*HEADER    BIOSYNTHETIC PROTEIN                    03-SEP-19   6U7U              
*TITLE     NMR SOLUTION STRUCTURE OF TRIAZOLE BRIDGED MATRIPTASE INHIBITOR       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ARG-ALA-PHE-PRO-ASP;   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   4 ORGANISM_TAXID: 4232                                                 
*KEYWDS    TRIAZOLE, DISULFIDE MIMETIC, INHIBITOR, BIOSYNTHETIC PROTEIN          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.M.WHITE,P.J.HARVEY,T.DUREK,D.J.CRAIK                                
*REVDAT   1   22-APR-20 6U7U    0                                                
# Restraints file 1: restraints.tbl
!distance restraints
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.970    1.170    1.170  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.970    1.170    1.170  
assign (resid   2 and name   HN)   (resid   2 and name  HG2)   3.585    1.785    1.785  
assign (resid   2 and name   HN)   (resid   2 and name  HG1)   3.585    1.785    1.785  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.375    0.575    0.575  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.410    0.610    0.610  
assign (resid   3 and name   HN)   (resid   3 and name  HG2)   3.350    1.550    1.550  
assign (resid   4 and name   HN)   (resid   4 and name HG2#)   2.800    1.000    1.000  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.415    0.615    0.615  
assign (resid   4 and name   HB)   (resid   5 and name   HN)   2.565    0.765    0.765  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.575    0.775    0.775  
assign (resid   6 and name  HB2)   (resid   7 and name   HN)   2.920    1.120    1.120  
assign (resid   7 and name   HN)   (resid   7 and name   HB)   2.735    0.935    0.935  
assign (resid   7 and name   HN)   (resid   7 and name HG12)   3.505    1.705    1.705  
assign (resid   7 and name   HN)   (resid   7 and name HG2#)   3.525    1.725    1.725  
assign (resid   7 and name   HN)   (resid   7 and name HD1#)   3.650    1.850    1.850  
assign (resid   7 and name   HA)   (resid   8 and name   HA)   2.735    0.935    0.935  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.605    0.805    0.805  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.605    0.805    0.805  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.425    0.625    0.625  
assign (resid  10 and name   HN)   (resid  10 and name  HB2)   2.995    1.195    1.195  
assign (resid  10 and name   HN)   (resid  10 and name  HB1)   2.995    1.195    1.195  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.455    0.655    0.655  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.410    0.610    0.610  
assign (resid   3 and name   HA)   (resid  12 and name   HN)   3.150    1.350    1.350  
assign (resid   4 and name   HN)   (resid  11 and name   HA)   3.235    1.435    1.435  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.700    0.900    0.900  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.700    0.900    0.900  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   3.125    1.325    1.325  
assign (resid  11 and name   HD)   (resid  10 and name   HA)   3.650    1.850    1.850  
assign (resid  11 and name   HD)   (resid  11 and name   HN)   2.930    1.130    1.130  
assign (resid   1 and name   HN)   (resid  14 and name   HA)   3.150    1.350    1.350  
assign (resid   3 and name  HG1)   (resid  12 and name   HN)   3.315    1.515    1.515  
assign (resid  12 and name  HB2)   (resid  14 and name   HN)   3.020    1.220    1.220  
assign (resid  12 and name  HB1)   (resid  14 and name   HN)   3.020    1.220    1.220  
assign (resid  10 and name  HB2)   (resid  11 and name   HN)   3.485    1.685    1.685  
assign (resid  10 and name  HB1)   (resid  11 and name   HN)   3.485    1.685    1.685  
assign (resid   4 and name   HN)   (resid  10 and name  HB2)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid  10 and name  HB1)   3.650    1.850    1.850  
assign (resid   2 and name  HG2)   (resid   3 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HG1)   (resid   3 and name   HN)   3.650    1.850    1.850  
assign (resid   7 and name   HN)   (resid   7 and name HG11)   3.505    1.705    1.705  
assign (resid   2 and name  HB2)   (resid  12 and name  HD#)   3.310    1.510    1.510  
assign (resid   2 and name  HB1)   (resid  12 and name  HD#)   3.310    1.510    1.510  
assign (resid   4 and name HG2#)   (resid   6 and name   HN)   3.465    1.665    1.665  
assign (resid   4 and name HG2#)   (resid  12 and name  HD#)   3.545    1.745    1.745  
assign (resid   4 and name HG2#)   (resid  10 and name   HN)   3.340    1.540    1.540  
assign (resid  12 and name   HN)   (resid  12 and name  HD#)   3.075    1.275    1.275  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.970    1.170    1.170  
assign (resid   3 and name   HA)   (resid  11 and name   HA)   2.585    0.785    0.785  
assign (resid   3 and name   HA)   (resid   3 and name  HG1)   2.885    1.085    1.085  
assign (resid   3 and name  HG1)   (resid  11 and name   HA)   3.090    1.290    1.290  
assign (resid   3 and name  HG1)   (resid  11 and name  HB2)   2.975    1.175    1.175  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.695    0.895    0.895  
assign (resid   1 and name   HN)   (resid  14 and name   HN)   2.700    0.900    0.900  
assign (resid   4 and name   HN)   (resid  10 and name   HN)   2.830    1.030    1.030  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   3.480    1.680    1.680  
assign (resid   2 and name   HN)   (resid  12 and name   HN)   3.640    1.840    1.840  
assign (resid   3 and name  HG1)   (resid  11 and name  HB1)   2.975    1.175    1.175  
assign (resid   4 and name   HA)   (resid   4 and name HG2#)   2.605    0.805    0.805  
assign (resid   7 and name   HA)   (resid   7 and name HG2#)   2.620    0.820    0.820  
assign (resid   7 and name HG2#)   (resid   8 and name   HA)   2.735    0.935    0.935  
assign (resid   9 and name  HB2)   (resid  10 and name   HA)   3.185    1.385    1.385  
assign (resid   6 and name  HB1)   (resid   7 and name   HN)   2.920    1.120    1.120  
assign (resid   4 and name HG2#)   (resid  12 and name  HE#)   2.870    1.070    1.070  
assign (resid   4 and name HG2#)   (resid   5 and name   HN)   3.165    1.365    1.365  
assign (resid   1 and name   HN)   (resid  12 and name  HB#)   3.535    1.735    1.735  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.590    0.790    0.790  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   3.215    1.415    1.415  
assign (resid   2 and name   HN)   (resid  12 and name  HB#)   3.080    1.280    1.280  
assign (resid   2 and name  HB#)   (resid   2 and name   HE)   3.160    1.360    1.360  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   3.015    1.215    1.215  
assign (resid   2 and name  HB#)   (resid  12 and name  HD#)   2.960    1.160    1.160  
assign (resid   2 and name  HG#)   (resid   3 and name   HN)   3.325    1.525    1.525  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.650    0.850    0.850  
assign (resid   3 and name   HA)   (resid  11 and name  HB#)   3.355    1.555    1.555  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.765    0.965    0.965  
assign (resid  11 and name   HD)   (resid  11 and name  HB#)   2.595    0.795    0.795  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.625    0.825    0.825  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   3.475    1.675    1.675  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.565    0.765    0.765  
assign (resid   7 and name   HN)   (resid   7 and name HG1#)   3.070    1.270    1.270  
assign (resid   7 and name   HA)   (resid   9 and name  HD#)   3.090    1.290    1.290  
assign (resid   7 and name HG2#)   (resid   7 and name HG1#)   2.450    0.650    0.650  
assign (resid   8 and name   HA)   (resid   9 and name  HD#)   2.395    0.595    0.595  
assign (resid   8 and name  HB#)   (resid   9 and name  HD#)   2.730    0.930    0.930  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.660    0.860    0.860  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   3.140    1.340    1.340  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.725    0.925    0.925  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.785    0.985    0.985  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.530    0.730    0.730  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.455    0.655    0.655  
assign (resid  12 and name  HB#)   (resid  13 and name  HD#)   2.580    0.780    0.780  
assign (resid  12 and name  HB#)   (resid  14 and name   HN)   2.750    0.950    0.950  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.915    1.115    1.115  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.030    1.230    1.230  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.660    0.860    0.860  


!dihedral restraints
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -130.5   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  154.6   20.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -112.4   40.0 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  142.9   25.2 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0 -104.7   55.3 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  145.0   30.5 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -99.0   41.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  128.7   32.3 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  146.8   20.0 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0   86.6   70.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -119.7   64.4 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  144.1   62.6 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -93.4   39.7 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  126.5   32.9 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0 -107.9   49.3 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0   98.9   52.5 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -85.0   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name CG   )    1.0  -60.0   30.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name CB   ) (resid 6     and name OG   )    1.0   60.0   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name CB   ) (resid 14    and name CG   )    1.0   60.0   30.0 2

!HBonds
assign (resid 10 and name HN)(resid 4 and name OG1) 0 0 2
assign (resid 10 and name N)(resid 4 and name OG1) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -8.317   0.925   2.351
