H1         G   1  -1.958  -5.367   7.436
    8   1H2     G   1          1H2         G   1  -3.466  -8.309   6.362
    9   2H2     G   1          2H2         G   1  -3.682  -6.699   7.024
   10    H5T    G   1           H5T        G   1   4.269 -10.009   5.748
   11   1H2*    G   1          1H2*        G   1   2.562  -9.364   3.775
   12   2H2*    G   1          2H2*        G   1   0.959 -10.028   3.209
   13   1H5*    G   2          1H5*        G   2  -1.695 -12.059   3.762
   14   2H5*    G   2          2H5*        G   2  -1.945 -12.686   2.110
   15    H4*    G   2           H4*        G   2  -3.883 -11.419   2.889
   16    H3*    G   2           H3*        G   2  -2.353 -10.672   0.578
   17    H1*    G   2           H1*        G   2  -4.273  -8.278   3.003
   18    H8     G   2           H8         G   2  -0.418  -8.129   2.973
   19    H1     G   2           H1         G   2  -3.255  -2.852   5.069
   20   1H2     G   2          1H2         G   2  -6.206  -4.541   4.350
   21   2H2     G   2          2H2         G   2  -5.454  -3.072   4.944
   22   1H2*    G   2          1H2*        G   2  -1.982  -8.516   1.091
   23   2H2*    G   2          2H2*        G   2  -3.766  -8.301   0.783
   24   1H5*    A   3          1H5*        A   3  -6.697  -8.718   1.293
   25   2H5*    A   3          2H5*        A   3  -7.478  -8.894  -0.290
   26    H4*    A   3           H4*        A   3  -8.157  -6.791   0.724
   27    H3*    A   3           H3*        A   3  -6.831  -6.977  -1.817
   28    H1*    A   3           H1*        A   3  -6.602  -4.049   0.763
   29    H8     A   3           H8         A   3  -3.418  -6.110   0.024
   30   1H6     A   3          1H6         A   3  -0.173  -2.978   1.635
   31   2H6     A   3          2H6         A   3  -0.284  -1.372   2.327
   32    H2     A   3           H2         A   3  -4.663  -0.348   2.495
   33   1H2*    A   3          1H2*        A   3  -5.184  -5.490  -1.447
   34   2H2*    A   3          2H2*        A   3  -6.513  -4.239  -1.513
   35   1H5*    C   4          1H5*        C   4  -8.860  -3.059  -0.485
   36   2H5*    C   4          2H5*        C   4  -9.859  -2.444  -1.813
   37    H4*    C   4           H4*        C   4  -8.848  -0.570  -0.674
   38    H3*    C   4           H3*        C   4  -8.359  -1.146  -3.452
   39    H1*    C   4           H1*        C   4  -6.129   0.681  -0.913
   40   1H4     C   4          1H4         C   4  -0.017  -0.981  -0.896
   41   2H4     C   4          2H4         C   4  -0.369  -2.559  -1.574
   42    H5     C   4           H5         C   4  -2.612  -3.291  -2.124
   43    H6     C   4           H6         C   4  -4.979  -2.636  -2.170
   44   1H2*    C   4          1H2*        C   4  -6.105  -1.057  -3.361
   45   2H2*    C   4          2H2*        C   4  -6.367   0.732  -3.190
   46   1H5*  U25   5          1H5*      U5P   5  -7.661   3.356  -1.329
   47   2H5*  U25   5          2H5*      U5P   5  -8.289   4.391  -2.627
   48    H4*  U25   5           H4*      U5P   5  -6.414   5.489  -1.498
   49    H3*  U25   5           H3*      U5P   5  -6.098   4.576  -4.335
   50    H2*  U25   5           H2*      U5P   5  -3.896   5.146  -4.460
   51    H1*  U25   5           H1*      U5P   5  -3.167   4.799  -1.775
   52    H3   U25   5           HN3      U5P   5  -0.349   1.760  -3.446
   53    H5   U25   5           H5       U5P   5  -4.072   0.475  -4.936
   54    H6   U25   5           H6       U5P   5  -5.080   2.433  -3.913
   55   3HO*  U25   5          *HO3      U5P   5  -6.196   7.106  -2.997
   56   1H5*  U25   6          1H5*      U5P   6  -1.343   7.450  -2.192
   57   2H5*  U25   6          2H5*      U5P   6  -1.093   9.040  -2.943
   58    H4*  U25   6           H4*      U5P   6   1.062   7.950  -2.514
   59    H3*  U25   6           H3*      U5P   6   0.192   8.935  -5.020
   60    H2*  U25   6           H2*      U5P   6   0.288   7.058  -6.238
   61    H1*  U25   6           H1*      U5P   6   2.352   5.686  -4.560
   62    H3   U25   6           HN3      U5P   6   1.378   1.815  -6.579
   63    H5   U25   6           H5       U5P   6  -2.323   3.818  -6.610
   64    H6   U25   6           H6       U5P   6  -1.245   5.693  -5.484
   65   3HO*  U25   6          *HO3      U5P   6   2.743   8.817  -5.163
   66   1H5*  C25   7          1H5*      C5P   7   3.967   5.172  -9.502
   67   2H5*  C25   7          2H5*      C5P   7   3.964   3.738  -8.455
   68    H4*  C25   7           H4*      C5P   7   6.207   4.425  -9.498
   69    H3*  C25   7           H3*      C5P   7   5.602   3.406  -6.897
   70    H2*  C25   7           H2*      C5P   7   6.471   5.016  -5.602
   71    H1*  C25   7           H1*      C5P   7   8.278   6.233  -7.642
   72   1H4   C25   7          1HN4      C5P   7   6.986  11.136  -3.793
   73   2H4   C25   7          2HN4      C5P   7   5.363  10.551  -3.507
   74    H5   C25   7           H5       C5P   7   4.494   8.533  -4.487
   75    H6   C25   7           H6       C5P   7   4.983   6.659  -5.973
   76   3HO*  C25   7          *HO3      C5P   7   7.478   2.281  -7.279
   77   1H5*  G25   8          1H5*      5GP   8   9.096   5.620  -4.035
   78   2H5*  G25   8          2H5*      5GP   8  10.040   4.587  -2.924
   79    H4*  G25   8           H4*      5GP   8   8.928   6.542  -1.835
   80    H3*  G25   8           H3*      5GP   8   8.161   3.722  -1.159
   81    H2*  G25   8           H2*      5GP   8   6.469   4.344   0.275
   82    H1*  G25   8           H1*      5GP   8   5.525   6.557  -1.073
   83    H8   G25   8           H8       5GP   8   6.477   3.174  -2.727
   84    H1   G25   8           HN1      5GP   8   0.241   4.108  -1.876
   85   1H2   G25   8          1HN2      5GP   8   1.212   7.045  -0.326
   86   2H2   G25   8          2HN2      5GP   8  -0.101   5.999  -0.820
   87   3HO*  G25   8          *HO3      5GP   8   9.247   5.821   0.435
   88   1H5*    G   9          1H5*        G   9   4.647   8.195   0.889
   89   2H5*    G   9          2H5*        G   9   5.014   8.479   2.614
   90    H4*    G   9           H4*        G   9   2.628   8.914   1.946
   91    H3*    G   9           H3*        G   9   3.512   7.407   4.151
   92    H1*    G   9           H1*        G   9   0.447   6.358   1.957
   93    H8     G   9           H8         G   9   3.734   4.379   1.557
   94    H1     G   9           H1         G   9  -1.555   1.301  -0.245
   95   1H2     G   9          1H2         G   9  -3.160   4.231   0.731
   96   2H2     G   9          2H2         G   9  -3.316   2.611   0.076
   97   1H2*    G   9          1H2*        G   9   2.790   5.361   3.521
   98   2H2*    G   9          2H2*        G   9   1.174   5.992   4.086
   99   1H5*    T  10          1H5*        T  10  -1.504   7.999   3.289
  100   2H5*    T  10          2H5*        T  10  -1.851   8.614   4.916
  101    H4*    T  10           H4*        T  10  -3.727   7.273   4.114
  102    H3*    T  10           H3*        T  10  -2.287   6.750   6.537
  103   1H2*    T  10          1H2*        T  10  -1.780   4.591   6.168
  104   2H2*    T  10          2H2*        T  10  -3.556   4.301   6.449
  105    H1*    T  10           H1*        T  10  -4.010   4.127   4.218
  106    H3     T  10           H3         T  10  -2.246   0.250   2.836
  107   1H5M    T  10          1H5M        T  10   2.094   1.593   3.664
  108   2H5M    T  10          2H5M        T  10   1.809   2.570   5.125
  109   3H5M    T  10          3H5M        T  10   1.939   3.360   3.538
  110    H6     T  10           H6         T  10  -0.303   4.261   4.616
  111   1H5*    C  11          1H5*        C  11  -6.544   4.809   5.623
  112   2H5*    C  11          2H5*        C  11  -7.474   4.952   7.126
  113    H4*    C  11           H4*        C  11  -8.059   2.884   5.971
  114    H3*    C  11           H3*        C  11  -7.041   3.003   8.655
  115    H1*    C  11           H1*        C  11  -6.589   0.133   6.066
  116   1H4     C  11          1H4         C  11  -0.592  -1.854   5.573
  117   2H4     C  11          2H4         C  11   0.031  -0.362   6.257
  118    H5     C  11           H5         C  11  -1.395   1.461   6.971
  119    H6     C  11           H6         C  11  -3.723   2.205   7.203
  120   1H2*    C  11          1H2*        C  11  -5.389   1.493   8.451
  121   2H2*    C  11          2H2*        C  11  -6.740   0.275   8.335
  122   1H5*    C  12          1H5*        C  12  -9.138  -1.087   7.014
  123   2H5*    C  12          2H5*        C  12 -10.274  -1.411   8.337
  124    H4*    C  12           H4*        C  12  -9.439  -3.516   7.490
  125    H3*    C  12           H3*        C  12  -9.046  -2.666  10.209
  126    H1*    C  12           H1*        C  12  -6.750  -4.965   8.070
  127   1H4     C  12          1H4         C  12  -0.628  -3.287   8.134
  128   2H4     C  12          2H4         C  12  -0.996  -1.716   8.823
  129    H5     C  12           H5         C  12  -3.243  -0.994   9.344
  130    H6     C  12           H6         C  12  -5.608  -1.635   9.318
  131    H3T    C  12           H3T        C  12 -10.514  -4.278   9.551
  132   1H2*    C  12          1H2*        C  12  -6.845  -3.022  10.358
  133   2H2*    C  12          2H2*        C  12  -7.278  -4.796  10.294
  Start of MODEL    5
    1   1H5*    G   1          1H5*        G   1   5.082 -11.437   5.482
    2   2H5*    G   1          2H5*        G   1   5.460 -11.714   3.758
    3    H4*    G   1           H4*        G   1   3.063 -12.069   4.349
    4    H3*    G   1           H3*        G   1   4.049 -10.448   2.248
    5    H1*    G   1           H1*        G   1   0.920  -9.596   4.423
    6    H8     G   1           H8         G   1   4.032  -7.319   4.850
    7    H1     G   1           H1         G   1  -1.418  -5.015   7.201
    8   1H2     G   1          1H2         G   1  -2.765  -8.021   6.085
    9   2H2     G   1          2H2         G   1  -3.052  -6.479   6.871
   10    H5T    G   1           H5T        G   1   4.966  -9.151   4.903
   11   1H2*    G   1          1H2*        G   1   3.259  -8.429   2.966
   12   2H2*    G   1          2H2*        G   1   1.675  -9.069   2.333
   13   1H5*    G   2          1H5*        G   2  -0.802 -11.593   3.048
   14   2H5*    G   2          2H5*        G   2  -1.195 -12.062   1.372
   15    H4*    G   2           H4*        G   2  -3.142 -11.177   2.600
   16    H3*    G   2           H3*        G   2  -2.147 -10.095   0.142
   17    H1*    G   2           H1*        G   2  -3.881  -8.087   3.028
   18    H8     G   2           H8         G   2  -0.108  -7.560   2.466
   19    H1     G   2           H1         G   2  -3.074  -2.649   5.175
   20   1H2     G   2          1H2         G   2  -5.943  -4.560   4.742
   21   2H2     G   2          2H2         G   2  -5.243  -3.057   5.310
   22   1H2*    G   2          1H2*        G   2  -1.942  -7.942   0.756
   23   2H2*    G   2          2H2*        G   2  -3.767  -7.938   0.760
   24   1H5*    A   3          1H5*        A   3  -6.549  -8.492   1.473
   25   2H5*    A   3          2H5*        A   3  -7.449  -8.734  -0.037
   26    H4*    A   3           H4*        A   3  -8.141  -6.637   0.945
   27    H3*    A   3           H3*        A   3  -6.918  -6.810  -1.646
   28    H1*    A   3           H1*        A   3  -6.683  -3.839   0.885
   29    H8     A   3           H8         A   3  -3.451  -5.744  -0.074
   30   1H6     A   3          1H6         A   3  -0.264  -2.603   1.662
   31   2H6     A   3          2H6         A   3  -0.415  -1.054   2.467
   32    H2     A   3           H2         A   3  -4.816  -0.210   2.824
   33   1H2*    A   3          1H2*        A   3  -5.310  -5.259  -1.368
   34   2H2*    A   3          2H2*        A   3  -6.688  -4.061  -1.386
   35   1H5*    C   4          1H5*        C   4  -9.262  -2.726  -0.664
   36   2H5*    C   4          2H5*        C   4 -10.119  -2.344  -2.170
   37    H4*    C   4           H4*        C   4  -9.186  -0.310  -1.231
   38    H3*    C   4           H3*        C   4  -8.505  -1.290  -3.853
   39    H1*    C   4           H1*        C   4  -6.376   0.845  -1.429
   40   1H4     C   4          1H4         C   4  -0.421  -1.105  -0.483
   41   2H4     C   4          2H4         C   4  -0.751  -2.695  -1.152
   42    H5     C   4           H5         C   4  -2.929  -3.345  -1.985
   43    H6     C   4           H6         C   4  -5.234  -2.604  -2.353
   44   1H2*    C   4          1H2*        C   4  -6.259  -1.197  -3.631
   45   2H2*    C   4          2H2*        C   4  -6.500   0.602  -3.702
   46   1H5*  U25   5          1H5*      U5P   5  -8.167   3.440  -2.488
   47   2H5*  U25   5          2H5*      U5P   5  -8.487   4.361  -3.971
   48    H4*  U25   5           H4*      U5P   5  -6.813   5.500  -2.590
   49    H3*  U25   5           H3*      U5P   5  -5.951   4.321  -5.216
   50    H2*  U25   5           H2*      U5P   5  -3.776   4.960  -4.930
   51    H1*  U25   5           H1*      U5P   5  -3.641   4.805  -2.132
   52    H3   U25   5           HN3      U5P   5  -0.446   1.823  -3.138
   53    H5   U25   5           H5       U5P   5  -3.844   0.224  -5.032
   54    H6   U25   5           H6       U5P   5  -5.072   2.203  -4.347
   55   3HO*  U25   5          *HO3      U5P   5  -5.857   6.655  -5.630
   56   1H5*  U25   6          1H5*      U5P   6  -1.669   7.372  -2.610
   57   2H5*  U25   6          2H5*      U5P   6  -1.307   8.935  -3.371
   58    H4*  U25   6           H4*      U5P   6   0.777   7.870  -2.719
   59    H3*  U25   6           H3*      U5P   6   0.143   8.647  -5.368
   60    H2*  U25   6           H2*      U5P   6   0.340   6.680  -6.406
   61    H1*  U25   6           H1*      U5P   6   2.241   5.473  -4.433
   62    H3   U25   6           HN3      U5P   6   1.516   1.435  -6.211
   63    H5   U25   6           H5       U5P   6  -2.163   3.376  -6.837
   64    H6   U25   6           H6       U5P   6  -1.235   5.350  -5.743
   65   3HO*  U25   6          *HO3      U5P   6   2.708   8.502  -5.242
   66   1H5*  C25   7          1H5*      C5P   7   3.985   4.386  -9.241
   67   2H5*  C25   7          2H5*      C5P   7   3.860   3.095  -8.027
   68    H4*  C25   7           H4*      C5P   7   6.167   3.494  -9.093
   69    H3*  C25   7           H3*      C5P   7   5.446   2.823  -6.413
   70    H2*  C25   7           H2*      C5P   7   6.370   4.530  -5.286
   71    H1*  C25   7           H1*      C5P   7   8.306   5.396  -7.382
   72   1H4   C25   7          1HN4      C5P   7   7.140  10.774  -4.183
   73   2H4   C25   7          2HN4      C5P   7   5.474  10.315  -3.912
   74    H5   C25   7           H5       C5P   7   4.530   8.237  -4.695
   75    H6   C25   7           H6       C5P   7   4.979   6.183  -5.931
   76   3HO*  C25   7          *HO3      C5P   7   7.293   1.583  -6.588
   77   1H5*  G25   8          1H5*      5GP   8   8.806   5.277  -3.700
   78   2H5*  G25   8          2H5*      5GP   8   9.750   4.346  -2.501
   79    H4*  G25   8           H4*      5GP   8   8.656   6.381  -1.567
   80    H3*  G25   8           H3*      5GP   8   7.849   3.627  -0.704
   81    H2*  G25   8           H2*      5GP   8   6.114   4.331   0.615
   82    H1*  G25   8           H1*      5GP   8   5.239   6.499  -0.861
   83    H8   G25   8           H8       5GP   8   6.159   2.980  -2.215
   84    H1   G25   8           HN1      5GP   8  -0.079   4.148  -1.767
   85   1H2   G25   8          1HN2      5GP   8   0.901   7.172  -0.399
   86   2H2   G25   8          2HN2      5GP   8  -0.415   6.125  -0.880
   87   3HO*  G25   8          *HO3      5GP   8   8.928   5.854   0.720
   88   1H5*    G   9          1H5*        G   9   4.184   8.084   0.905
   89   2H5*    G   9          2H5*        G   9   4.571   8.519   2.595
   90    H4*    G   9           H4*        G   9   2.183   8.879   1.981
   91    H3*    G   9           H3*        G   9   3.124   7.420   4.212
   92    H1*    G   9           H1*        G   9  -0.012   6.377   2.102
   93    H8     G   9           H8         G   9   3.192   4.218   1.933
   94    H1     G   9           H1         G   9  -2.102   1.366  -0.170
   95   1H2     G   9          1H2         G   9  -3.627   4.406   0.554
   96   2H2     G   9          2H2         G   9  -3.810   2.769  -0.044
   97   1H2*    G   9          1H2*        G   9   2.311   5.384   3.698
   98   2H2*    G   9          2H2*        G   9   0.725   6.097   4.241
   99   1H5*    T  10          1H5*        T  10  -1.667   8.097   3.790
  100   2H5*    T  10          2H5*        T  10  -2.107   8.703   5.398
  101    H4*    T  10           H4*        T  10  -3.898   7.300   4.543
  102    H3*    T  10           H3*        T  10  -2.509   6.763   6.998
  103   1H2*    T  10          1H2*        T  10  -1.964   4.616   6.607
  104   2H2*    T  10          2H2*        T  10  -3.748   4.298   6.819
  105    H1*    T  10           H1*        T  10  -4.122   4.176   4.570