    2    HA2  GLY   1          2HA       GLY   1  -7.642   0.714   4.775
    3    HA3  GLY   1          1HA       GLY   1  -8.485  -0.826   4.718
    4    H    ARG   2           H        ARG   2  -7.433  -1.111   1.855
    5    HA   ARG   2           HA       ARG   2  -5.248  -2.734   2.544
    6    HB2  ARG   2          2HB       ARG   2  -6.603  -3.263   0.615
    7    HB3  ARG   2          1HB       ARG   2  -6.173  -1.747  -0.154
    8    HG2  ARG   2          2HG       ARG   2  -4.999  -3.657  -1.144
    9    HG3  ARG   2          1HG       ARG   2  -3.880  -2.504  -0.422
   10    HD2  ARG   2          2HD       ARG   2  -3.679  -3.921   1.549
   11    HD3  ARG   2          1HD       ARG   2  -4.825  -5.071   0.850
   12    HE   ARG   2           HE       ARG   2  -3.092  -5.144  -1.025
   13   HH11  ARG   2          1HH1      ARG   2  -2.289  -4.846   2.422
   14   HH12  ARG   2          2HH1      ARG   2  -0.787  -5.626   2.250
   15   HH21  ARG   2          1HH2      ARG   2  -1.082  -6.230  -1.215
   16   HH22  ARG   2          2HH2      ARG   2  -0.080  -6.445   0.154
   17    H    ALA   3           H        AZH   3  -3.305  -2.183   3.042
   18    HA   ALA   3           HA       AZH   3  -1.983   0.077   1.729
   19    HB1  ALA   3          1HB       AZH   3  -0.754   0.059   4.099
   20    HB2  ALA   3          2HB       AZH   3  -2.314  -0.562   4.621
   21    H    THR   4           H        THR   4  -0.009  -0.431   0.924
   22    HA   THR   4           HA       THR   4   0.742  -3.186   1.088
   23    HB   THR   4           HB       THR   4   2.524  -2.535  -0.534
   24    HG1  THR   4          1HG       THR   4   3.000  -0.529  -0.734
   25   HG21  THR   4          1HG2      THR   4   0.990  -2.021  -2.394
   26   HG22  THR   4          2HG2      THR   4  -0.262  -1.588  -1.232
   27   HG23  THR   4          3HG2      THR   4   0.314  -3.252  -1.327
   28    H    LYS   5           H        LYS   5   2.565  -4.014   1.976
   29    HA   LYS   5           HA       LYS   5   3.737  -2.419   4.095
   30    HB2  LYS   5          2HB       LYS   5   4.368  -5.278   3.332
   31    HB3  LYS   5          1HB       LYS   5   4.778  -4.477   4.839
   32    HG2  LYS   5          2HG       LYS   5   2.004  -5.164   3.884
   33    HG3  LYS   5          1HG       LYS   5   2.908  -5.983   5.154
   34    HD2  LYS   5          2HD       LYS   5   2.837  -3.989   6.519
   35    HD3  LYS   5          1HD       LYS   5   2.052  -3.090   5.216
   36    HE2  LYS   5          2HE       LYS   5   0.139  -4.600   5.333
   37    HE3  LYS   5          1HE       LYS   5   0.926  -5.499   6.627
   38    HZ1  LYS   5          1HZ       LYS   5  -0.687  -3.945   7.481
   39    HZ2  LYS   5          2HZ       LYS   5   0.123  -2.641   6.772
   40    HZ3  LYS   5          3HZ       LYS   5   0.855  -3.533   7.994
   41    H    SER   6           H        SER   6   4.562  -3.678   0.982
   42    HA   SER   6           HA       SER   6   7.305  -2.833   1.302
   43    HB2  SER   6          2HB       SER   6   7.496  -3.866  -1.017
   44    HB3  SER   6          1HB       SER   6   7.156  -4.970   0.312
   45    HG   SER   6           HG       SER   6   5.361  -3.934  -1.628
   46    H    ILE   7           H        ILE   7   8.273  -1.579  -0.441
   47    HA   ILE   7           HA       ILE   7   6.725   0.732  -1.054
   48    HB   ILE   7           HB       ILE   7   8.778   1.554  -2.176
   49   HG12  ILE   7          2HG1      ILE   7   9.962  -1.139  -1.428
   50   HG13  ILE   7          1HG1      ILE   7   9.542  -0.642  -3.059
   51   HG21  ILE   7          1HG2      ILE   7   9.243   0.325   0.540
   52   HG22  ILE   7          2HG2      ILE   7   8.521   1.901   0.216
   53   HG23  ILE   7          3HG2      ILE   7  10.217   1.609  -0.176
   54   HD11  ILE   7          1HD1      ILE   7  11.629   0.619  -1.298
   55   HD12  ILE   7          2HD1      ILE   7  11.224   1.130  -2.935
   56   HD13  ILE   7          3HD1      ILE   7  11.931  -0.462  -2.658
   57    HA   PRO   8           HA       PRO   8   6.709   2.422  -2.585
   58    HB2  PRO   8          2HB       PRO   8   4.552   3.342  -3.975
   59    HB3  PRO   8          1HB       PRO   8   6.178   3.308  -4.661
   60    HG2  PRO   8          2HG       PRO   8   3.913   1.396  -5.055
   61    HG3  PRO   8          1HG       PRO   8   5.057   2.037  -6.247
   62    HD2  PRO   8          2HD       PRO   8   5.300  -0.441  -5.163
   63    HD3  PRO   8          1HD       PRO   8   6.692   0.530  -5.675
   64    HA   PRO   9           HA       PRO   9   3.513   1.323   0.394
   65    HB2  PRO   9          2HB       PRO   9   3.752   4.073   1.418
   66    HB3  PRO   9          1HB       PRO   9   4.110   2.552   2.240
   67    HG2  PRO   9          2HG       PRO   9   6.071   4.235   1.485
   68    HG3  PRO   9          1HG       PRO   9   6.277   2.475   1.450
   69    HD2  PRO   9          2HD       PRO   9   5.677   4.352  -0.802
   70    HD3  PRO   9          1HD       PRO   9   6.817   2.988  -0.733
   71    H    ARG  10           H        ARG  10   1.686   1.200  -0.743
   72    HA   ARG  10           HA       ARG  10   0.346   3.685  -1.521
   73    HB2  ARG  10          2HB       ARG  10   1.103   2.335  -3.422
   74    HB3  ARG  10          1HB       ARG  10   0.246   0.947  -2.781
   75    HG2  ARG  10          2HG       ARG  10  -1.876   2.043  -3.152
   76    HG3  ARG  10          1HG       ARG  10  -1.048   3.508  -3.692
   77    HD2  ARG  10          2HD       ARG  10  -0.854   0.800  -5.005
   78    HD3  ARG  10          1HD       ARG  10  -1.833   2.147  -5.583
   79    HE   ARG  10           HE       ARG  10   0.601   3.239  -5.424
   80   HH11  ARG  10          1HH1      ARG  10  -0.453   0.213  -6.922
   81   HH12  ARG  10          2HH1      ARG  10   0.651   0.289  -8.206
   82   HH21  ARG  10          1HH2      ARG  10   2.150   3.335  -7.184
   83   HH22  ARG  10          2HH2      ARG  10   2.188   2.118  -8.356
   84    H    ALA  11           H        PRG  11  -1.645   3.998  -0.749
   85    HA   ALA  11           HA       PRG  11  -2.865   1.748   0.625
   86    HB1  ALA  11          1HB       PRG  11  -3.664   3.187   2.397
   87    HB2  ALA  11          2HB       PRG  11  -2.944   4.601   1.688
   88    H    PHE  12           H        PHE  12  -4.920   1.536   0.464
   89    HA   PHE  12           HA       PHE  12  -6.311   3.273  -1.449
   90    HB2  PHE  12          2HB       PHE  12  -6.820   0.368  -0.735
   91    HB3  PHE  12          1HB       PHE  12  -7.702   1.292  -1.938
   92    HD1  PHE  12          1HD       PHE  12  -6.708   1.782  -4.092
   93    HD2  PHE  12          2HD       PHE  12  -4.573  -0.434  -1.166
   94    HE1  PHE  12          1HE       PHE  12  -5.102   1.061  -5.812
   95    HE2  PHE  12          2HE       PHE  12  -2.968  -1.161  -2.873
   96    HZ   PHE  12           HZ       PHE  12  -3.228  -0.420  -5.201
   97    HA   PRO  13           HA       PRO  13  -8.849   4.691   1.906
   98    HB2  PRO  13          2HB       PRO  13 -11.185   4.448   0.082
   99    HB3  PRO  13          1HB       PRO  13 -10.594   5.853   0.972
  100    HG2  PRO  13          2HG       PRO  13 -10.200   5.676  -1.643
  101    HG3  PRO  13          1HG       PRO  13  -8.925   6.301  -0.583
  102    HD2  PRO  13          2HD       PRO  13  -9.175   3.600  -1.853
  103    HD3  PRO  13          1HD       PRO  13  -7.745   4.634  -1.656
  104    H    ASP  14           H        ASP  14  -9.667   1.723   0.389
  105    HA   ASP  14           HA       ASP  14 -11.746   0.943   2.196
  106    HB2  ASP  14          2HB       ASP  14 -11.337  -1.362   1.265
  107    HB3  ASP  14          1HB       ASP  14 -11.750  -0.130   0.077
  108    H1   WMH 101          1HG       AZH   3  -2.779   1.741   4.845
  109    H2   WMH 101          2HG       AZH   3  -3.150   1.458   3.179
  110    H5   WMH 101           HD       PRG  11  -0.208   4.782   1.759
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -8.899   1.159   3.029
    2    HA2  GLY   1          2HA       GLY   1  -7.884   0.173   4.861
    3    HA3  GLY   1          1HA       GLY   1  -9.067  -1.131   4.764
    4    H    ARG   2           H        ARG   2  -6.359   0.181   2.917
    5    HA   ARG   2           HA       ARG   2  -5.156  -2.404   2.726
    6    HB2  ARG   2          2HB       ARG   2  -6.763  -2.651   0.983
    7    HB3  ARG   2          1HB       ARG   2  -6.412  -1.059   0.346
    8    HG2  ARG   2          2HG       ARG   2  -4.302  -1.806  -0.501
    9    HG3  ARG   2          1HG       ARG   2  -4.474  -3.361   0.320
   10    HD2  ARG   2          2HD       ARG   2  -5.035  -3.339  -2.154
   11    HD3  ARG   2          1HD       ARG   2  -6.254  -4.026  -1.083
   12    HE   ARG   2           HE       ARG   2  -7.264  -1.670  -1.230
   13   HH11  ARG   2          1HH1      ARG   2  -5.679  -3.325  -3.928
   14   HH12  ARG   2          2HH1      ARG   2  -6.599  -2.531  -5.118
   15   HH21  ARG   2          1HH2      ARG   2  -8.458  -0.589  -2.779
   16   HH22  ARG   2          2HH2      ARG   2  -8.261  -0.886  -4.450
   17    H    ALA   3           H        AZH   3  -3.188  -1.907   3.225
   18    HA   ALA   3           HA       AZH   3  -1.799   0.209   1.804
   19    HB1  ALA   3          1HB       AZH   3  -0.484   0.233   4.147
   20    HB2  ALA   3          2HB       AZH   3  -2.082  -0.205   4.736
   21    H    THR   4           H        THR   4   0.138  -0.410   1.024
   22    HA   THR   4           HA       THR   4   0.753  -3.196   1.281
   23    HB   THR   4           HB       THR   4   2.541  -2.704  -0.371
   24    HG1  THR   4          1HG       THR   4   3.163  -0.710  -0.228
   25   HG21  THR   4          1HG2      THR   4   0.302  -3.337  -1.130
   26   HG22  THR   4          2HG2      THR   4   1.019  -2.170  -2.239
   27   HG23  THR   4          3HG2      THR   4  -0.204  -1.649  -1.078
   28    H    LYS   5           H        LYS   5   2.553  -4.063   2.137
   29    HA   LYS   5           HA       LYS   5   3.898  -2.551   4.178
   30    HB2  LYS   5          2HB       LYS   5   3.197  -4.936   4.481
   31    HB3  LYS   5          1HB       LYS   5   4.322  -5.390   3.214
   32    HG2  LYS   5          2HG       LYS   5   6.191  -4.645   4.584
   33    HG3  LYS   5          1HG       LYS   5   5.075  -4.133   5.849
   34    HD2  LYS   5          2HD       LYS   5   5.981  -6.284   6.461
   35    HD3  LYS   5          1HD       LYS   5   4.287  -6.497   6.030
   36    HE2  LYS   5          2HE       LYS   5   5.553  -8.298   5.063