  106    H3     T  10           H3         T  10  -2.261   0.366   3.130
  107   1H5M    T  10          1H5M        T  10   2.021   1.709   4.214
  108   2H5M    T  10          2H5M        T  10   1.675   2.764   5.605
  109   3H5M    T  10          3H5M        T  10   1.864   3.464   3.984
  110    H6     T  10           H6         T  10  -0.440   4.333   5.109
  111   1H5*    C  11          1H5*        C  11  -6.722   4.592   6.150
  112   2H5*    C  11          2H5*        C  11  -7.582   4.689   7.699
  113    H4*    C  11           H4*        C  11  -8.026   2.542   6.652
  114    H3*    C  11           H3*        C  11  -6.813   2.815   9.247
  115    H1*    C  11           H1*        C  11  -6.311  -0.039   6.653
  116   1H4     C  11          1H4         C  11  -0.241  -1.471   5.514
  117   2H4     C  11          2H4         C  11   0.326   0.013   6.261
  118    H5     C  11           H5         C  11  -1.169   1.657   7.227
  119    H6     C  11           H6         C  11  -3.514   2.214   7.674
  120   1H2*    C  11          1H2*        C  11  -5.057   1.450   8.935
  121   2H2*    C  11          2H2*        C  11  -6.294   0.115   8.925
  122   1H5*    C  12          1H5*        C  12  -8.819  -1.279   7.716
  123   2H5*    C  12          2H5*        C  12  -9.814  -1.792   9.092
  124    H4*    C  12           H4*        C  12  -8.944  -3.747   7.942
  125    H3*    C  12           H3*        C  12  -8.443  -3.183  10.714
  126    H1*    C  12           H1*        C  12  -6.120  -5.073   8.223
  127   1H4     C  12          1H4         C  12  -0.169  -2.908   8.025
  128   2H4     C  12          2H4         C  12  -0.581  -1.475   8.949
  129    H5     C  12           H5         C  12  -2.821  -1.010   9.739
  130    H6     C  12           H6         C  12  -5.127  -1.835   9.812
  131    H3T    C  12           H3T        C  12  -8.579  -5.636   9.247
  132   1H2*    C  12          1H2*        C  12  -6.216  -3.393  10.710
  133   2H2*    C  12          2H2*        C  12  -6.536  -5.175  10.471
  Start of MODEL    6
    1   1H5*    G   1          1H5*        G   1   5.026 -11.479   6.085
    2   2H5*    G   1          2H5*        G   1   5.537 -11.754   4.396
    3    H4*    G   1           H4*        G   1   3.105 -12.137   4.812
    4    H3*    G   1           H3*        G   1   4.231 -10.497   2.786
    5    H1*    G   1           H1*        G   1   0.920  -9.716   4.714
    6    H8     G   1           H8         G   1   3.978  -7.473   5.525
    7    H1     G   1           H1         G   1  -1.715  -5.002   6.946
    8   1H2     G   1          1H2         G   1  -2.948  -7.955   5.589
    9   2H2     G   1          2H2         G   1  -3.313  -6.409   6.333
   10    H5T    G   1           H5T        G   1   4.920  -9.195   5.486
   11   1H2*    G   1          1H2*        G   1   3.306  -8.503   3.383
   12   2H2*    G   1          2H2*        G   1   1.790  -9.225   2.670
   13   1H5*    G   2          1H5*        G   2  -0.721 -11.443   2.924
   14   2H5*    G   2          2H5*        G   2  -0.882 -11.952   1.222
   15    H4*    G   2           H4*        G   2  -2.902 -10.831   2.046
   16    H3*    G   2           H3*        G   2  -1.365  -9.891  -0.189
   17    H1*    G   2           H1*        G   2  -3.439  -7.722   2.320
   18    H8     G   2           H8         G   2   0.402  -7.362   2.325
   19    H1     G   2           H1         G   2  -2.706  -2.425   4.824
   20   1H2     G   2          1H2         G   2  -5.568  -4.185   3.957
   21   2H2     G   2          2H2         G   2  -4.885  -2.736   4.668
   22   1H2*    G   2          1H2*        G   2  -1.102  -7.752   0.450
   23   2H2*    G   2          2H2*        G   2  -2.886  -7.599   0.114
   24   1H5*    A   3          1H5*        A   3  -5.806  -8.416   0.663
   25   2H5*    A   3          2H5*        A   3  -6.645  -8.522  -0.896
   26    H4*    A   3           H4*        A   3  -7.496  -6.633   0.408
   27    H3*    A   3           H3*        A   3  -6.428  -6.444  -2.237
   28    H1*    A   3           H1*        A   3  -6.198  -3.703   0.558
   29    H8     A   3           H8         A   3  -2.947  -5.404  -0.672
   30   1H6     A   3          1H6         A   3   0.214  -2.377   1.293
   31   2H6     A   3          2H6         A   3   0.054  -0.893   2.211
   32    H2     A   3           H2         A   3  -4.355  -0.145   2.671
   33   1H2*    A   3          1H2*        A   3  -4.886  -4.836  -1.883
   34   2H2*    A   3          2H2*        A   3  -6.328  -3.731  -1.717
   35   1H5*    C   4          1H5*        C   4  -9.042  -2.845  -0.465
   36   2H5*    C   4          2H5*        C   4 -10.086  -2.285  -1.787
   37    H4*    C   4           H4*        C   4  -9.295  -0.374  -0.493
   38    H3*    C   4           H3*        C   4  -8.840  -0.698  -3.313
   39    H1*    C   4           H1*        C   4  -6.612   1.135  -0.725
   40   1H4     C   4          1H4         C   4  -0.449  -0.352  -0.843
   41   2H4     C   4          2H4         C   4  -0.739  -1.768  -1.837
   42    H5     C   4           H5         C   4  -2.937  -2.453  -2.554
   43    H6     C   4           H6         C   4  -5.316  -1.901  -2.505
   44   1H2*    C   4          1H2*        C   4  -6.610  -0.406  -3.302
   45   2H2*    C   4          2H2*        C   4  -7.010   1.338  -2.967
   46   1H5*  U25   5          1H5*      U5P   5  -8.260   3.796  -1.365
   47   2H5*  U25   5          2H5*      U5P   5  -8.788   4.875  -2.671
   48    H4*  U25   5           H4*      U5P   5  -6.783   5.783  -1.647
   49    H3*  U25   5           H3*      U5P   5  -6.490   4.628  -4.408
   50    H2*  U25   5           H2*      U5P   5  -4.261   5.091  -4.477
   51    H1*  U25   5           H1*      U5P   5  -3.724   4.959  -1.700
   52    H3   U25   5           HN3      U5P   5  -0.765   1.809  -2.855
   53    H5   U25   5           H5       U5P   5  -4.260   0.537  -4.816
   54    H6   U25   5           H6       U5P   5  -5.369   2.532  -3.990
   55   3HO*  U25   5          *HO3      U5P   5  -6.357   6.927  -4.827
   56   1H5*  U25   6          1H5*      U5P   6  -1.819   7.567  -2.411
   57   2H5*  U25   6          2H5*      U5P   6  -1.360   9.036  -3.297
   58    H4*  U25   6           H4*      U5P   6   0.638   7.780  -2.670
   59    H3*  U25   6           H3*      U5P   6  -0.040   8.551  -5.311
   60    H2*  U25   6           H2*      U5P   6  -0.085   6.553  -6.305
   61    H1*  U25   6           H1*      U5P   6   1.760   5.195  -4.377
   62    H3   U25   6           HN3      U5P   6   0.524   1.214  -5.999
   63    H5   U25   6           H5       U5P   6  -2.923   3.546  -6.603
   64    H6   U25   6           H6       U5P   6  -1.757   5.424  -5.574
   65   3HO*  U25   6          *HO3      U5P   6   2.447   8.295  -5.388
   66   1H5*  C25   7          1H5*      C5P   7   3.539   4.053  -9.233
   67   2H5*  C25   7          2H5*      C5P   7   3.318   2.708  -8.095
   68    H4*  C25   7           H4*      C5P   7   5.681   3.051  -9.001
   69    H3*  C25   7           H3*      C5P   7   4.809   2.392  -6.364
   70    H2*  C25   7           H2*      C5P   7   5.739   4.057  -5.184
   71    H1*  C25   7           H1*      C5P   7   7.810   4.840  -7.185
   72   1H4   C25   7          1HN4      C5P   7   6.793  10.258  -4.006
   73   2H4   C25   7          2HN4      C5P   7   5.091   9.898  -3.832
   74    H5   C25   7           H5       C5P   7   4.072   7.890  -4.690
   75    H6   C25   7           H6       C5P   7   4.467   5.803  -5.895
   76   3HO*  C25   7          *HO3      C5P   7   6.020   1.016  -7.700
   77   1H5*  G25   8          1H5*      5GP   8   8.686   4.450  -3.703
   78   2H5*  G25   8          2H5*      5GP   8   9.456   3.558  -2.358
   79    H4*  G25   8           H4*      5GP   8   8.669   5.858  -1.758
   80    H3*  G25   8           H3*      5GP   8   7.474   3.395  -0.531
   81    H2*  G25   8           H2*      5GP   8   5.857   4.531   0.639
   82    H1*  G25   8           H1*      5GP   8   5.260   6.507  -1.169
   83    H8   G25   8           H8       5GP   8   5.821   2.857  -2.264
   84    H1   G25   8           HN1      5GP   8  -0.280   4.444  -1.423
   85   1H2   G25   8          1HN2      5GP   8   1.002   7.437  -0.212
   86   2H2   G25   8          2HN2      5GP   8  -0.415   6.475  -0.563
   87   3HO*  G25   8          *HO3      5GP   8   8.854   5.638   0.576
   88   1H5*    G   9          1H5*        G   9   4.438   8.233   1.155