   37    HE3  LYS   5          1HE       LYS   5   5.026  -7.243   3.760
   38    HZ1  LYS   5          1HZ       LYS   5   7.753  -7.334   4.958
   39    HZ2  LYS   5          2HZ       LYS   5   7.278  -6.223   3.803
   40    HZ3  LYS   5          3HZ       LYS   5   7.302  -7.847   3.425
   41    H    SER   6           H        SER   6   4.525  -3.942   1.004
   42    HA   SER   6           HA       SER   6   7.293  -3.190   1.016
   43    HB2  SER   6          2HB       SER   6   7.158  -4.098  -1.328
   44    HB3  SER   6          1HB       SER   6   6.671  -5.240  -0.069
   45    HG   SER   6           HG       SER   6   4.956  -5.414  -1.202
   46    H    ILE   7           H        ILE   7   8.164  -1.779  -0.638
   47    HA   ILE   7           HA       ILE   7   6.510   0.561  -0.957
   48    HB   ILE   7           HB       ILE   7   8.543   1.683  -1.796
   49   HG12  ILE   7          2HG1      ILE   7   9.981  -0.923  -1.260
   50   HG13  ILE   7          1HG1      ILE   7   9.556  -0.347  -2.872
   51   HG21  ILE   7          1HG2      ILE   7   8.964   0.159   0.764
   52   HG22  ILE   7          2HG2      ILE   7   8.102   1.686   0.580
   53   HG23  ILE   7          3HG2      ILE   7   9.839   1.611   0.278
   54   HD11  ILE   7          1HD1      ILE   7  11.400   1.019  -0.919
   55   HD12  ILE   7          2HD1      ILE   7  10.989   1.602  -2.533
   56   HD13  ILE   7          3HD1      ILE   7  11.880   0.092  -2.341
   57    HA   PRO   8           HA       PRO   8   6.840   2.495  -2.396
   58    HB2  PRO   8          2HB       PRO   8   4.567   3.090  -4.162
   59    HB3  PRO   8          1HB       PRO   8   6.135   3.900  -4.069
   60    HG2  PRO   8          2HG       PRO   8   5.447   2.386  -6.182
   61    HG3  PRO   8          1HG       PRO   8   7.115   2.460  -5.587
   62    HD2  PRO   8          2HD       PRO   8   5.031   0.358  -5.103
   63    HD3  PRO   8          1HD       PRO   8   6.746   0.157  -5.518
   64    HA   PRO   9           HA       PRO   9   3.450   1.655   0.412
   65    HB2  PRO   9          2HB       PRO   9   3.373   4.593   0.736
   66    HB3  PRO   9          1HB       PRO   9   3.532   3.337   1.971
   67    HG2  PRO   9          2HG       PRO   9   5.672   4.776   1.309
   68    HG3  PRO   9          1HG       PRO   9   5.816   3.029   1.559
   69    HD2  PRO   9          2HD       PRO   9   5.674   4.560  -1.011
   70    HD3  PRO   9          1HD       PRO   9   6.715   3.195  -0.542
   71    H    ARG  10           H        ARG  10   1.802   1.071  -0.848
   72    HA   ARG  10           HA       ARG  10   0.263   3.079  -2.289
   73    HB2  ARG  10          2HB       ARG  10   0.442   0.064  -2.423
   74    HB3  ARG  10          1HB       ARG  10  -0.767   0.989  -3.300
   75    HG2  ARG  10          2HG       ARG  10   0.744   1.782  -4.819
   76    HG3  ARG  10          1HG       ARG  10   2.081   1.743  -3.669
   77    HD2  ARG  10          2HD       ARG  10   0.819  -0.769  -4.741
   78    HD3  ARG  10          1HD       ARG  10   2.133   0.048  -5.589
   79    HE   ARG  10           HE       ARG  10   3.036  -0.187  -3.056
   80   HH11  ARG  10          1HH1      ARG  10   1.842  -2.589  -5.373
   81   HH12  ARG  10          2HH1      ARG  10   2.848  -3.835  -4.820
   82   HH21  ARG  10          1HH2      ARG  10   4.441  -1.906  -2.305
   83   HH22  ARG  10          2HH2      ARG  10   4.387  -3.437  -3.024
   84    H    ALA  11           H        PRG  11  -1.359   3.885  -1.008
   85    HA   ALA  11           HA       PRG  11  -2.730   1.927   0.652
   86    HB1  ALA  11          1HB       PRG  11  -3.180   3.582   2.366
   87    HB2  ALA  11          2HB       PRG  11  -2.344   4.833   1.494
   88    H    PHE  12           H        PHE  12  -4.800   1.883   0.638
   89    HA   PHE  12           HA       PHE  12  -6.203   3.768  -1.124
   90    HB2  PHE  12          2HB       PHE  12  -6.536   0.750  -1.041
   91    HB3  PHE  12          1HB       PHE  12  -7.522   1.844  -2.000
   92    HD1  PHE  12          1HD       PHE  12  -4.305   0.162  -1.718
   93    HD2  PHE  12          2HD       PHE  12  -6.576   2.983  -3.948
   94    HE1  PHE  12          1HE       PHE  12  -2.670   0.024  -3.543
   95    HE2  PHE  12          2HE       PHE  12  -4.942   2.859  -5.778
   96    HZ   PHE  12           HZ       PHE  12  -2.980   1.382  -5.577
   97    HA   PRO  13           HA       PRO  13  -8.930   4.349   2.282
   98    HB2  PRO  13          2HB       PRO  13 -11.196   5.117   1.048
   99    HB3  PRO  13          1HB       PRO  13  -9.737   6.114   1.091
  100    HG2  PRO  13          2HG       PRO  13 -10.711   4.292  -1.080
  101    HG3  PRO  13          1HG       PRO  13 -10.129   5.963  -1.220
  102    HD2  PRO  13          2HD       PRO  13  -8.556   3.868  -1.786
  103    HD3  PRO  13          1HD       PRO  13  -7.918   5.336  -1.013
  104    H    ASP  14           H        ASP  14  -9.132   1.631   0.683
  105    HA   ASP  14           HA       ASP  14 -11.699   0.790   1.824
  106    HB2  ASP  14          2HB       ASP  14 -11.477  -1.225   0.384
  107    HB3  ASP  14          1HB       ASP  14 -11.536   0.273  -0.534
  108    H1   WMH 101          1HG       AZH   3  -2.301   2.150   4.808
  109    H2   WMH 101          2HG       AZH   3  -2.788   1.780   3.187
  110    H5   WMH 101           HD       PRG  11   0.388   4.690   1.401
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -8.718   1.249   2.647
    2    HA2  GLY   1          2HA       GLY   1  -7.852   1.012   4.848
    3    HA3  GLY   1          1HA       GLY   1  -8.920  -0.359   5.082
    4    H    ARG   2           H        ARG   2  -6.791   0.125   2.305
    5    HA   ARG   2           HA       ARG   2  -5.290  -2.240   3.262
    6    HB2  ARG   2          2HB       ARG   2  -5.633  -1.470   0.359
    7    HB3  ARG   2          1HB       ARG   2  -4.981  -2.961   1.000
    8    HG2  ARG   2          2HG       ARG   2  -7.844  -2.068   1.194
    9    HG3  ARG   2          1HG       ARG   2  -7.198  -3.244   0.055
   10    HD2  ARG   2          2HD       ARG   2  -6.671  -4.759   1.823
   11    HD3  ARG   2          1HD       ARG   2  -7.069  -3.547   3.047
   12    HE   ARG   2           HE       ARG   2  -9.329  -3.686   1.689
   13   HH11  ARG   2          1HH1      ARG   2  -7.310  -6.327   2.972
   14   HH12  ARG   2          2HH1      ARG   2  -8.631  -7.364   3.258
   15   HH21  ARG   2          1HH2      ARG   2 -11.118  -5.108   2.173
   16   HH22  ARG   2          2HH2      ARG   2 -10.836  -6.650   2.825
   17    H    ALA   3           H        AZH   3  -3.077  -2.059   3.232
   18    HA   ALA   3           HA       AZH   3  -1.860   0.177   1.866
   19    HB1  ALA   3          1HB       AZH   3  -0.452   0.327   4.130
   20    HB2  ALA   3          2HB       AZH   3  -1.979  -0.213   4.820
   21    H    THR   4           H        THR   4   0.093  -0.317   1.030
   22    HA   THR   4           HA       THR   4   0.755  -3.094   1.144
   23    HB   THR   4           HB       THR   4   2.379  -2.568  -0.636
   24    HG1  THR   4          1HG       THR   4   3.072  -0.601  -0.471
   25   HG21  THR   4          1HG2      THR   4   0.739  -1.918  -2.352
   26   HG22  THR   4          2HG2      THR   4  -0.372  -1.396  -1.085
   27   HG23  THR   4          3HG2      THR   4   0.064  -3.099  -1.228
   28    H    LYS   5           H        LYS   5   2.381  -4.003   2.149
   29    HA   LYS   5           HA       LYS   5   4.143  -2.407   3.754
   30    HB2  LYS   5          2HB       LYS   5   5.128  -4.609   4.440
   31    HB3  LYS   5          1HB       LYS   5   3.415  -4.456   4.782
   32    HG2  LYS   5          2HG       LYS   5   2.939  -5.805   2.759
   33    HG3  LYS   5          1HG       LYS   5   4.672  -5.992   2.513
   34    HD2  LYS   5          2HD       LYS   5   3.232  -6.853   5.023
   35    HD3  LYS   5          1HD       LYS   5   3.540  -7.929   3.669
   36    HE2  LYS   5          2HE       LYS   5   5.679  -6.474   5.228
   37    HE3  LYS   5          1HE       LYS   5   5.200  -8.142   5.503
   38    HZ1  LYS   5          1HZ       LYS   5   5.901  -8.684   3.253
   39    HZ2  LYS   5          2HZ       LYS   5   7.167  -7.973   4.101
   40    HZ3  LYS   5          3HZ       LYS   5   6.310  -7.081   2.969
   41    H    SER   6           H        SER   6   4.139  -3.894   0.667
   42    HA   SER   6           HA       SER   6   6.975  -3.658   0.353
   43    HB2  SER   6          2HB       SER   6   6.448  -4.266  -2.045
   44    HB3  SER   6          1HB       SER   6   5.901  -5.451  -0.861
   45    HG   SER   6           HG       SER   6   3.879  -4.965  -1.261
   46    H    ILE   7           H        ILE   7   8.014  -2.004  -0.621
   47    HA   ILE   7           HA       ILE   7   6.520   0.454  -0.809
   48    HB   ILE   7           HB       ILE   7   8.714   1.555  -1.179
   49   HG12  ILE   7          2HG1      ILE   7   9.898  -1.203  -0.768
   50   HG13  ILE   7          1HG1      ILE   7   9.843  -0.358  -2.313
   51   HG21  ILE   7          1HG2      ILE   7   9.607   1.165   1.067
   52   HG22  ILE   7          2HG2      ILE   7   8.586  -0.266   1.210
   53   HG23  ILE   7          3HG2      ILE   7   7.850   1.329   1.063
   54   HD11  ILE   7          1HD1      ILE   7  11.282   1.386  -1.403
   55   HD12  ILE   7          2HD1      ILE   7  12.035  -0.203  -1.260
   56   HD13  ILE   7          3HD1      ILE   7  11.306   0.559   0.153
   57    HA   PRO   8           HA       PRO   8   7.107   2.624  -1.851
   58    HB2  PRO   8          2HB       PRO   8   5.296   4.000  -3.330
   59    HB3  PRO   8          1HB       PRO   8   7.009   3.946  -3.751
   60    HG2  PRO   8          2HG       PRO   8   4.737   2.343  -4.859
   61    HG3  PRO   8          1HG       PRO   8   6.064   3.144  -5.720
   62    HD2  PRO   8          2HD       PRO   8   6.080   0.495  -5.213
   63    HD3  PRO   8          1HD       PRO   8   7.570   1.462  -5.221
   64    HA   PRO   9           HA       PRO   9   3.494   1.611   0.515
   65    HB2  PRO   9          2HB       PRO   9   3.015   4.029   1.713
   66    HB3  PRO   9          1HB       PRO   9   4.277   2.907   2.239
   67    HG2  PRO   9          2HG       PRO   9   4.503   5.344   0.520
   68    HG3  PRO   9          1HG       PRO   9   5.583   4.779   1.807
   69    HD2  PRO   9          2HD       PRO   9   6.148   4.423  -0.809
   70    HD3  PRO   9          1HD       PRO   9   6.622   3.242   0.430
   71    H    ARG  10           H        ARG  10   1.829   1.232  -0.780
   72    HA   ARG  10           HA       ARG  10   0.358   3.467  -1.968
   73    HB2  ARG  10          2HB       ARG  10   0.588   0.540  -2.669
   74    HB3  ARG  10          1HB       ARG  10  -0.604   1.609  -3.391
   75    HG2  ARG  10          2HG       ARG  10   0.945   2.697  -4.669
   76    HG3  ARG  10          1HG       ARG  10   2.250   2.422  -3.511
   77    HD2  ARG  10          2HD       ARG  10   0.992   0.232  -5.147
   78    HD3  ARG  10          1HD       ARG  10   2.437   1.110  -5.657
   79    HE   ARG  10           HE       ARG  10   3.256   0.386  -3.328
   80   HH11  ARG  10          1HH1      ARG  10   1.325  -1.649  -5.494
   81   HH12  ARG  10          2HH1      ARG  10   1.978  -3.111  -4.943
   82   HH21  ARG  10          1HH2      ARG  10   4.175  -1.602  -2.571
   83   HH22  ARG  10          2HH2      ARG  10   3.680  -3.090  -3.185
   84    H    ALA  11           H        PRG  11  -1.599   3.841  -1.075
   85    HA   ALA  11           HA       PRG  11  -2.687   1.668   0.515
   86    HB1  ALA  11          1HB       PRG  11  -3.496   3.183   2.217
   87    HB2  ALA  11          2HB       PRG  11  -2.891   4.589   1.400
   88    H    PHE  12           H        PHE  12  -4.872   1.587   0.735
   89    HA   PHE  12           HA       PHE  12  -6.312   2.814  -1.518
   90    HB2  PHE  12          2HB       PHE  12  -6.636   0.006  -0.428
   91    HB3  PHE  12          1HB       PHE  12  -7.536   0.707  -1.756
   92    HD1  PHE  12          1HD       PHE  12  -6.573   0.967  -3.930
   93    HD2  PHE  12          2HD       PHE  12  -4.248  -0.634  -0.744
   94    HE1  PHE  12          1HE       PHE  12  -4.883   0.208  -5.531
   95    HE2  PHE  12          2HE       PHE  12  -2.567  -1.395  -2.343
   96    HZ   PHE  12           HZ       PHE  12  -2.878  -0.972  -4.744
   97    HA   PRO  13           HA       PRO  13  -8.982   4.482   1.539
   98    HB2  PRO  13          2HB       PRO  13 -11.283   4.700   0.107
   99    HB3  PRO  13          1HB       PRO  13  -9.900   5.785  -0.074
  100    HG2  PRO  13          2HG       PRO  13 -10.654   3.392  -1.713
  101    HG3  PRO  13          1HG       PRO  13 -10.124   4.993  -2.262
  102    HD2  PRO  13          2HD       PRO  13  -8.428   2.935  -2.200
  103    HD3  PRO  13          1HD       PRO  13  -7.896   4.566  -1.740
  104    H    ASP  14           H        ASP  14  -9.520   1.312   0.464
  105    HA   ASP  14           HA       ASP  14 -11.850   1.071   2.207
  106    HB2  ASP  14          2HB       ASP  14 -12.255  -1.106   1.301
  107    HB3  ASP  14          1HB       ASP  14 -11.867  -0.068  -0.056
  108    H1   WMH 101          1HG       AZH   3  -2.369   2.134   4.868
  109    H2   WMH 101          2HG       AZH   3  -2.911   1.687   3.292
  110    H5   WMH 101           HD       PRG  11  -0.140   4.859   1.274
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -8.813   0.917   2.840
    2    HA2  GLY   1          2HA       GLY   1  -7.871   0.038   4.812
    3    HA3  GLY   1          1HA       GLY   1  -8.942  -1.349   4.652
    4    H    ARG   2           H        ARG   2  -6.404   0.232   2.758
    5    HA   ARG   2           HA       ARG   2  -5.136  -2.362   2.411
    6    HB2  ARG   2          2HB       ARG   2  -6.844  -1.954   0.592
    7    HB3  ARG   2          1HB       ARG   2  -5.844  -0.609   0.089
    8    HG2  ARG   2          2HG       ARG   2  -3.974  -2.145  -0.313
    9    HG3  ARG   2          1HG       ARG   2  -5.007  -3.499   0.151
   10    HD2  ARG   2          2HD       ARG   2  -5.343  -1.653  -2.215
   11    HD3  ARG   2          1HD       ARG   2  -5.011  -3.387  -2.223
   12    HE   ARG   2           HE       ARG   2  -7.507  -2.435  -1.028
   13   HH11  ARG   2          1HH1      ARG   2  -5.950  -4.071  -3.746
   14   HH12  ARG   2          2HH1      ARG   2  -7.373  -4.782  -4.324
   15   HH21  ARG   2          1HH2      ARG   2  -9.391  -3.330  -1.756
   16   HH22  ARG   2          2HH2      ARG   2  -9.461  -4.326  -3.160
   17    H    ALA   3           H        AZH   3  -3.129  -1.903   2.993
   18    HA   ALA   3           HA       AZH   3  -1.792   0.364   1.739
   19    HB1  ALA   3          1HB       AZH   3  -0.470   0.308   4.060
   20    HB2  ALA   3          2HB       AZH   3  -2.025  -0.263   4.651
   21    H    THR   4           H        THR   4   0.100  -0.228   0.846
   22    HA   THR   4           HA       THR   4   0.850  -2.972   1.181
   23    HB   THR   4           HB       THR   4   2.522  -2.416  -0.635
   24    HG1  THR   4          1HG       THR   4   2.736  -0.445  -1.245
   25   HG21  THR   4          1HG2      THR   4   0.834  -2.295  -2.424
   26   HG22  THR   4          2HG2      THR   4  -0.386  -1.841  -1.234
   27   HG23  THR   4          3HG2      THR   4   0.360  -3.438  -1.168
   28    H    LYS   5           H        LYS   5   2.468  -3.646   2.322
   29    HA   LYS   5           HA       LYS   5   3.954  -1.782   3.954
   30    HB2  LYS   5          2HB       LYS   5   4.171  -4.802   3.749
   31    HB3  LYS   5          1HB       LYS   5   4.861  -3.795   5.020
   32    HG2  LYS   5          2HG       LYS   5   2.654  -3.138   5.747
   33    HG3  LYS   5          1HG       LYS   5   1.928  -4.054   4.428
   34    HD2  LYS   5          2HD       LYS   5   1.716  -5.310   6.469
   35    HD3  LYS   5          1HD       LYS   5   2.885  -6.116   5.430
   36    HE2  LYS   5          2HE       LYS   5   4.711  -5.260   6.706
   37    HE3  LYS   5          1HE       LYS   5   3.631  -4.237   7.658
   38    HZ1  LYS   5          1HZ       LYS   5   4.250  -6.254   8.852
   39    HZ2  LYS   5          2HZ       LYS   5   3.595  -7.206   7.623
   40    HZ3  LYS   5          3HZ       LYS   5   2.593  -6.209   8.537
   41    H    SER   6           H        SER   6   4.372  -3.855   1.202
   42    HA   SER   6           HA       SER   6   7.156  -3.516   0.964
   43    HB2  SER   6          2HB       SER   6   6.544  -4.516  -1.333
   44    HB3  SER   6          1HB       SER   6   6.229  -5.502   0.099
   45    HG   SER   6           HG       SER   6   4.525  -5.119  -1.646
   46    H    ILE   7           H        ILE   7   8.194  -2.063  -0.412
   47    HA   ILE   7           HA       ILE   7   6.710   0.310  -1.003
   48    HB   ILE   7           HB       ILE   7   8.834   1.277  -1.750
   49   HG12  ILE   7          2HG1      ILE   7  10.052  -1.449  -1.217
   50   HG13  ILE   7          1HG1      ILE   7   9.748  -0.796  -2.821
   51   HG21  ILE   7          1HG2      ILE   7   8.319   1.263   0.626
   52   HG22  ILE   7          2HG2      ILE   7  10.054   1.099   0.366
   53   HG23  ILE   7          3HG2      ILE   7   9.091  -0.313   0.798
   54   HD11  ILE   7          1HD1      ILE   7  11.317   1.020  -2.373
   55   HD12  ILE   7          2HD1      ILE   7  12.082  -0.558  -2.186
   56   HD13  ILE   7          3HD1      ILE   7  11.608   0.369  -0.762
   57    HA   PRO   8           HA       PRO   8   6.904   2.132  -2.448
   58    HB2  PRO   8          2HB       PRO   8   4.900   3.146  -3.945
   59    HB3  PRO   8          1HB       PRO   8   6.565   3.063  -4.531
   60    HG2  PRO   8          2HG       PRO   8   4.269   1.215  -5.069
   61    HG3  PRO   8          1HG       PRO   8   5.449   1.875  -6.213
   62    HD2  PRO   8          2HD       PRO   8   5.644  -0.623  -5.206
   63    HD3  PRO   8          1HD       PRO   8   7.071   0.350  -5.605
   64    HA   PRO   9           HA       PRO   9   3.387   1.158   0.215
   65    HB2  PRO   9          2HB       PRO   9   3.695   3.753   1.482
   66    HB3  PRO   9          1HB       PRO   9   4.064   2.159   2.139
   67    HG2  PRO   9          2HG       PRO   9   5.975   4.010   1.517
   68    HG3  PRO   9          1HG       PRO   9   6.259   2.262   1.500
   69    HD2  PRO   9          2HD       PRO   9   5.736   4.124  -0.780
   70    HD3  PRO   9          1HD       PRO   9   6.859   2.748  -0.653
   71    H    ARG  10           H        ARG  10   1.600   1.270  -0.974
   72    HA   ARG  10           HA       ARG  10   0.463   3.901  -1.585
   73    HB2  ARG  10          2HB       ARG  10   0.080   1.245  -2.984
   74    HB3  ARG  10          1HB       ARG  10  -0.778   2.724  -3.391
   75    HG2  ARG  10          2HG       ARG  10   1.303   3.785  -4.046
   76    HG3  ARG  10          1HG       ARG  10   2.206   2.348  -3.566
   77    HD2  ARG  10          2HD       ARG  10   1.023   1.039  -5.247
   78    HD3  ARG  10          1HD       ARG  10   0.103   2.469  -5.718
   79    HE   ARG  10           HE       ARG  10   2.674   3.239  -5.974
   80   HH11  ARG  10          1HH1      ARG  10   0.818   0.520  -7.314
   81   HH12  ARG  10          2HH1      ARG  10   1.725   0.429  -8.752
   82   HH21  ARG  10          1HH2      ARG  10   3.935   3.091  -7.983
   83   HH22  ARG  10          2HH2      ARG  10   3.543   1.910  -9.127
   84    H    ALA  11           H        PRG  11  -1.518   4.298  -0.722
   85    HA   ALA  11           HA       PRG  11  -2.780   2.053   0.639
   86    HB1  ALA  11          1HB       PRG  11  -3.452   3.464   2.475
   87    HB2  ALA  11          2HB       PRG  11  -2.781   4.893   1.746
   88    H    PHE  12           H        PHE  12  -4.966   2.074   0.805
   89    HA   PHE  12           HA       PHE  12  -6.397   3.882  -0.995
   90    HB2  PHE  12          2HB       PHE  12  -6.674   0.856  -1.008
   91    HB3  PHE  12          1HB       PHE  12  -7.618   1.977  -1.965
   92    HD1  PHE  12          1HD       PHE  12  -4.467   0.217  -1.654
   93    HD2  PHE  12          2HD       PHE  12  -6.569   3.195  -3.846
   94    HE1  PHE  12          1HE       PHE  12  -2.797   0.062  -3.452
   95    HE2  PHE  12          2HE       PHE  12  -4.898   3.046  -5.645
   96    HZ   PHE  12           HZ       PHE  12  -3.014   1.479  -5.447
   97    HA   PRO  13           HA       PRO  13  -9.165   4.184   2.381
   98    HB2  PRO  13          2HB       PRO  13 -11.489   4.826   1.181
   99    HB3  PRO  13          1HB       PRO  13 -10.105   5.925   1.231
  100    HG2  PRO  13          2HG       PRO  13 -10.989   4.100  -0.976
  101    HG3  PRO  13          1HG       PRO  13 -10.479   5.797  -1.065
  102    HD2  PRO  13          2HD       PRO  13  -8.821   3.767  -1.684
  103    HD3  PRO  13          1HD       PRO  13  -8.239   5.263  -0.930
  104    H    ASP  14           H        ASP  14  -9.258   1.439   0.666
  105    HA   ASP  14           HA       ASP  14 -11.790   0.490   1.814
  106    HB2  ASP  14          2HB       ASP  14 -11.618  -1.427   0.367