   89   2H5*    G   9          2H5*        G   9   4.867   8.724   2.819
   90    H4*    G   9           H4*        G   9   2.460   8.958   2.375
   91    H3*    G   9           H3*        G   9   3.560   7.392   4.466
   92    H1*    G   9           H1*        G   9   0.340   6.425   2.447
   93    H8     G   9           H8         G   9   3.570   4.371   1.944
   94    H1     G   9           H1         G   9  -1.798   1.439   0.174
   95   1H2     G   9          1H2         G   9  -3.352   4.366   1.209
   96   2H2     G   9          2H2         G   9  -3.534   2.762   0.530
   97   1H2*    G   9          1H2*        G   9   2.730   5.379   3.901
   98   2H2*    G   9          2H2*        G   9   1.162   6.050   4.540
   99   1H5*    T  10          1H5*        T  10  -1.191   8.128   4.206
  100   2H5*    T  10          2H5*        T  10  -1.619   8.643   5.849
  101    H4*    T  10           H4*        T  10  -3.439   7.338   4.885
  102    H3*    T  10           H3*        T  10  -2.099   6.661   7.331
  103   1H2*    T  10          1H2*        T  10  -1.586   4.524   6.849
  104   2H2*    T  10          2H2*        T  10  -3.376   4.227   7.022
  105    H1*    T  10           H1*        T  10  -3.720   4.209   4.765
  106    H3     T  10           H3         T  10  -1.896   0.452   3.137
  107   1H5M    T  10          1H5M        T  10   2.274   3.404   4.172
  108   2H5M    T  10          2H5M        T  10   2.387   1.643   4.387
  109   3H5M    T  10          3H5M        T  10   2.047   2.692   5.784
  110    H6     T  10           H6         T  10  -0.037   4.274   5.363
  111   1H5*    C  11          1H5*        C  11  -6.288   4.921   6.141
  112   2H5*    C  11          2H5*        C  11  -7.338   4.898   7.572
  113    H4*    C  11           H4*        C  11  -7.798   2.966   6.147
  114    H3*    C  11           H3*        C  11  -7.038   2.795   8.910
  115    H1*    C  11           H1*        C  11  -6.282   0.227   6.089
  116   1H4     C  11          1H4         C  11  -0.195  -1.520   5.751
  117   2H4     C  11          2H4         C  11   0.319  -0.181   6.763
  118    H5     C  11           H5         C  11  -1.218   1.453   7.674
  119    H6     C  11           H6         C  11  -3.573   2.128   7.813
  120   1H2*    C  11          1H2*        C  11  -5.342   1.333   8.707
  121   2H2*    C  11          2H2*        C  11  -6.647   0.123   8.324
  122   1H5*    C  12          1H5*        C  12  -8.944  -1.052   6.605
  123   2H5*    C  12          2H5*        C  12 -10.172  -1.584   7.771
  124    H4*    C  12           H4*        C  12  -9.203  -3.523   6.679
  125    H3*    C  12           H3*        C  12  -9.128  -3.108   9.519
  126    H1*    C  12           H1*        C  12  -6.500  -4.979   7.335
  127   1H4     C  12          1H4         C  12  -0.522  -3.041   8.173
  128   2H4     C  12          2H4         C  12  -1.029  -1.653   9.119
  129    H5     C  12           H5         C  12  -3.347  -1.146   9.586
  130    H6     C  12           H6         C  12  -5.658  -1.876   9.253
  131    H3T    C  12           H3T        C  12  -9.129  -5.470   7.904
  132   1H2*    C  12          1H2*        C  12  -6.937  -3.408   9.855
  133   2H2*    C  12          2H2*        C  12  -7.273  -5.162   9.480
  Start of MODEL    7
    1   1H5*    G   1          1H5*        G   1   5.243 -11.254   5.117
    2   2H5*    G   1          2H5*        G   1   5.626 -11.468   3.385
    3    H4*    G   1           H4*        G   1   3.232 -11.872   3.965
    4    H3*    G   1           H3*        G   1   4.199 -10.184   1.912
    5    H1*    G   1           H1*        G   1   1.069  -9.406   4.114
    6    H8     G   1           H8         G   1   4.174  -7.130   4.595
    7    H1     G   1           H1         G   1  -1.269  -4.922   7.052
    8   1H2     G   1          1H2         G   1  -2.610  -7.903   5.867
    9   2H2     G   1          2H2         G   1  -2.897  -6.384   6.697
   10    H5T    G   1           H5T        G   1   5.107  -8.955   4.627
   11   1H2*    G   1          1H2*        G   1   3.408  -8.191   2.697
   12   2H2*    G   1          2H2*        G   1   1.825  -8.812   2.042
   13   1H5*    G   2          1H5*        G   2  -0.642 -11.377   2.675
   14   2H5*    G   2          2H5*        G   2  -1.044 -11.786   0.985
   15    H4*    G   2           H4*        G   2  -2.986 -10.951   2.254
   16    H3*    G   2           H3*        G   2  -2.002  -9.770  -0.165
   17    H1*    G   2           H1*        G   2  -3.730  -7.883   2.806
   18    H8     G   2           H8         G   2   0.036  -7.316   2.233
   19    H1     G   2           H1         G   2  -2.936  -2.499   5.101
   20   1H2     G   2          1H2         G   2  -5.795  -4.424   4.655
   21   2H2     G   2          2H2         G   2  -5.100  -2.930   5.254
   22   1H2*    G   2          1H2*        G   2  -1.808  -7.642   0.528
   23   2H2*    G   2          2H2*        G   2  -3.632  -7.651   0.547
   24   1H5*    A   3          1H5*        A   3  -6.354  -8.305   1.346
   25   2H5*    A   3          2H5*        A   3  -7.320  -8.510  -0.128
   26    H4*    A   3           H4*        A   3  -8.046  -6.499   1.009
   27    H3*    A   3           H3*        A   3  -6.992  -6.496  -1.656
   28    H1*    A   3           H1*        A   3  -6.685  -3.630   0.991
   29    H8     A   3           H8         A   3  -3.470  -5.438  -0.179
   30   1H6     A   3          1H6         A   3  -0.257  -2.294   1.516
   31   2H6     A   3          2H6         A   3  -0.400  -0.759   2.347
   32    H2     A   3           H2         A   3  -4.796   0.022   2.862
   33   1H2*    A   3          1H2*        A   3  -5.417  -4.904  -1.404
   34   2H2*    A   3          2H2*        A   3  -6.832  -3.756  -1.281
   35   1H5*    C   4          1H5*        C   4  -9.285  -2.500  -0.369
   36   2H5*    C   4          2H5*        C   4 -10.263  -2.078  -1.788
   37    H4*    C   4           H4*        C   4  -9.253  -0.064  -0.919
   38    H3*    C   4           H3*        C   4  -8.719  -1.038  -3.578
   39    H1*    C   4           H1*        C   4  -6.475   1.085  -1.264
   40   1H4     C   4          1H4         C   4  -0.460  -0.809  -0.590
   41   2H4     C   4          2H4         C   4  -0.802  -2.394  -1.264
   42    H5     C   4           H5         C   4  -3.009  -3.060  -2.013
   43    H6     C   4           H6         C   4  -5.337  -2.344  -2.273
   44   1H2*    C   4          1H2*        C   4  -6.470  -0.957  -3.469
   45   2H2*    C   4          2H2*        C   4  -6.701   0.845  -3.532
   46   1H5*  U25   5          1H5*      U5P   5  -8.272   3.835  -2.427
   47   2H5*  U25   5          2H5*      U5P   5  -8.700   4.603  -3.969
   48    H4*  U25   5           H4*      U5P   5  -6.915   5.862  -2.882
   49    H3*  U25   5           H3*      U5P   5  -6.275   4.336  -5.386
   50    H2*  U25   5           H2*      U5P   5  -4.064   4.874  -5.331
   51    H1*  U25   5           H1*      U5P   5  -3.719   5.121  -2.554
   52    H3   U25   5           HN3      U5P   5  -0.771   1.802  -3.140
   53    H5   U25   5           H5       U5P   5  -4.238   0.285  -4.978
   54    H6   U25   5           H6       U5P   5  -5.340   2.387  -4.487
   55   3HO*  U25   5          *HO3      U5P   5  -7.573   6.231  -5.457
   56   1H5*  U25   6          1H5*      U5P   6  -1.931   7.544  -3.199
   57   2H5*  U25   6          2H5*      U5P   6  -1.442   8.977  -4.130
   58    H4*  U25   6           H4*      U5P   6   0.516   7.948  -3.080
   59    H3*  U25   6           H3*      U5P   6   0.233   8.491  -5.837
   60    H2*  U25   6           H2*      U5P   6   0.432   6.425  -6.675
   61    H1*  U25   6           H1*      U5P   6   2.053   5.308  -4.422
   62    H3   U25   6           HN3      U5P   6   1.233   1.182  -5.952
   63    H5   U25   6           H5       U5P   6  -2.254   3.269  -7.040
   64    H6   U25   6           H6       U5P   6  -1.297   5.268  -6.025
   65   3HO*  U25   6          *HO3      U5P   6   2.775   8.175  -5.351
   66   1H5*  C25   7          1H5*      C5P   7   4.320   3.882  -8.987
   67   2H5*  C25   7          2H5*      C5P   7   3.831   2.620  -7.839
   68    H4*  C25   7           H4*      C5P   7   6.322   2.756  -8.443
   69    H3*  C25   7           H3*      C5P   7   5.051   2.206  -5.942
   70    H2*  C25   7           H2*      C5P   7   5.977   3.786  -4.644
   71    H1*  C25   7           H1*      C5P   7   8.337   4.372  -6.374
   72   1H4   C25   7          1HN4      C5P   7   7.414   9.858  -3.300
   73   2H4   C25   7          2HN4      C5P   7   5.678   9.699  -3.418
   74    H5   C25   7           H5       C5P   7   4.591   7.811  -4.470
   75    H6   C25   7           H6       C5P   7   4.955   5.672  -5.605
   76   3HO*  C25   7          *HO3      C5P   7   7.745   1.588  -6.590
   77   1H5*  G25   8          1H5*      5GP   8   8.813   3.894  -2.893
   78   2H5*  G25   8          2H5*      5GP   8   9.354   3.020  -1.428
   79    H4*  G25   8           H4*      5GP   8   8.677   5.386  -1.009
   80    H3*  G25   8           H3*      5GP   8   7.135   3.074   0.122
   81    H2*  G25   8           H2*      5GP   8   5.488   4.383   1.044
   82    H1*  G25   8           H1*      5GP   8   5.274   6.306  -0.895
   83    H8   G25   8           H8       5GP   8   5.699   2.571  -1.749
   84    H1   G25   8           HN1      5GP   8  -0.333   4.589  -1.832
   85   1H2   G25   8          1HN2      5GP   8   0.988   7.569  -0.619
   86   2H2   G25   8          2HN2      5GP   8  -0.433   6.677  -1.108
   87   3HO*  G25   8          *HO3      5GP   8   8.594   5.238   1.289
   88   1H5*    G   9          1H5*        G   9   4.383   8.113   1.159
   89   2H5*    G   9          2H5*        G   9   4.601   8.728   2.824
   90    H4*    G   9           H4*        G   9   2.309   9.082   2.034
   91    H3*    G   9           H3*        G   9   2.982   7.602   4.342
   92    H1*    G   9           H1*        G   9   0.045   6.638   1.934
   93    H8     G   9           H8         G   9   3.239   4.465   1.916
   94    H1     G   9           H1         G   9  -2.043   1.565  -0.169
   95   1H2     G   9          1H2         G   9  -3.560   4.623   0.495
   96   2H2     G   9          2H2         G   9  -3.747   2.976  -0.077
   97   1H2*    G   9          1H2*        G   9   2.175   5.596   3.749
   98   2H2*    G   9          2H2*        G   9   0.560   6.340   4.136
   99   1H5*    T  10          1H5*        T  10  -1.866   8.197   3.626
  100   2H5*    T  10          2H5*        T  10  -2.287   8.842   5.225
  101    H4*    T  10           H4*        T  10  -4.051   7.353   4.475
  102    H3*    T  10           H3*        T  10  -2.562   6.947   6.893
  103   1H2*    T  10          1H2*        T  10  -1.920   4.820   6.541
  104   2H2*    T  10          2H2*        T  10  -3.675   4.417   6.827
  105    H1*    T  10           H1*        T  10  -4.120   4.203   4.600
  106    H3     T  10           H3         T  10  -2.106   0.528   3.052
  107   1H5M    T  10          1H5M        T  10   1.732   3.097   5.546
  108   2H5M    T  10          2H5M        T  10   1.913   3.721   3.895
  109   3H5M    T  10          3H5M        T  10   2.116   1.987   4.209
  110    H6     T  10           H6         T  10  -0.434   4.525   5.094
  111   1H5*    C  11          1H5*        C  11  -6.728   4.651   6.224
  112   2H5*    C  11          2H5*        C  11  -7.550   4.718   7.794
  113    H4*    C  11           H4*        C  11  -7.965   2.568   6.740
  114    H3*    C  11           H3*        C  11  -6.706   2.856   9.312
  115    H1*    C  11           H1*        C  11  -6.200   0.029   6.693
  116   1H4     C  11          1H4         C  11  -0.133  -1.293   5.422
  117   2H4     C  11          2H4         C  11   0.427   0.195   6.167
  118    H5     C  11           H5         C  11  -1.076   1.812   7.174
  119    H6     C  11           H6         C  11  -3.422   2.326   7.674
  120   1H2*    C  11          1H2*        C  11  -4.930   1.527   8.959
  121   2H2*    C  11          2H2*        C  11  -6.142   0.169   8.964
  122   1H5*    C  12          1H5*        C  12  -8.690  -1.239   7.766
  123   2H5*    C  12          2H5*        C  12  -9.648  -1.791   9.153
  124    H4*    C  12           H4*        C  12  -8.789  -3.712   7.936
  125    H3*    C  12           H3*        C  12  -8.234  -3.210  10.709
  126    H1*    C  12           H1*        C  12  -5.945  -5.019   8.126
  127   1H4     C  12          1H4         C  12  -0.018  -2.784   7.876
  128   2H4     C  12          2H4         C  12  -0.437  -1.366   8.819
  129    H5     C  12           H5         C  12  -2.668  -0.942   9.651
  130    H6     C  12           H6         C  12  -4.962  -1.797   9.748
  131    H3T    C  12           H3T        C  12  -8.400  -5.614   9.166
  132   1H2*    C  12          1H2*        C  12  -6.004  -3.397  10.651
  133   2H2*    C  12          2H2*        C  12  -6.312  -5.175  10.380
  Start of MODEL    8
    1   1H5*    G   1          1H5*        G   1   4.739 -11.893   6.759
    2   2H5*    G   1          2H5*        G   1   5.157 -12.279   5.065
    3    H4*    G   1           H4*        G   1   2.746 -12.592   5.615
    4    H3*    G   1           H3*        G   1   3.792 -11.076   3.457
    5    H1*    G   1           H1*        G   1   0.601 -10.119   5.512
    6    H8     G   1           H8         G   1   3.763  -7.967   6.115
    7    H1     G   1           H1         G   1  -1.784  -5.145   7.456
    8   1H2     G   1          1H2         G   1  -3.176  -8.118   6.318
    9   2H2     G   1          2H2         G   1  -3.457  -6.512   6.963
   10    H5T    G   1           H5T        G   1   4.626  -9.645   6.005
   11   1H2*    G   1          1H2*        G   1   2.941  -9.035   4.003
   12   2H2*    G   1          2H2*        G   1   1.375  -9.753   3.405
   13   1H5*    G   2          1H5*        G   2  -1.193 -11.847   3.878
   14   2H5*    G   2          2H5*        G   2  -1.401 -12.483   2.224
   15    H4*    G   2           H4*        G   2  -3.379 -11.257   2.997
   16    H3*    G   2           H3*        G   2  -1.866 -10.530   0.670
   17    H1*    G   2           H1*        G   2  -3.839  -8.120   3.039
   18    H8     G   2           H8         G   2   0.014  -7.875   2.963
   19    H1     G   2           H1         G   2  -2.925  -2.649   5.055
   20   1H2     G   2          1H2         G   2  -5.843  -4.416   4.396
   21   2H2     G   2          2H2         G   2  -5.118  -2.925   4.966
   22   1H2*    G   2          1H2*        G   2  -1.547  -8.353   1.129
   23   2H2*    G   2          2H2*        G   2  -3.336  -8.188   0.819
   24   1H5*    A   3          1H5*        A   3  -6.227  -8.757   1.341
   25   2H5*    A   3          2H5*        A   3  -7.051  -8.965  -0.216
   26    H4*    A   3           H4*        A   3  -7.770  -6.886   0.836
   27    H3*    A   3           H3*        A   3  -6.570  -7.035  -1.766
   28    H1*    A   3           H1*        A   3  -6.308  -4.085   0.788
   29    H8     A   3           H8         A   3  -3.099  -6.046  -0.103
   30   1H6     A   3          1H6         A   3   0.118  -2.880   1.512
   31   2H6     A   3          2H6         A   3  -0.015  -1.288   2.234
   32    H2     A   3           H2         A   3  -4.406  -0.362   2.513
   33   1H2*    A   3          1H2*        A   3  -4.953  -5.493  -1.481
   34   2H2*    A   3          2H2*        A   3  -6.324  -4.288  -1.487
   35   1H5*    C   4          1H5*        C   4  -8.732  -3.225  -0.238
   36   2H5*    C   4          2H5*        C   4  -9.833  -2.649  -1.502
   37    H4*    C   4           H4*        C   4  -8.890  -0.738  -0.355
   38    H3*    C   4           H3*        C   4  -8.536  -1.210  -3.170
   39    H1*    C   4           H1*        C   4  -6.229   0.677  -0.730
   40   1H4     C   4          1H4         C   4  -0.060  -0.763  -1.076
   41   2H4     C   4          2H4         C   4  -0.394  -2.316  -1.817
   42    H5     C   4           H5         C   4  -2.634  -3.101  -2.299
   43    H6     C   4           H6         C   4  -5.020  -2.535  -2.199
   44   1H2*    C   4          1H2*        C   4  -6.291  -1.002  -3.216
   45   2H2*    C   4          2H2*        C   4  -6.629   0.772  -2.982
   46   1H5*  U25   5          1H5*      U5P   5  -7.894   3.425  -1.128
   47   2H5*  U25   5          2H5*      U5P   5  -8.677   4.339  -2.433
   48    H4*  U25   5           H4*      U5P   5  -6.774   5.601  -1.580
   49    H3*  U25   5           H3*      U5P   5  -6.629   4.427  -4.335
   50    H2*  U25   5           H2*      U5P   5  -4.467   5.029  -4.679
   51    H1*  U25   5           H1*      U5P   5  -3.545   5.048  -2.017
   52    H3   U25   5           HN3      U5P   5  -0.651   1.938  -3.378
   53    H5   U25   5           H5       U5P   5  -4.309   0.480  -4.867