  107    HB3  ASP  14          1HB       ASP  14 -11.280  -0.005  -0.606
  108    H1   WMH 101          1HG       AZH   3  -2.357   2.062   4.911
  109    H2   WMH 101          2HG       AZH   3  -2.891   1.781   3.290
  110    H5   WMH 101           HD       PRG  11  -0.053   5.082   1.630
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -8.778   0.960   2.405
    2    HA2  GLY   1          2HA       GLY   1  -7.959   0.552   4.610
    3    HA3  GLY   1          1HA       GLY   1  -9.077  -0.803   4.716
    4    H    ARG   2           H        ARG   2  -6.627   0.169   2.361
    5    HA   ARG   2           HA       ARG   2  -5.301  -2.424   2.829
    6    HB2  ARG   2          2HB       ARG   2  -5.574  -1.090   0.155
    7    HB3  ARG   2          1HB       ARG   2  -4.881  -2.672   0.468
    8    HG2  ARG   2          2HG       ARG   2  -7.775  -1.898   0.740
    9    HG3  ARG   2          1HG       ARG   2  -7.061  -2.818  -0.582
   10    HD2  ARG   2          2HD       ARG   2  -6.528  -4.625   0.899
   11    HD3  ARG   2          1HD       ARG   2  -7.061  -3.681   2.298
   12    HE   ARG   2           HE       ARG   2  -9.218  -3.641   0.770
   13   HH11  ARG   2          1HH1      ARG   2  -7.192  -6.338   1.883
   14   HH12  ARG   2          2HH1      ARG   2  -8.438  -7.490   1.771
   15   HH21  ARG   2          1HH2      ARG   2 -10.918  -5.206   0.687
   16   HH22  ARG   2          2HH2      ARG   2 -10.616  -6.823   1.116
   17    H    ALA   3           H        AZH   3  -3.065  -2.251   2.718
   18    HA   ALA   3           HA       AZH   3  -1.827   0.219   1.867
   19    HB1  ALA   3          1HB       AZH   3  -0.542   0.047   4.211
   20    HB2  ALA   3          2HB       AZH   3  -2.093  -0.613   4.713
   21    H    THR   4           H        THR   4   0.134  -0.191   0.991
   22    HA   THR   4           HA       THR   4   0.948  -2.929   1.086
   23    HB   THR   4           HB       THR   4   2.685  -2.216  -0.593
   24    HG1  THR   4          1HG       THR   4   2.934  -0.194  -1.038
   25   HG21  THR   4          1HG2      THR   4  -0.184  -1.544  -1.266
   26   HG22  THR   4          2HG2      THR   4   0.543  -3.150  -1.325
   27   HG23  THR   4          3HG2      THR   4   1.088  -1.893  -2.436
   28    H    LYS   5           H        LYS   5   2.522  -3.732   2.155
   29    HA   LYS   5           HA       LYS   5   4.012  -2.048   3.998
   30    HB2  LYS   5          2HB       LYS   5   2.791  -4.101   4.700
   31    HB3  LYS   5          1HB       LYS   5   3.857  -5.055   3.692
   32    HG2  LYS   5          2HG       LYS   5   5.760  -4.450   5.089
   33    HG3  LYS   5          1HG       LYS   5   4.720  -3.421   6.079
   34    HD2  LYS   5          2HD       LYS   5   4.362  -6.399   5.717
   35    HD3  LYS   5          1HD       LYS   5   5.150  -5.645   7.101
   36    HE2  LYS   5          2HE       LYS   5   3.096  -4.518   7.709
   37    HE3  LYS   5          1HE       LYS   5   2.289  -5.109   6.265
   38    HZ1  LYS   5          1HZ       LYS   5   1.692  -6.378   8.194
   39    HZ2  LYS   5          2HZ       LYS   5   3.295  -6.820   8.474
   40    HZ3  LYS   5          3HZ       LYS   5   2.495  -7.349   7.093
   41    H    SER   6           H        SER   6   4.208  -3.131   0.953
   42    HA   SER   6           HA       SER   6   7.103  -3.249   0.909
   43    HB2  SER   6          2HB       SER   6   6.720  -4.284  -1.363
   44    HB3  SER   6          1HB       SER   6   6.149  -5.255  -0.006
   45    HG   SER   6           HG       SER   6   4.696  -3.788  -1.902
   46    H    ILE   7           H        ILE   7   8.147  -2.019  -0.697
   47    HA   ILE   7           HA       ILE   7   6.904   0.495  -1.212
   48    HB   ILE   7           HB       ILE   7   9.011   1.082  -2.403
   49   HG12  ILE   7          2HG1      ILE   7   9.881  -1.740  -1.692
   50   HG13  ILE   7          1HG1      ILE   7   9.527  -1.165  -3.315
   51   HG21  ILE   7          1HG2      ILE   7   8.856   1.470  -0.029
   52   HG22  ILE   7          2HG2      ILE   7  10.496   0.951  -0.434
   53   HG23  ILE   7          3HG2      ILE   7   9.366  -0.185   0.301
   54   HD11  ILE   7          1HD1      ILE   7  11.752  -0.203  -1.533
   55   HD12  ILE   7          2HD1      ILE   7  11.408   0.395  -3.153
   56   HD13  ILE   7          3HD1      ILE   7  11.919  -1.278  -2.921
   57    HA   PRO   8           HA       PRO   8   6.940   2.157  -2.608
   58    HB2  PRO   8          2HB       PRO   8   4.931   3.394  -3.943
   59    HB3  PRO   8          1HB       PRO   8   6.533   3.170  -4.652
   60    HG2  PRO   8          2HG       PRO   8   4.021   1.633  -5.112
   61    HG3  PRO   8          1HG       PRO   8   5.273   2.107  -6.271
   62    HD2  PRO   8          2HD       PRO   8   5.058  -0.398  -5.149
   63    HD3  PRO   8          1HD       PRO   8   6.566   0.275  -5.792
   64    HA   PRO   9           HA       PRO   9   3.640   1.351   0.347
   65    HB2  PRO   9          2HB       PRO   9   4.178   4.042   1.412
   66    HB3  PRO   9          1HB       PRO   9   4.347   2.479   2.215
   67    HG2  PRO   9          2HG       PRO   9   6.492   3.928   1.503
   68    HG3  PRO   9          1HG       PRO   9   6.493   2.157   1.428
   69    HD2  PRO   9          2HD       PRO   9   6.128   4.140  -0.791
   70    HD3  PRO   9          1HD       PRO   9   7.098   2.649  -0.744
   71    H    ARG  10           H        ARG  10   1.763   1.441  -0.646
   72    HA   ARG  10           HA       ARG  10   0.518   4.048  -1.153
   73    HB2  ARG  10          2HB       ARG  10   0.278   1.493  -2.733
   74    HB3  ARG  10          1HB       ARG  10  -0.736   2.905  -2.960
   75    HG2  ARG  10          2HG       ARG  10   1.236   4.203  -3.609
   76    HG3  ARG  10          1HG       ARG  10   2.239   2.766  -3.390
   77    HD2  ARG  10          2HD       ARG  10   1.626   3.120  -5.741
   78    HD3  ARG  10          1HD       ARG  10   1.003   1.602  -5.102
   79    HE   ARG  10           HE       ARG  10  -1.012   3.412  -4.714
   80   HH11  ARG  10          1HH1      ARG  10   0.772   2.323  -7.542
   81   HH12  ARG  10          2HH1      ARG  10  -0.569   2.410  -8.599
   82   HH21  ARG  10          1HH2      ARG  10  -2.815   3.598  -6.124
   83   HH22  ARG  10          2HH2      ARG  10  -2.676   3.179  -7.770
   84    H    ALA  11           H        PRG  11  -1.718   4.099  -0.664
   85    HA   ALA  11           HA       PRG  11  -2.687   1.733   0.698
   86    HB1  ALA  11          1HB       PRG  11  -3.606   3.012   2.547
   87    HB2  ALA  11          2HB       PRG  11  -3.028   4.521   1.922
   88    H    PHE  12           H        PHE  12  -4.915   1.628   0.852
   89    HA   PHE  12           HA       PHE  12  -6.233   3.189  -1.238
   90    HB2  PHE  12          2HB       PHE  12  -6.643   0.221  -0.719
   91    HB3  PHE  12          1HB       PHE  12  -7.498   1.189  -1.897
   92    HD1  PHE  12          1HD       PHE  12  -4.431  -0.689  -1.270
   93    HD2  PHE  12          2HD       PHE  12  -6.290   2.156  -3.840
   94    HE1  PHE  12          1HE       PHE  12  -2.746  -1.134  -2.969
   95    HE2  PHE  12          2HE       PHE  12  -4.592   1.701  -5.554
   96    HZ   PHE  12           HZ       PHE  12  -2.812   0.056  -5.119
   97    HA   PRO  13           HA       PRO  13  -9.030   4.495   1.866
   98    HB2  PRO  13          2HB       PRO  13 -11.197   4.249  -0.146
   99    HB3  PRO  13          1HB       PRO  13 -10.693   5.645   0.808
  100    HG2  PRO  13          2HG       PRO  13 -10.071   5.501  -1.765
  101    HG3  PRO  13          1HG       PRO  13  -8.906   6.130  -0.587
  102    HD2  PRO  13          2HD       PRO  13  -9.002   3.446  -1.906
  103    HD3  PRO  13          1HD       PRO  13  -7.612   4.496  -1.557
  104    H    ASP  14           H        ASP  14  -9.842   1.520   0.204
  105    HA   ASP  14           HA       ASP  14 -12.003   0.938   2.026
  106    HB2  ASP  14          2HB       ASP  14 -12.296  -1.144   0.893
  107    HB3  ASP  14          1HB       ASP  14 -11.969   0.062  -0.334
  108    H1   WMH 101          1HG       AZH   3  -2.530   1.705   5.101
  109    H2   WMH 101          2HG       AZH   3  -3.003   1.456   3.469
  110    H5   WMH 101           HD       PRG  11  -0.281   4.860   1.892
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -8.551   1.125   2.486
    2    HA2  GLY   1          2HA       GLY   1  -7.901   1.303   4.794
    3    HA3  GLY   1          1HA       GLY   1  -9.028   0.009   5.172
    4    H    ARG   2           H        ARG   2  -6.773   0.002   2.498
    5    HA   ARG   2           HA       ARG   2  -5.162  -1.966   3.904
    6    HB2  ARG   2          2HB       ARG   2  -6.540  -2.306   1.278
    7    HB3  ARG   2          1HB       ARG   2  -5.026  -3.144   1.590
    8    HG2  ARG   2          2HG       ARG   2  -5.953  -4.384   3.365
    9    HG3  ARG   2          1HG       ARG   2  -7.371  -3.341   3.455
   10    HD2  ARG   2          2HD       ARG   2  -7.747  -5.568   2.383
   11    HD3  ARG   2          1HD       ARG   2  -8.227  -4.181   1.413
   12    HE   ARG   2           HE       ARG   2  -5.767  -5.753   1.019
   13   HH11  ARG   2          1HH1      ARG   2  -8.355  -3.682  -0.236
   14   HH12  ARG   2          2HH1      ARG   2  -7.970  -3.959  -1.873
   15   HH21  ARG   2          1HH2      ARG   2  -5.236  -6.108  -1.209
   16   HH22  ARG   2          2HH2      ARG   2  -6.127  -5.367  -2.462
   17    H    ALA   3           H        AZH   3  -3.073  -1.892   3.556
   18    HA   ALA   3           HA       AZH   3  -2.000   0.078   1.675
   19    HB1  ALA   3          1HB       AZH   3  -0.247   0.366   3.599
   20    HB2  ALA   3          2HB       AZH   3  -1.534  -0.255   4.622
   21    H    THR   4           H        THR   4   0.046  -0.467   0.835
   22    HA   THR   4           HA       THR   4   0.653  -3.277   0.987
   23    HB   THR   4           HB       THR   4   2.365  -2.772  -0.738
   24    HG1  THR   4          1HG       THR   4   3.101  -0.811  -0.524
   25   HG21  THR   4          1HG2      THR   4  -0.322  -1.518  -1.331
   26   HG22  THR   4          2HG2      THR   4   0.070  -3.231  -1.475
   27   HG23  THR   4          3HG2      THR   4   0.845  -2.056  -2.538
   28    H    LYS   5           H        LYS   5   2.490  -4.141   1.887
   29    HA   LYS   5           HA       LYS   5   3.957  -2.399   3.689
   30    HB2  LYS   5          2HB       LYS   5   4.121  -5.392   3.259
   31    HB3  LYS   5          1HB       LYS   5   5.074  -4.520   4.442