   54    H6   U25   5           H6       U5P   5  -5.390   2.455  -3.963
   55   3HO*  U25   5          *HO3      U5P   5  -6.654   7.090  -3.287
   56   1H5*  U25   6          1H5*      U5P   6  -2.010   7.569  -2.570
   57   2H5*  U25   6          2H5*      U5P   6  -1.736   9.095  -3.437
   58    H4*  U25   6           H4*      U5P   6   0.396   8.089  -2.706
   59    H3*  U25   6           H3*      U5P   6  -0.239   8.948  -5.312
   60    H2*  U25   6           H2*      U5P   6  -0.085   7.008  -6.428
   61    H1*  U25   6           H1*      U5P   6   1.869   5.706  -4.572
   62    H3   U25   6           HN3      U5P   6   0.941   1.759  -6.482
   63    H5   U25   6           H5       U5P   6  -2.725   3.805  -6.771
   64    H6   U25   6           H6       U5P   6  -1.675   5.709  -5.674
   65   3HO*  U25   6          *HO3      U5P   6   2.339   8.735  -5.214
   66   1H5*  C25   7          1H5*      C5P   7   3.422   4.836  -9.488
   67   2H5*  C25   7          2H5*      C5P   7   3.187   3.488  -8.356
   68    H4*  C25   7           H4*      C5P   7   5.521   3.774  -9.420
   69    H3*  C25   7           H3*      C5P   7   4.751   2.935  -6.801
   70    H2*  C25   7           H2*      C5P   7   5.831   4.449  -5.540
   71    H1*  C25   7           H1*      C5P   7   7.829   5.307  -7.581
   72   1H4   C25   7          1HN4      C5P   7   7.219  10.440  -3.875
   73   2H4   C25   7          2HN4      C5P   7   5.506  10.164  -3.678
   74    H5   C25   7           H5       C5P   7   4.339   8.303  -4.694
   75    H6   C25   7           H6       C5P   7   4.590   6.313  -6.089
   76   3HO*  C25   7          *HO3      C5P   7   7.325   2.510  -7.885
   77   1H5*  G25   8          1H5*      5GP   8   8.688   4.761  -4.215
   78   2H5*  G25   8          2H5*      5GP   8   9.569   3.779  -3.007
   79    H4*  G25   8           H4*      5GP   8   8.803   5.986  -2.137
   80    H3*  G25   8           H3*      5GP   8   7.673   3.405  -1.107
   81    H2*  G25   8           H2*      5GP   8   6.112   4.407   0.257
   82    H1*  G25   8           H1*      5GP   8   5.403   6.534  -1.331
   83    H8   G25   8           H8       5GP   8   5.988   2.968  -2.715
   84    H1   G25   8           HN1      5GP   8  -0.132   4.483  -1.864
   85   1H2   G25   8          1HN2      5GP   8   1.113   7.402  -0.463
   86   2H2   G25   8          2HN2      5GP   8  -0.292   6.453  -0.893
   87   3HO*  G25   8          *HO3      5GP   8   9.091   5.532   0.168
   88   1H5*    G   9          1H5*        G   9   4.571   8.275   0.705
   89   2H5*    G   9          2H5*        G   9   5.024   8.644   2.394
   90    H4*    G   9           H4*        G   9   2.610   9.010   1.902
   91    H3*    G   9           H3*        G   9   3.657   7.458   4.013
   92    H1*    G   9           H1*        G   9   0.456   6.429   1.973
   93    H8     G   9           H8         G   9   3.756   4.503   1.408
   94    H1     G   9           H1         G   9  -1.531   1.359  -0.278
   95   1H2     G   9          1H2         G   9  -3.166   4.223   0.826
   96   2H2     G   9          2H2         G   9  -3.307   2.616   0.138
   97   1H2*    G   9          1H2*        G   9   2.861   5.430   3.436
   98   2H2*    G   9          2H2*        G   9   1.284   6.086   4.070
   99   1H5*    T  10          1H5*        T  10  -1.118   8.212   3.579
  100   2H5*    T  10          2H5*        T  10  -1.574   8.749   5.206
  101    H4*    T  10           H4*        T  10  -3.405   7.492   4.204
  102    H3*    T  10           H3*        T  10  -2.139   6.777   6.684
  103   1H2*    T  10          1H2*        T  10  -1.724   4.616   6.230
  104   2H2*    T  10          2H2*        T  10  -3.531   4.409   6.355
  105    H1*    T  10           H1*        T  10  -3.814   4.397   4.090
  106    H3     T  10           H3         T  10  -2.173   0.423   2.804
  107   1H5M    T  10          1H5M        T  10   1.937   2.688   5.097
  108   2H5M    T  10          2H5M        T  10   2.101   3.386   3.470
  109   3H5M    T  10          3H5M        T  10   2.195   1.624   3.693
  110    H6     T  10           H6         T  10  -0.128   4.373   4.594
  111   1H5*    C  11          1H5*        C  11  -6.344   4.963   5.579
  112   2H5*    C  11          2H5*        C  11  -7.346   5.087   7.037
  113    H4*    C  11           H4*        C  11  -7.848   3.016   5.859
  114    H3*    C  11           H3*        C  11  -6.937   3.129   8.582
  115    H1*    C  11           H1*        C  11  -6.355   0.291   5.989
  116   1H4     C  11          1H4         C  11  -0.326  -1.626   5.628
  117   2H4     C  11          2H4         C  11   0.261  -0.151   6.375
  118    H5     C  11           H5         C  11  -1.204   1.637   7.100
  119    H6     C  11           H6         C  11  -3.544   2.360   7.278
  120   1H2*    C  11          1H2*        C  11  -5.258   1.641   8.430
  121   2H2*    C  11          2H2*        C  11  -6.588   0.409   8.251
  122   1H5*    C  12          1H5*        C  12  -8.957  -0.940   6.791
  123   2H5*    C  12          2H5*        C  12 -10.148  -1.293   8.057
  124    H4*    C  12           H4*        C  12  -9.284  -3.379   7.180
  125    H3*    C  12           H3*        C  12  -9.034  -2.614   9.939
  126    H1*    C  12           H1*        C  12  -6.598  -4.841   7.864
  127   1H4     C  12          1H4         C  12  -0.520  -3.050   8.250
  128   2H4     C  12          2H4         C  12  -0.948  -1.511   8.977
  129    H5     C  12           H5         C  12  -3.230  -0.850   9.423
  130    H6     C  12           H6         C  12  -5.577  -1.534   9.274
  131    H3T    C  12           H3T        C  12 -10.457  -4.209   9.226
  132   1H2*    C  12          1H2*        C  12  -6.841  -2.964  10.194
  133   2H2*    C  12          2H2*        C  12  -7.257  -4.736  10.054
  Start of MODEL    9
    1   1H5*    G   1          1H5*        G   1   5.361 -10.999   5.605
    2   2H5*    G   1          2H5*        G   1   5.829 -11.309   3.910
    3    H4*    G   1           H4*        G   1   3.412 -11.688   4.383
    4    H3*    G   1           H3*        G   1   4.475 -10.096   2.301
    5    H1*    G   1           H1*        G   1   1.236  -9.233   4.306
    6    H8     G   1           H8         G   1   4.281  -6.870   4.745
    7    H1     G   1           H1         G   1  -1.222  -4.721   7.120
    8   1H2     G   1          1H2         G   1  -2.484  -7.776   6.044
    9   2H2     G   1          2H2         G   1  -2.811  -6.237   6.819
   10    H5T    G   1           H5T        G   1   5.263  -8.735   5.000
   11   1H2*    G   1          1H2*        G   1   3.641  -8.071   2.953
   12   2H2*    G   1          2H2*        G   1   2.094  -8.730   2.248
   13   1H5*    G   2          1H5*        G   2  -0.342 -11.329   2.865
   14   2H5*    G   2          2H5*        G   2  -0.723 -11.780   1.181
   15    H4*    G   2           H4*        G   2  -2.681 -10.922   2.417
   16    H3*    G   2           H3*        G   2  -1.691  -9.806  -0.033
   17    H1*    G   2           H1*        G   2  -3.456  -7.865   2.871
   18    H8     G   2           H8         G   2   0.297  -7.229   2.296
   19    H1     G   2           H1         G   2  -2.819  -2.429   5.035
   20   1H2     G   2          1H2         G   2  -5.618  -4.447   4.627
   21   2H2     G   2          2H2         G   2  -4.971  -2.918   5.191
   22   1H2*    G   2          1H2*        G   2  -1.517  -7.660   0.604
   23   2H2*    G   2          2H2*        G   2  -3.341  -7.680   0.606
   24   1H5*    A   3          1H5*        A   3  -6.053  -8.296   1.482
   25   2H5*    A   3          2H5*        A   3  -7.015  -8.535   0.012
   26    H4*    A   3           H4*        A   3  -7.743  -6.502   1.104
   27    H3*    A   3           H3*        A   3  -6.675  -6.555  -1.559
   28    H1*    A   3           H1*        A   3  -6.420  -3.628   1.030
   29    H8     A   3           H8         A   3  -3.178  -5.439  -0.062
   30   1H6     A   3          1H6         A   3   0.001  -2.197   1.507
   31   2H6     A   3          2H6         A   3  -0.155  -0.624   2.259
   32    H2     A   3           H2         A   3  -4.567   0.155   2.700
   33   1H2*    A   3          1H2*        A   3  -5.146  -4.917  -1.352
   34   2H2*    A   3          2H2*        A   3  -6.587  -3.802  -1.234
   35   1H5*    C   4          1H5*        C   4  -9.194  -2.636  -0.510
   36   2H5*    C   4          2H5*        C   4 -10.139  -2.284  -1.971
   37    H4*    C   4           H4*        C   4  -9.181  -0.226  -1.081
   38    H3*    C   4           H3*        C   4  -8.699  -1.197  -3.745
   39    H1*    C   4           H1*        C   4  -6.373   0.938  -1.506
   40   1H4     C   4          1H4         C   4  -0.411  -1.103  -0.828
   41   2H4     C   4          2H4         C   4  -0.788  -2.672  -1.511
   42    H5     C   4           H5         C   4  -2.997  -3.274  -2.282
   43    H6     C   4           H6         C   4  -5.304  -2.506  -2.549
   44   1H2*    C   4          1H2*        C   4  -6.445  -1.114  -3.697
   45   2H2*    C   4          2H2*        C   4  -6.679   0.687  -3.758
   46   1H5*  U25   5          1H5*      U5P   5  -8.202   3.692  -2.565
   47   2H5*  U25   5          2H5*      U5P   5  -8.646   4.456  -4.105
   48    H4*  U25   5           H4*      U5P   5  -6.839   5.706  -3.039
   49    H3*  U25   5           H3*      U5P   5  -6.270   4.193  -5.566
   50    H2*  U25   5           H2*      U5P   5  -4.046   4.675  -5.550
   51    H1*  U25   5           H1*      U5P   5  -3.643   4.940  -2.778
   52    H3   U25   5           HN3      U5P   5  -0.755   1.568  -3.288
   53    H5   U25   5           H5       U5P   5  -4.204   0.105  -5.205
   54    H6   U25   5           H6       U5P   5  -5.289   2.221  -4.730
   55   3HO*  U25   5          *HO3      U5P   5  -6.309   6.968  -4.869
   56   1H5*  U25   6          1H5*      U5P   6  -1.850   7.361  -3.320
   57   2H5*  U25   6          2H5*      U5P   6  -1.347   8.766  -4.284
   58    H4*  U25   6           H4*      U5P   6   0.575   7.759  -3.108
   59    H3*  U25   6           H3*      U5P   6   0.419   8.340  -5.862
   60    H2*  U25   6           H2*      U5P   6   0.640   6.282  -6.727
   61    H1*  U25   6           H1*      U5P   6   2.182   5.123  -4.437
   62    H3   U25   6           HN3      U5P   6   1.350   1.017  -6.022
   63    H5   U25   6           H5       U5P   6  -2.080   3.158  -7.183
   64    H6   U25   6           H6       U5P   6  -1.120   5.137  -6.135
   65   3HO*  U25   6          *HO3      U5P   6   2.929   8.043  -5.320
   66   1H5*  C25   7          1H5*      C5P   7   4.563   3.639  -8.830
   67   2H5*  C25   7          2H5*      C5P   7   4.034   2.433  -7.640
   68    H4*  C25   7           H4*      C5P   7   6.544   2.525  -8.234
   69    H3*  C25   7           H3*      C5P   7   5.226   1.990  -5.761
   70    H2*  C25   7           H2*      C5P   7   6.120   3.584  -4.453
   71    H1*  C25   7           H1*      C5P   7   8.531   4.139  -6.125
   72   1H4   C25   7          1HN4      C5P   7   7.587   9.697  -3.196
   73   2H4   C25   7          2HN4      C5P   7   5.851   9.519  -3.291
   74    H5   C25   7           H5       C5P   7   4.768   7.591  -4.275
   75    H6   C25   7           H6       C5P   7   5.140   5.438  -5.375
   76   3HO*  C25   7          *HO3      C5P   7   7.934   1.371  -6.320
   77   1H5*  G25   8          1H5*      5GP   8   8.834   3.719  -2.586
   78   2H5*  G25   8          2H5*      5GP   8   9.353   2.826  -1.124
   79    H4*  G25   8           H4*      5GP   8   8.615   5.165  -0.665
   80    H3*  G25   8           H3*      5GP   8   7.082   2.793   0.351
   81    H2*  G25   8           H2*      5GP   8   5.362   4.039   1.232
   82    H1*  G25   8           H1*      5GP   8   5.181   6.009  -0.672
   83    H8   G25   8           H8       5GP   8   5.736   2.287  -1.550
   84    H1   G25   8           HN1      5GP   8  -0.297   4.227  -2.066
   85   1H2   G25   8          1HN2      5GP   8   0.879   7.205  -0.732
   86   2H2   G25   8          2HN2      5GP   8  -0.486   6.295  -1.339
   87   3HO*  G25   8          *HO3      5GP   8   8.240   4.948   1.791
   88   1H5*    G   9          1H5*        G   9   3.890   8.282   0.569
   89   2H5*    G   9          2H5*        G   9   4.309   8.729   2.251
   90    H4*    G   9           H4*        G   9   1.944   9.268   1.576
   91    H3*    G   9           H3*        G   9   2.817   7.970   3.890
   92    H1*    G   9           H1*        G   9  -0.319   6.687   1.901
   93    H8     G   9           H8         G   9   2.971   4.659   1.829
   94    H1     G   9           H1         G   9  -2.136   1.529  -0.342
   95   1H2     G   9          1H2         G   9  -3.798   4.530   0.249
   96   2H2     G   9          2H2         G   9  -3.900   2.869  -0.306
   97   1H2*    G   9          1H2*        G   9   2.107   5.875   3.447
   98   2H2*    G   9          2H2*        G   9   0.514   6.535   4.026
   99   1H5*    T  10          1H5*        T  10  -1.954   8.427   3.527
  100   2H5*    T  10          2H5*        T  10  -2.454   9.012   5.125
  101    H4*    T  10           H4*        T  10  -4.097   7.427   4.273
  102    H3*    T  10           H3*        T  10  -2.694   7.097   6.757
  103   1H2*    T  10          1H2*        T  10  -1.935   5.004   6.426
  104   2H2*    T  10          2H2*        T  10  -3.680   4.520   6.638
  105    H1*    T  10           H1*        T  10  -4.032   4.318   4.390
  106    H3     T  10           H3         T  10  -1.876   0.685   2.938
  107   1H5M    T  10          1H5M        T  10   1.831   3.321   5.533
  108   2H5M    T  10          2H5M        T  10   2.014   4.028   3.915
  109   3H5M    T  10          3H5M        T  10   2.279   2.289   4.154
  110    H6     T  10           H6         T  10  -0.374   4.731   5.016
  111   1H5*    C  11          1H5*        C  11  -6.839   4.651   5.942
  112   2H5*    C  11          2H5*        C  11  -7.680   4.774   7.500
  113    H4*    C  11           H4*        C  11  -8.102   2.592   6.519
  114    H3*    C  11           H3*        C  11  -6.866   2.962   9.087
  115    H1*    C  11           H1*        C  11  -6.298   0.045   6.572
  116   1H4     C  11          1H4         C  11  -0.204  -1.160   5.333
  117   2H4     C  11          2H4         C  11   0.316   0.372   6.016
  118    H5     C  11           H5         C  11  -1.224   1.980   6.972
  119    H6     C  11           H6         C  11  -3.582   2.441   7.469
  120   1H2*    C  11          1H2*        C  11  -5.067   1.650   8.785
  121   2H2*    C  11          2H2*        C  11  -6.260   0.277   8.835
  122   1H5*    C  12          1H5*        C  12  -8.760  -1.278   7.653
  123   2H5*    C  12          2H5*        C  12  -9.708  -1.759   9.074
  124    H4*    C  12           H4*        C  12  -8.806  -3.738   7.983
  125    H3*    C  12           H3*        C  12  -8.267  -3.045  10.717
  126    H1*    C  12           H1*        C  12  -5.923  -4.959   8.257
  127   1H4     C  12          1H4         C  12  -0.074  -2.540   7.821
  128   2H4     C  12          2H4         C  12  -0.537  -1.081   8.680
  129    H5     C  12           H5         C  12  -2.774  -0.692   9.511
  130    H6     C  12           H6         C  12  -5.035  -1.618   9.678
  131    H3T    C  12           H3T        C  12  -8.588  -5.292  10.947
  132   1H2*    C  12          1H2*        C  12  -6.032  -3.180  10.673
  133   2H2*    C  12          2H2*        C  12  -6.295  -4.980  10.515
  Start of MODEL   10
    1   1H5*    G   1          1H5*        G   1   5.205 -11.705   6.413
    2   2H5*    G   1          2H5*        G   1   5.599 -12.018   4.699
    3    H4*    G   1           H4*        G   1   3.238 -12.530   5.301
    4    H3*    G   1           H3*        G   1   4.095 -10.879   3.163
    5    H1*    G   1           H1*        G   1   0.905 -10.212   5.339
    6    H8     G   1           H8         G   1   3.941  -7.886   5.934
    7    H1     G   1           H1         G   1  -1.735  -5.428   7.444
    8   1H2     G   1          1H2         G   1  -3.333  -6.884   6.958
    9   2H2     G   1          2H2         G   1  -2.972  -8.454   6.265
   10    H5T    G   1           H5T        G   1   5.090  -9.649   4.483
   11   1H2*    G   1          1H2*        G   1   3.117  -8.922   3.800
   12   2H2*    G   1          2H2*        G   1   1.590  -9.737   3.223
   13   1H5*    G   2          1H5*        G   2  -0.850 -11.931   3.626
   14   2H5*    G   2          2H5*        G   2  -1.023 -12.534   1.954
   15    H4*    G   2           H4*        G   2  -3.057 -11.415   2.706
   16    H3*    G   2           H3*        G   2  -1.514 -10.495   0.466
   17    H1*    G   2           H1*        G   2  -3.657  -8.322   2.903
   18    H8     G   2           H8         G   2   0.176  -7.871   2.966