   32    HG2  LYS   5          2HG       LYS   5   2.960  -3.791   5.537
   33    HG3  LYS   5          1HG       LYS   5   2.070  -4.797   4.403
   34    HD2  LYS   5          2HD       LYS   5   2.317  -5.996   6.479
   35    HD3  LYS   5          1HD       LYS   5   3.317  -6.773   5.260
   36    HE2  LYS   5          2HE       LYS   5   4.470  -6.603   7.416
   37    HE3  LYS   5          1HE       LYS   5   5.312  -5.696   6.169
   38    HZ1  LYS   5          1HZ       LYS   5   5.148  -4.520   8.313
   39    HZ2  LYS   5          2HZ       LYS   5   3.475  -4.465   8.185
   40    HZ3  LYS   5          3HZ       LYS   5   4.445  -3.656   7.075
   41    H    SER   6           H        SER   6   4.101  -3.543   0.577
   42    HA   SER   6           HA       SER   6   6.918  -3.563   0.238
   43    HB2  SER   6          2HB       SER   6   6.219  -3.692  -2.174
   44    HB3  SER   6          1HB       SER   6   5.550  -4.957  -1.136
   45    HG   SER   6           HG       SER   6   3.918  -4.180  -2.386
   46    H    ILE   7           H        ILE   7   8.097  -1.939  -0.842
   47    HA   ILE   7           HA       ILE   7   6.877   0.699  -0.777
   48    HB   ILE   7           HB       ILE   7   9.189   1.565  -1.134
   49   HG12  ILE   7          2HG1      ILE   7  10.039  -1.331  -0.832
   50   HG13  ILE   7          1HG1      ILE   7  10.106  -0.413  -2.331
   51   HG21  ILE   7          1HG2      ILE   7   8.865  -0.298   1.211
   52   HG22  ILE   7          2HG2      ILE   7   8.333   1.381   1.118
   53   HG23  ILE   7          3HG2      ILE   7  10.054   0.999   1.103
   54   HD11  ILE   7          1HD1      ILE   7  11.661   0.151   0.182
   55   HD12  ILE   7          2HD1      ILE   7  11.744   1.093  -1.306
   56   HD13  ILE   7          3HD1      ILE   7  12.291  -0.585  -1.292
   57    HA   PRO   8           HA       PRO   8   7.018   2.700  -1.741
   58    HB2  PRO   8          2HB       PRO   8   4.988   3.584  -3.626
   59    HB3  PRO   8          1HB       PRO   8   6.513   4.367  -3.209
   60    HG2  PRO   8          2HG       PRO   8   6.026   3.240  -5.639
   61    HG3  PRO   8          1HG       PRO   8   7.642   3.369  -4.936
   62    HD2  PRO   8          2HD       PRO   8   5.804   1.016  -5.042
   63    HD3  PRO   8          1HD       PRO   8   7.564   1.082  -5.269
   64    HA   PRO   9           HA       PRO   9   3.383   1.042   0.161
   65    HB2  PRO   9          2HB       PRO   9   2.843   3.064   1.903
   66    HB3  PRO   9          1HB       PRO   9   4.135   1.885   2.164
   67    HG2  PRO   9          2HG       PRO   9   4.299   4.688   1.158
   68    HG3  PRO   9          1HG       PRO   9   5.414   3.810   2.218
   69    HD2  PRO   9          2HD       PRO   9   5.854   4.227  -0.450
   70    HD3  PRO   9          1HD       PRO   9   6.523   2.859   0.459
   71    H    ARG  10           H        ARG  10   1.678   0.956  -1.088
   72    HA   ARG  10           HA       ARG  10   0.309   3.412  -1.894
   73    HB2  ARG  10          2HB       ARG  10  -0.098   0.543  -2.759
   74    HB3  ARG  10          1HB       ARG  10  -1.007   1.913  -3.363
   75    HG2  ARG  10          2HG       ARG  10   1.088   2.838  -4.290
   76    HG3  ARG  10          1HG       ARG  10   1.930   1.379  -3.755
   77    HD2  ARG  10          2HD       ARG  10   1.306   1.203  -6.113
   78    HD3  ARG  10          1HD       ARG  10   0.435   0.015  -5.145
   79    HE   ARG  10           HE       ARG  10  -1.104   2.339  -5.345
   80   HH11  ARG  10          1HH1      ARG  10  -0.002  -0.266  -7.494
   81   HH12  ARG  10          2HH1      ARG  10  -1.388  -0.213  -8.477
   82   HH21  ARG  10          1HH2      ARG  10  -2.964   2.423  -6.723
   83   HH22  ARG  10          2HH2      ARG  10  -3.102   1.354  -8.033
   84    H    ALA  11           H        PRG  11  -1.591   3.925  -0.911
   85    HA   ALA  11           HA       PRG  11  -2.738   1.797   0.697
   86    HB1  ALA  11          1HB       PRG  11  -3.447   3.356   2.390
   87    HB2  ALA  11          2HB       PRG  11  -2.840   4.734   1.529
   88    H    PHE  12           H        PHE  12  -4.777   1.472   0.603
   89    HA   PHE  12           HA       PHE  12  -6.177   2.943  -1.499
   90    HB2  PHE  12          2HB       PHE  12  -6.494   0.061  -0.624
   91    HB3  PHE  12          1HB       PHE  12  -7.410   0.847  -1.903
   92    HD1  PHE  12          1HD       PHE  12  -6.342   1.419  -4.027
   93    HD2  PHE  12          2HD       PHE  12  -4.216  -0.635  -0.971
   94    HE1  PHE  12          1HE       PHE  12  -4.618   0.786  -5.658
   95    HE2  PHE  12          2HE       PHE  12  -2.488  -1.276  -2.598
   96    HZ   PHE  12           HZ       PHE  12  -2.683  -0.566  -4.943
   97    HA   PRO  13           HA       PRO  13  -8.980   4.456   1.485
   98    HB2  PRO  13          2HB       PRO  13 -11.251   4.704   0.000
   99    HB3  PRO  13          1HB       PRO  13  -9.862   5.787  -0.134
  100    HG2  PRO  13          2HG       PRO  13 -10.590   3.434  -1.836
  101    HG3  PRO  13          1HG       PRO  13 -10.032   5.043  -2.335
  102    HD2  PRO  13          2HD       PRO  13  -8.359   2.953  -2.265
  103    HD3  PRO  13          1HD       PRO  13  -7.827   4.581  -1.802
  104    H    ASP  14           H        ASP  14  -9.418   1.325   0.320
  105    HA   ASP  14           HA       ASP  14 -11.824   0.861   1.839
  106    HB2  ASP  14          2HB       ASP  14 -11.627  -1.482   1.194
  107    HB3  ASP  14          1HB       ASP  14 -11.414  -0.464  -0.216
  108    H1   WMH 101          1HG       AZH   3  -2.294   1.954   4.761
  109    H2   WMH 101          2HG       AZH   3  -2.764   1.658   3.129
  110    H5   WMH 101           HD       PRG  11  -0.169   5.128   1.501
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -8.560   0.995   2.464
    2    HA2  GLY   1          2HA       GLY   1  -7.481   0.911   4.573
    3    HA3  GLY   1          1HA       GLY   1  -8.458  -0.488   4.987
    4    H    ARG   2           H        ARG   2  -6.636   0.050   2.034
    5    HA   ARG   2           HA       ARG   2  -5.002  -2.278   2.786
    6    HB2  ARG   2          2HB       ARG   2  -5.709  -1.362  -0.003
    7    HB3  ARG   2          1HB       ARG   2  -4.699  -2.735   0.405
    8    HG2  ARG   2          2HG       ARG   2  -6.623  -3.803   1.479
    9    HG3  ARG   2          1HG       ARG   2  -7.626  -2.432   0.996
   10    HD2  ARG   2          2HD       ARG   2  -7.023  -2.886  -1.360
   11    HD3  ARG   2          1HD       ARG   2  -6.147  -4.318  -0.820
   12    HE   ARG   2           HE       ARG   2  -8.979  -3.946  -0.248
   13   HH11  ARG   2          1HH1      ARG   2  -6.349  -5.901  -1.635
   14   HH12  ARG   2          2HH1      ARG   2  -7.325  -7.200  -2.104
   15   HH21  ARG   2          1HH2      ARG   2 -10.383  -5.755  -0.972
   16   HH22  ARG   2          2HH2      ARG   2  -9.682  -7.109  -1.734
   17    H    ALA   3           H        AZH   3  -3.155  -1.528   3.457
   18    HA   ALA   3           HA       AZH   3  -1.770   0.485   1.840
   19    HB1  ALA   3          1HB       AZH   3  -0.397   0.639   4.073
   20    HB2  ALA   3          2HB       AZH   3  -1.837  -0.071   4.787
   21    H    THR   4           H        THR   4   0.136  -0.096   0.955
   22    HA   THR   4           HA       THR   4   0.736  -2.866   0.977
   23    HB   THR   4           HB       THR   4   2.576  -2.117  -0.619
   24    HG1  THR   4          1HG       THR   4   2.798  -0.064  -1.027
   25   HG21  THR   4          1HG2      THR   4   0.988  -1.639  -2.435
   26   HG22  THR   4          2HG2      THR   4  -0.273  -1.316  -1.245
   27   HG23  THR   4          3HG2      THR   4   0.396  -2.939  -1.400
   28    H    LYS   5           H        LYS   5   2.296  -3.920   2.004
   29    HA   LYS   5           HA       LYS   5   3.883  -2.492   3.951
   30    HB2  LYS   5          2HB       LYS   5   4.625  -4.696   4.722
   31    HB3  LYS   5          1HB       LYS   5   2.880  -4.660   4.590
   32    HG2  LYS   5          2HG       LYS   5   3.018  -5.900   2.478
   33    HG3  LYS   5          1HG       LYS   5   4.775  -5.930   2.613
   34    HD2  LYS   5          2HD       LYS   5   4.515  -7.110   4.795
   35    HD3  LYS   5          1HD       LYS   5   2.781  -7.193   4.495
   36    HE2  LYS   5          2HE       LYS   5   3.832  -9.292   3.869
   37    HE3  LYS   5          1HE       LYS   5   3.218  -8.475   2.434
   38    HZ1  LYS   5          1HZ       LYS   5   6.060  -8.419   3.326
   39    HZ2  LYS   5          2HZ       LYS   5   5.442  -7.756   1.899
   40    HZ3  LYS   5          3HZ       LYS   5   5.446  -9.410   2.117
   41    H    SER   6           H        SER   6   4.236  -3.874   0.824
   42    HA   SER   6           HA       SER   6   7.113  -3.681   0.869
   43    HB2  SER   6          2HB       SER   6   6.821  -4.454  -1.527
   44    HB3  SER   6          1HB       SER   6   6.205  -5.570  -0.307
   45    HG   SER   6           HG       SER   6   4.951  -4.578  -2.339
   46    H    ILE   7           H        ILE   7   8.089  -2.424  -1.074
   47    HA   ILE   7           HA       ILE   7   6.859   0.180  -0.965
   48    HB   ILE   7           HB       ILE   7   8.893   1.022  -2.097
   49   HG12  ILE   7          2HG1      ILE   7   9.923  -1.813  -1.874
   50   HG13  ILE   7          1HG1      ILE   7   9.403  -1.067  -3.383
   51   HG21  ILE   7          1HG2      ILE   7   8.810   0.972   0.319
   52   HG22  ILE   7          2HG2      ILE   7  10.450   0.641  -0.236
   53   HG23  ILE   7          3HG2      ILE   7   9.429  -0.680   0.333
   54   HD11  ILE   7          1HD1      ILE   7  11.198   0.584  -3.142
   55   HD12  ILE   7          2HD1      ILE   7  11.813  -1.069  -3.183
   56   HD13  ILE   7          3HD1      ILE   7  11.704  -0.207  -1.649
   57    HA   PRO   8           HA       PRO   8   6.952   1.996  -1.976
   58    HB2  PRO   8          2HB       PRO   8   5.059   3.461  -3.541
   59    HB3  PRO   8          1HB       PRO   8   6.814   3.618  -3.563
   60    HG2  PRO   8          2HG       PRO   8   5.311   2.669  -5.680
   61    HG3  PRO   8          1HG       PRO   8   7.028   2.320  -5.422
   62    HD2  PRO   8          2HD       PRO   8   4.641   0.643  -4.743
   63    HD3  PRO   8          1HD       PRO   8   6.195   0.153  -5.459
   64    HA   PRO   9           HA       PRO   9   3.277   1.533   0.502
   65    HB2  PRO   9          2HB       PRO   9   3.295   3.888   1.860
   66    HB3  PRO   9          1HB       PRO   9   4.372   2.549   2.258
   67    HG2  PRO   9          2HG       PRO   9   4.925   5.039   0.717
   68    HG3  PRO   9          1HG       PRO   9   5.970   4.165   1.848
   69    HD2  PRO   9          2HD       PRO   9   6.214   3.998  -0.866
   70    HD3  PRO   9          1HD       PRO   9   6.684   2.691   0.238
   71    H    ARG  10           H        ARG  10   1.532   1.567  -0.747
   72    HA   ARG  10           HA       ARG  10   0.331   4.168  -1.367
   73    HB2  ARG  10          2HB       ARG  10   0.054   1.595  -2.954
   74    HB3  ARG  10          1HB       ARG  10  -0.746   3.114  -3.319
   75    HG2  ARG  10          2HG       ARG  10   2.208   2.543  -3.459
   76    HG3  ARG  10          1HG       ARG  10   1.108   2.821  -4.813
   77    HD2  ARG  10          2HD       ARG  10   0.725   5.100  -4.061
   78    HD3  ARG  10          1HD       ARG  10   1.738   4.827  -2.652
   79    HE   ARG  10           HE       ARG  10   2.712   4.770  -5.412
   80   HH11  ARG  10          1HH1      ARG  10   3.243   5.472  -1.963
   81   HH12  ARG  10          2HH1      ARG  10   4.725   6.266  -2.214
   82   HH21  ARG  10          1HH2      ARG  10   4.769   5.900  -5.735
   83   HH22  ARG  10          2HH2      ARG  10   5.599   6.541  -4.410
   84    H    ALA  11           H        PRG  11  -1.666   4.418  -0.622
   85    HA   ALA  11           HA       PRG  11  -2.769   2.072   0.697
   86    HB1  ALA  11          1HB       PRG  11  -3.643   3.448   2.472
   87    HB2  ALA  11          2HB       PRG  11  -3.088   4.919   1.724
   88    H    PHE  12           H        PHE  12  -4.845   1.739   0.635
   89    HA   PHE  12           HA       PHE  12  -6.308   3.274  -1.393
   90    HB2  PHE  12          2HB       PHE  12  -6.440   0.288  -0.890
   91    HB3  PHE  12          1HB       PHE  12  -7.400   1.168  -2.069
   92    HD1  PHE  12          1HD       PHE  12  -4.260  -0.458  -1.426
   93    HD2  PHE  12          2HD       PHE  12  -6.232   2.334  -3.966
   94    HE1  PHE  12          1HE       PHE  12  -2.493  -0.746  -3.108
   95    HE2  PHE  12          2HE       PHE  12  -4.466   2.049  -5.655
   96    HZ   PHE  12           HZ       PHE  12  -2.594   0.505  -5.227
   97    HA   PRO  13           HA       PRO  13  -9.507   4.483   1.305
   98    HB2  PRO  13          2HB       PRO  13 -11.298   3.102  -0.631
   99    HB3  PRO  13          1HB       PRO  13 -11.456   4.706   0.097
  100    HG2  PRO  13          2HG       PRO  13 -10.553   4.430  -2.380
  101    HG3  PRO  13          1HG       PRO  13  -9.844   5.629  -1.286
  102    HD2  PRO  13          2HD       PRO  13  -8.728   3.062  -2.254
  103    HD3  PRO  13          1HD       PRO  13  -7.900   4.540  -1.739
  104    H    ASP  14           H        ASP  14  -9.977   1.118   0.190
  105    HA   ASP  14           HA       ASP  14 -11.751   0.589   2.384
  106    HB2  ASP  14          2HB       ASP  14 -11.981  -1.678   1.621
  107    HB3  ASP  14          1HB       ASP  14 -11.964  -0.641   0.208
  108    H1   WMH 101          1HG       AZH   3  -2.534   2.189   4.945
  109    H2   WMH 101          2HG       AZH   3  -2.930   1.827   3.311
  110    H5   WMH 101           HD       PRG  11  -0.359   5.337   1.678
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -8.675   1.540   2.747
    2    HA2  GLY   1          2HA       GLY   1  -7.557   0.982   4.709
    3    HA3  GLY   1          1HA       GLY   1  -8.862  -0.124   5.119
    4    H    ARG   2           H        ARG   2  -6.231   0.294   2.812
    5    HA   ARG   2           HA       ARG   2  -5.447  -2.465   3.192
    6    HB2  ARG   2          2HB       ARG   2  -7.223  -2.266   1.320
    7    HB3  ARG   2          1HB       ARG   2  -5.965  -1.442   0.424
    8    HG2  ARG   2          2HG       ARG   2  -4.535  -3.416   0.575
    9    HG3  ARG   2          1HG       ARG   2  -5.829  -4.271   1.422
   10    HD2  ARG   2          2HD       ARG   2  -5.883  -3.190  -1.393
   11    HD3  ARG   2          1HD       ARG   2  -5.944  -4.881  -0.893
   12    HE   ARG   2           HE       ARG   2  -8.088  -3.408   0.237
   13   HH11  ARG   2          1HH1      ARG   2  -7.101  -4.900  -2.817
   14   HH12  ARG   2          2HH1      ARG   2  -8.683  -5.076  -3.401
   15   HH21  ARG   2          1HH2      ARG   2 -10.185  -3.514  -0.565
   16   HH22  ARG   2          2HH2      ARG   2 -10.522  -4.264  -2.076
   17    H    ALA   3           H        AZH   3  -3.303  -2.290   3.394
   18    HA   ALA   3           HA       AZH   3  -1.936  -0.225   1.848
   19    HB1  ALA   3          1HB       AZH   3  -0.468  -0.170   4.070
   20    HB2  ALA   3          2HB       AZH   3  -2.006  -0.617   4.789
   21    H    THR   4           H        THR   4  -0.159  -0.886   0.876
   22    HA   THR   4           HA       THR   4   0.676  -3.590   1.356
   23    HB   THR   4           HB       THR   4   2.155  -3.168  -0.644
   24    HG1  THR   4          1HG       THR   4   2.157  -1.326  -1.629
   25   HG21  THR   4          1HG2      THR   4  -0.055  -4.172  -0.944
   26   HG22  THR   4          2HG2      THR   4   0.331  -3.100  -2.294
   27   HG23  THR   4          3HG2      THR   4  -0.778  -2.566  -1.033
   28    H    LYS   5           H        LYS   5   2.688  -4.120   2.102
   29    HA   LYS   5           HA       LYS   5   3.939  -2.015   3.629
   30    HB2  LYS   5          2HB       LYS   5   5.273  -3.815   4.654
   31    HB3  LYS   5          1HB       LYS   5   3.550  -4.092   4.797
   32    HG2  LYS   5          2HG       LYS   5   3.672  -5.711   2.950
   33    HG3  LYS   5          1HG       LYS   5   5.407  -5.428   2.837
   34    HD2  LYS   5          2HD       LYS   5   5.720  -6.238   5.100
   35    HD3  LYS   5          1HD       LYS   5   3.978  -6.437   5.291
   36    HE2  LYS   5          2HE       LYS   5   3.965  -8.113   3.532
   37    HE3  LYS   5          1HE       LYS   5   5.696  -7.898   3.289
   38    HZ1  LYS   5          1HZ       LYS   5   6.086  -8.696   5.515
   39    HZ2  LYS   5          2HZ       LYS   5   5.169  -9.830   4.667
   40    HZ3  LYS   5          3HZ       LYS   5   4.436  -8.843   5.805
   41    H    SER   6           H        SER   6   4.344  -3.613   0.672
   42    HA   SER   6           HA       SER   6   7.134  -3.248   0.383
   43    HB2  SER   6          2HB       SER   6   6.567  -3.657  -2.041
   44    HB3  SER   6          1HB       SER   6   6.034  -4.921  -0.929
   45    HG   SER   6           HG       SER   6   4.352  -2.780  -1.675
   46    H    ILE   7           H        ILE   7   8.209  -1.543  -0.478
   47    HA   ILE   7           HA       ILE   7   6.739   0.966  -0.667
   48    HB   ILE   7           HB       ILE   7   9.725   0.398  -0.424
   49   HG12  ILE   7          2HG1      ILE   7   7.739   1.354   1.651
   50   HG13  ILE   7          1HG1      ILE   7   8.438  -0.256   1.568
   51   HG21  ILE   7          1HG2      ILE   7   9.992   2.767   0.068
   52   HG22  ILE   7          2HG2      ILE   7   8.268   3.028  -0.157
   53   HG23  ILE   7          3HG2      ILE   7   9.271   2.551  -1.532
   54   HD11  ILE   7          1HD1      ILE   7   9.505   1.103   3.277
   55   HD12  ILE   7          2HD1      ILE   7   9.948   2.302   2.060
   56   HD13  ILE   7          3HD1      ILE   7  10.647   0.683   1.997
   57    HA   PRO   8           HA       PRO   8   6.871   3.073  -1.696
   58    HB2  PRO   8          2HB       PRO   8   5.160   3.501  -4.056
   59    HB3  PRO   8          1HB       PRO   8   6.286   4.620  -3.288
   60    HG2  PRO   8          2HG       PRO   8   6.821   3.546  -5.677
   61    HG3  PRO   8          1HG       PRO   8   8.101   3.822  -4.483
   62    HD2  PRO   8          2HD       PRO   8   6.666   1.273  -5.154
   63    HD3  PRO   8          1HD       PRO   8   8.404   1.559  -4.915
   64    HA   PRO   9           HA       PRO   9   3.405   0.634  -0.411
   65    HB2  PRO   9          2HB       PRO   9   2.548   2.223   1.604
   66    HB3  PRO   9          1HB       PRO   9   4.008   1.233   1.733
   67    HG2  PRO   9          2HG       PRO   9   3.745   4.150   1.129
   68    HG3  PRO   9          1HG       PRO   9   4.908   3.330   2.184
   69    HD2  PRO   9          2HD       PRO   9   5.506   4.142  -0.330
   70    HD3  PRO   9          1HD       PRO   9   6.261   2.737   0.452
   71    H    ARG  10           H        ARG  10   1.353   0.519  -1.043
   72    HA   ARG  10           HA       ARG  10   0.089   2.953  -2.076
   73    HB2  ARG  10          2HB       ARG  10   0.588   1.195  -3.762
   74    HB3  ARG  10          1HB       ARG  10  -0.372   0.060  -2.830
   75    HG2  ARG  10          2HG       ARG  10  -2.361   1.470  -3.211
   76    HG3  ARG  10          1HG       ARG  10  -1.379   2.544  -4.211
   77    HD2  ARG  10          2HD       ARG  10  -0.856   0.618  -5.686
   78    HD3  ARG  10          1HD       ARG  10  -1.922  -0.374  -4.699
   79    HE   ARG  10           HE       ARG  10  -3.216   1.964  -5.699
   80   HH11  ARG  10          1HH1      ARG  10  -2.298  -1.365  -6.540
   81   HH12  ARG  10          2HH1      ARG  10  -3.518  -1.544  -7.712
   82   HH21  ARG  10          1HH2      ARG  10  -4.857   1.718  -7.307
   83   HH22  ARG  10          2HH2      ARG  10  -5.000   0.264  -8.187
   84    H    ALA  11           H        PRG  11  -1.549   3.617  -0.816
   85    HA   ALA  11           HA       PRG  11  -2.833   1.553   0.761
   86    HB1  ALA  11          1HB       PRG  11  -3.321   3.164   2.499
   87    HB2  ALA  11          2HB       PRG  11  -2.562   4.458   1.602
   88    H    PHE  12           H        PHE  12  -4.763   1.272   0.585
   89    HA   PHE  12           HA       PHE  12  -6.200   2.716  -1.487
   90    HB2  PHE  12          2HB       PHE  12  -6.872   0.163  -0.024
   91    HB3  PHE  12          1HB       PHE  12  -7.822   0.852  -1.317
   92    HD1  PHE  12          1HD       PHE  12  -7.439   0.243  -3.499
   93    HD2  PHE  12          2HD       PHE  12  -4.371  -0.458  -0.637
   94    HE1  PHE  12          1HE       PHE  12  -6.166  -1.016  -5.171
   95    HE2  PHE  12          2HE       PHE  12  -3.095  -1.717  -2.307
   96    HZ   PHE  12           HZ       PHE  12  -3.994  -1.998  -4.580
   97    HA   PRO  13           HA       PRO  13  -8.774   4.897   1.405
   98    HB2  PRO  13          2HB       PRO  13 -11.068   4.541  -0.386
   99    HB3  PRO  13          1HB       PRO  13 -10.238   6.023   0.082
  100    HG2  PRO  13          2HG       PRO  13 -10.029   4.996  -2.401
  101    HG3  PRO  13          1HG       PRO  13  -8.697   5.864  -1.622