   19    H1     G   2           H1         G   2  -3.129  -2.939   5.208
   20   1H2     G   2          1H2         G   2  -5.299  -3.341   5.032
   21   2H2     G   2          2H2         G   2  -5.912  -4.843   4.366
   22   1H2*    G   2          1H2*        G   2  -1.297  -8.339   1.063
   23   2H2*    G   2          2H2*        G   2  -3.081  -8.225   0.702
   24   1H5*    A   3          1H5*        A   3  -5.999  -8.843   1.118
   25   2H5*    A   3          2H5*        A   3  -6.720  -9.053  -0.488
   26    H4*    A   3           H4*        A   3  -7.598  -7.032   0.532
   27    H3*    A   3           H3*        A   3  -6.188  -7.059  -1.965
   28    H1*    A   3           H1*        A   3  -6.265  -4.166   0.668
   29    H8     A   3           H8         A   3  -2.917  -5.979   0.005
   30   1H6     A   3          1H6         A   3  -0.215  -1.142   2.642
   31   2H6     A   3          2H6         A   3   0.039  -2.710   1.906
   32    H2     A   3           H2         A   3  -4.657  -0.402   2.596
   33   1H2*    A   3          1H2*        A   3  -4.670  -5.456  -1.515
   34   2H2*    A   3          2H2*        A   3  -6.090  -4.310  -1.605
   35   1H5*    C   4          1H5*        C   4  -8.728  -3.189  -0.878
   36   2H5*    C   4          2H5*        C   4  -9.665  -2.839  -2.344
   37    H4*    C   4           H4*        C   4  -8.945  -0.748  -1.354
   38    H3*    C   4           H3*        C   4  -8.197  -1.567  -4.011
   39    H1*    C   4           H1*        C   4  -6.282   0.704  -1.550
   40   1H4     C   4          1H4         C   4  -0.109  -0.538  -0.808
   41   2H4     C   4          2H4         C   4  -0.281  -2.152  -1.474
   42    H5     C   4           H5         C   4  -2.398  -3.062  -2.218
   43    H6     C   4           H6         C   4  -4.790  -2.595  -2.509
   44   1H2*    C   4          1H2*        C   4  -5.973  -1.286  -3.783
   45   2H2*    C   4          2H2*        C   4  -6.373   0.486  -3.836
   46   1H5*  U25   5          1H5*      U5P   5  -8.153   3.237  -2.519
   47   2H5*  U25   5          2H5*      U5P   5  -8.658   4.045  -4.016
   48    H4*  U25   5           H4*      U5P   5  -7.037   5.436  -2.847
   49    H3*  U25   5           H3*      U5P   5  -6.201   4.122  -5.412
   50    H2*  U25   5           H2*      U5P   5  -4.064   4.894  -5.293
   51    H1*  U25   5           H1*      U5P   5  -3.780   5.044  -2.501
   52    H3   U25   5           HN3      U5P   5  -0.446   2.152  -3.292
   53    H5   U25   5           H5       U5P   5  -3.760   0.260  -5.067
   54    H6   U25   5           H6       U5P   5  -5.090   2.206  -4.496
   55   3HO*  U25   5          *HO3      U5P   5  -7.708   5.871  -5.384
   56   1H5*  U25   6          1H5*      U5P   6  -2.182   7.667  -3.008
   57   2H5*  U25   6          2H5*      U5P   6  -1.915   9.186  -3.890
   58    H4*  U25   6           H4*      U5P   6   0.191   8.410  -2.919
   59    H3*  U25   6           H3*      U5P   6  -0.231   8.985  -5.651
   60    H2*  U25   6           H2*      U5P   6   0.210   6.985  -6.555
   61    H1*  U25   6           H1*      U5P   6   2.037   6.035  -4.384
   62    H3   U25   6           HN3      U5P   6   1.712   1.874  -6.007
   63    H5   U25   6           H5       U5P   6  -2.040   3.518  -6.959
   64    H6   U25   6           H6       U5P   6  -1.326   5.596  -5.906
   65   3HO*  U25   6          *HO3      U5P   6   2.372   8.917  -5.139
   66   1H5*  C25   7          1H5*      C5P   7   4.004   4.740  -9.017
   67   2H5*  C25   7          2H5*      C5P   7   3.716   3.531  -7.750
   68    H4*  C25   7           H4*      C5P   7   6.121   3.783  -8.683
   69    H3*  C25   7           H3*      C5P   7   5.183   3.168  -6.054
   70    H2*  C25   7           H2*      C5P   7   6.118   4.837  -4.875
   71    H1*  C25   7           H1*      C5P   7   8.236   5.566  -6.847
   72   1H4   C25   7          1HN4      C5P   7   7.254  11.040  -3.773
   73   2H4   C25   7          2HN4      C5P   7   5.556  10.683  -3.555
   74    H5   C25   7           H5       C5P   7   4.514   8.657  -4.370
   75    H6   C25   7           H6       C5P   7   4.891   6.566  -5.570
   76   3HO*  C25   7          *HO3      C5P   7   7.847   2.739  -6.881
   77   1H5*  G25   8          1H5*      5GP   8   8.586   5.646  -3.239
   78   2H5*  G25   8          2H5*      5GP   8   9.411   4.721  -1.949
   79    H4*  G25   8           H4*      5GP   8   8.445   6.896  -1.179
   80    H3*  G25   8           H3*      5GP   8   7.419   4.253  -0.202
   81    H2*  G25   8           H2*      5GP   8   5.664   5.131   0.987
   82    H1*  G25   8           H1*      5GP   8   4.947   7.208  -0.673
   83    H8   G25   8           H8       5GP   8   5.921   3.657  -1.877
   84    H1   G25   8           HN1      5GP   8  -0.339   4.786  -1.795
   85   1H2   G25   8          1HN2      5GP   8  -0.730   6.778  -0.926
   86   2H2   G25   8          2HN2      5GP   8   0.553   7.825  -0.370
   87   3HO*  G25   8          *HO3      5GP   8   8.570   6.506   1.128
   88   1H5*    G   9          1H5*        G   9   3.985   8.693   1.448
   89   2H5*    G   9          2H5*        G   9   4.115   9.148   3.171
   90    H4*    G   9           H4*        G   9   1.799   9.267   2.351
   91    H3*    G   9           H3*        G   9   2.646   7.691   4.551
   92    H1*    G   9           H1*        G   9  -0.149   6.625   2.017
   93    H8     G   9           H8         G   9   3.252   4.802   1.916
   94    H1     G   9           H1         G   9  -1.689   1.490  -0.372
   95   1H2     G   9          1H2         G   9  -3.533   2.712  -0.232
   96   2H2     G   9          2H2         G   9  -3.519   4.335   0.430
   97   1H2*    G   9          1H2*        G   9   2.029   5.660   3.817
   98   2H2*    G   9          2H2*        G   9   0.342   6.228   4.207
   99   1H5*    T  10          1H5*        T  10  -2.131   7.945   3.645
  100   2H5*    T  10          2H5*        T  10  -2.689   8.546   5.218
  101    H4*    T  10           H4*        T  10  -4.362   7.051   4.274
  102    H3*    T  10           H3*        T  10  -3.115   6.653   6.819
  103   1H2*    T  10          1H2*        T  10  -2.371   4.550   6.508
  104   2H2*    T  10          2H2*        T  10  -4.132   4.094   6.639
  105    H1*    T  10           H1*        T  10  -4.376   3.883   4.380
  106    H3     T  10           H3         T  10  -2.151   0.212   3.150
  107   1H5M    T  10          1H5M        T  10   1.478   3.037   5.676
  108   2H5M    T  10          2H5M        T  10   1.959   1.930   4.368
  109   3H5M    T  10          3H5M        T  10   1.668   3.649   4.018
  110    H6     T  10           H6         T  10  -0.743   4.369   5.072
  111   1H5*    C  11          1H5*        C  11  -7.131   4.277   5.646
  112   2H5*    C  11          2H5*        C  11  -8.142   4.383   7.101
  113    H4*    C  11           H4*        C  11  -8.471   2.225   6.024
  114    H3*    C  11           H3*        C  11  -7.553   2.532   8.731
  115    H1*    C  11           H1*        C  11  -6.740  -0.344   6.249
  116   1H4     C  11          1H4         C  11  -0.582  -1.736   5.827
  117   2H4     C  11          2H4         C  11  -0.110  -0.214   6.562
  118    H5     C  11           H5         C  11  -1.713   1.455   7.285
  119    H6     C  11           H6         C  11  -4.102   1.987   7.469
  120   1H2*    C  11          1H2*        C  11  -5.747   1.201   8.618
  121   2H2*    C  11          2H2*        C  11  -6.956  -0.156   8.510
  122   1H5*    C  12          1H5*        C  12  -9.269  -1.716   7.001
  123   2H5*    C  12          2H5*        C  12 -10.381  -2.179   8.302
  124    H4*    C  12           H4*        C  12  -9.383  -4.175   7.366
  125    H3*    C  12           H3*        C  12  -9.094  -3.426  10.126
  126    H1*    C  12           H1*        C  12  -6.594  -5.446   7.928
  127   1H4     C  12          1H4         C  12  -0.630  -3.278   8.183
  128   2H4     C  12          2H4         C  12  -1.141  -1.766   8.910
  129    H5     C  12           H5         C  12  -3.449  -1.253   9.410
  130    H6     C  12           H6         C  12  -5.750  -2.088   9.317
  131    H3T    C  12           H3T        C  12 -10.423  -5.112   9.355
  132   1H2*    C  12          1H2*        C  12  -6.873  -3.623  10.297
  133   2H2*    C  12          2H2*        C  12  -7.170  -5.418  10.146


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