  102    HD2  PRO  13          2HD       PRO  13  -9.088   2.928  -1.994
  103    HD3  PRO  13          1HD       PRO  13  -7.613   3.909  -2.102
  104    H    ASP  14           H        ASP  14  -9.528   1.683   0.478
  105    HA   ASP  14           HA       ASP  14 -11.778   1.531   2.344
  106    HB2  ASP  14          2HB       ASP  14 -12.184  -0.708   1.468
  107    HB3  ASP  14          1HB       ASP  14 -12.121   0.465   0.163
  108    H1   WMH 101          1HG       AZH   3  -2.319   1.720   4.829
  109    H2   WMH 101          2HG       AZH   3  -2.819   1.332   3.225
  110    H5   WMH 101           HD       PRG  11   0.134   4.447   1.419
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -8.357   1.234   2.631
    2    HA2  GLY   1          2HA       GLY   1  -7.309   0.941   4.768
    3    HA3  GLY   1          1HA       GLY   1  -8.265  -0.523   4.973
    4    H    ARG   2           H        ARG   2  -7.387  -0.676   1.869
    5    HA   ARG   2           HA       ARG   2  -5.390  -2.625   2.339
    6    HB2  ARG   2          2HB       ARG   2  -6.925  -2.754   0.416
    7    HB3  ARG   2          1HB       ARG   2  -6.223  -1.296  -0.243
    8    HG2  ARG   2          2HG       ARG   2  -4.121  -2.404  -0.616
    9    HG3  ARG   2          1HG       ARG   2  -4.714  -3.861   0.186
   10    HD2  ARG   2          2HD       ARG   2  -6.400  -4.153  -1.526
   11    HD3  ARG   2          1HD       ARG   2  -5.894  -2.657  -2.314
   12    HE   ARG   2           HE       ARG   2  -3.702  -3.798  -2.617
   13   HH11  ARG   2          1HH1      ARG   2  -6.675  -5.716  -2.390
   14   HH12  ARG   2          2HH1      ARG   2  -6.095  -6.980  -3.359
   15   HH21  ARG   2          1HH2      ARG   2  -2.921  -5.563  -3.982
   16   HH22  ARG   2          2HH2      ARG   2  -3.947  -6.879  -4.304
   17    H    ALA   3           H        AZH   3  -3.327  -2.357   2.670
   18    HA   ALA   3           HA       AZH   3  -1.900  -0.088   1.563
   19    HB1  ALA   3          1HB       AZH   3  -0.691  -0.217   3.959
   20    HB2  ALA   3          2HB       AZH   3  -2.314  -0.681   4.444
   21    H    THR   4           H        THR   4   0.099  -0.567   0.904
   22    HA   THR   4           HA       THR   4   0.807  -3.315   0.765
   23    HB   THR   4           HB       THR   4   2.815  -2.397  -0.441
   24    HG1  THR   4          1HG       THR   4   3.231  -0.427   0.002
   25   HG21  THR   4          1HG2      THR   4   0.111  -1.428  -1.356
   26   HG22  THR   4          2HG2      THR   4   0.804  -3.021  -1.659
   27   HG23  THR   4          3HG2      THR   4   1.536  -1.589  -2.380
   28    H    LYS   5           H        LYS   5   2.547  -4.320   1.731
   29    HA   LYS   5           HA       LYS   5   3.496  -3.109   4.170
   30    HB2  LYS   5          2HB       LYS   5   4.616  -5.257   4.591
   31    HB3  LYS   5          1HB       LYS   5   2.936  -5.524   4.160
   32    HG2  LYS   5          2HG       LYS   5   3.614  -6.130   1.891
   33    HG3  LYS   5          1HG       LYS   5   5.299  -5.845   2.320
   34    HD2  LYS   5          2HD       LYS   5   5.121  -7.625   4.030
   35    HD3  LYS   5          1HD       LYS   5   3.465  -7.924   3.508
   36    HE2  LYS   5          2HE       LYS   5   4.260  -8.463   1.263
   37    HE3  LYS   5          1HE       LYS   5   5.915  -8.141   1.774
   38    HZ1  LYS   5          1HZ       LYS   5   5.426 -10.485   1.753
   39    HZ2  LYS   5          2HZ       LYS   5   4.160 -10.278   2.837
   40    HZ3  LYS   5          3HZ       LYS   5   5.740  -9.991   3.332
   41    H    SER   6           H        SER   6   4.498  -3.558   0.949
   42    HA   SER   6           HA       SER   6   7.228  -2.825   1.581
   43    HB2  SER   6          2HB       SER   6   7.617  -3.678  -0.789
   44    HB3  SER   6          1HB       SER   6   7.148  -4.882   0.411
   45    HG   SER   6           HG       SER   6   5.831  -4.019  -1.820
   46    H    ILE   7           H        ILE   7   8.250  -1.409  -0.089
   47    HA   ILE   7           HA       ILE   7   6.476   0.796  -0.739
   48    HB   ILE   7           HB       ILE   7   8.556   2.065  -1.224
   49   HG12  ILE   7          2HG1      ILE   7   9.996  -0.464  -0.359
   50   HG13  ILE   7          1HG1      ILE   7   9.955   0.176  -1.995
   51   HG21  ILE   7          1HG2      ILE   7   9.394   2.169   1.068
   52   HG22  ILE   7          2HG2      ILE   7   8.549   0.666   1.436
   53   HG23  ILE   7          3HG2      ILE   7   7.632   2.113   1.011
   54   HD11  ILE   7          1HD1      ILE   7  11.163   2.168  -1.239
   55   HD12  ILE   7          2HD1      ILE   7  12.061   0.686  -0.902
   56   HD13  ILE   7          3HD1      ILE   7  11.201   1.512   0.397
   57    HA   PRO   8           HA       PRO   8   6.927   2.737  -2.289
   58    HB2  PRO   8          2HB       PRO   8   5.041   3.517  -4.082
   59    HB3  PRO   8          1HB       PRO   8   6.769   3.566  -4.437
   60    HG2  PRO   8          2HG       PRO   8   4.743   1.500  -5.183
   61    HG3  PRO   8          1HG       PRO   8   6.017   2.222  -6.183
   62    HD2  PRO   8          2HD       PRO   8   6.294  -0.213  -5.058
   63    HD3  PRO   8          1HD       PRO   8   7.669   0.893  -5.264
   64    HA   PRO   9           HA       PRO   9   3.356   1.679   0.180
   65    HB2  PRO   9          2HB       PRO   9   3.039   4.582   0.595
   66    HB3  PRO   9          1HB       PRO   9   3.324   3.297   1.776
   67    HG2  PRO   9          2HG       PRO   9   5.239   5.056   1.142
   68    HG3  PRO   9          1HG       PRO   9   5.610   3.358   1.498
   69    HD2  PRO   9          2HD       PRO   9   5.428   4.741  -1.149
   70    HD3  PRO   9          1HD       PRO   9   6.581   3.517  -0.565
   71    H    ARG  10           H        ARG  10   1.614   1.104  -0.906
   72    HA   ARG  10           HA       ARG  10   0.154   3.211  -2.291
   73    HB2  ARG  10          2HB       ARG  10   0.992   1.436  -3.831
   74    HB3  ARG  10          1HB       ARG  10   0.090   0.245  -2.910
   75    HG2  ARG  10          2HG       ARG  10  -1.106   0.848  -4.935
   76    HG3  ARG  10          1HG       ARG  10  -2.003   1.359  -3.505
   77    HD2  ARG  10          2HD       ARG  10  -1.028   3.637  -3.780
   78    HD3  ARG  10          1HD       ARG  10  -0.294   3.096  -5.284
   79    HE   ARG  10           HE       ARG  10  -2.602   2.684  -6.061
   80   HH11  ARG  10          1HH1      ARG  10  -2.040   5.015  -3.428
   81   HH12  ARG  10          2HH1      ARG  10  -3.399   5.954  -3.809
   82   HH21  ARG  10          1HH2      ARG  10  -4.431   4.029  -6.568
   83   HH22  ARG  10          2HH2      ARG  10  -4.789   5.407  -5.636
   84    H    ALA  11           H        PRG  11  -1.543   3.821  -1.074
   85    HA   ALA  11           HA       PRG  11  -2.876   1.674   0.351
   86    HB1  ALA  11          1HB       PRG  11  -3.403   3.112   2.203
   87    HB2  ALA  11          2HB       PRG  11  -2.626   4.493   1.496
   88    H    PHE  12           H        PHE  12  -4.972   1.710   0.566
   89    HA   PHE  12           HA       PHE  12  -6.456   3.453  -1.275
   90    HB2  PHE  12          2HB       PHE  12  -6.875   0.522  -0.662
   91    HB3  PHE  12          1HB       PHE  12  -7.964   1.496  -1.628
   92    HD1  PHE  12          1HD       PHE  12  -4.761  -0.235  -1.538
   93    HD2  PHE  12          2HD       PHE  12  -7.326   2.254  -3.847
   94    HE1  PHE  12          1HE       PHE  12  -3.450  -0.757  -3.548
   95    HE2  PHE  12          2HE       PHE  12  -6.020   1.737  -5.857
   96    HZ   PHE  12           HZ       PHE  12  -4.083   0.227  -5.707
   97    HA   PRO  13           HA       PRO  13  -8.956   4.703   2.100
   98    HB2  PRO  13          2HB       PRO  13 -11.429   4.859   0.986
   99    HB3  PRO  13          1HB       PRO  13 -10.144   6.034   0.678
  100    HG2  PRO  13          2HG       PRO  13 -10.992   3.678  -0.968
  101    HG3  PRO  13          1HG       PRO  13 -10.623   5.330  -1.498
  102    HD2  PRO  13          2HD       PRO  13  -8.840   3.360  -1.767
  103    HD3  PRO  13          1HD       PRO  13  -8.326   5.001  -1.332
  104    H    ASP  14           H        ASP  14  -9.548   1.644   0.693
  105    HA   ASP  14           HA       ASP  14 -11.666   0.971   2.568
  106    HB2  ASP  14          2HB       ASP  14 -11.762  -1.181   1.550
  107    HB3  ASP  14          1HB       ASP  14 -11.533  -0.029   0.237
  108    H1   WMH 101          1HG       AZH   3  -2.425   1.677   4.692
  109    H2   WMH 101          2HG       AZH   3  -3.020   1.394   3.082
  110    H5   WMH 101           HD       PRG  11   0.140   4.351   1.265
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -8.388   0.994   2.476
    2    HA2  GLY   1          2HA       GLY   1  -7.682   0.926   4.928
    3    HA3  GLY   1          1HA       GLY   1  -8.477  -0.636   4.914
    4    H    ARG   2           H        ARG   2  -7.495  -0.910   2.034
    5    HA   ARG   2           HA       ARG   2  -5.257  -2.479   2.619
    6    HB2  ARG   2          2HB       ARG   2  -6.215  -1.404  -0.017
    7    HB3  ARG   2          1HB       ARG   2  -4.867  -2.517   0.144
    8    HG2  ARG   2          2HG       ARG   2  -7.678  -3.045   1.038
    9    HG3  ARG   2          1HG       ARG   2  -6.965  -3.623  -0.466
   10    HD2  ARG   2          2HD       ARG   2  -5.264  -4.834   0.846
   11    HD3  ARG   2          1HD       ARG   2  -6.055  -4.300   2.328
   12    HE   ARG   2           HE       ARG   2  -7.940  -5.503   0.702
   13   HH11  ARG   2          1HH1      ARG   2  -5.083  -6.411   2.610
   14   HH12  ARG   2          2HH1      ARG   2  -5.657  -7.985   2.938
   15   HH21  ARG   2          1HH2      ARG   2  -8.656  -7.709   1.118
   16   HH22  ARG   2          2HH2      ARG   2  -7.679  -8.729   2.068
   17    H    ALA   3           H        AZH   3  -3.244  -2.125   2.823
   18    HA   ALA   3           HA       AZH   3  -1.885   0.068   1.511
   19    HB1  ALA   3          1HB       AZH   3  -0.589   0.168   3.865
   20    HB2  ALA   3          2HB       AZH   3  -2.158  -0.329   4.476
   21    H    THR   4           H        THR   4   0.046  -0.670   0.727
   22    HA   THR   4           HA       THR   4   0.633  -3.439   1.279
   23    HB   THR   4           HB       THR   4   2.323  -3.147  -0.590
   24    HG1  THR   4          1HG       THR   4   2.547  -1.311  -1.525
   25   HG21  THR   4          1HG2      THR   4   0.634  -3.073  -2.376
   26   HG22  THR   4          2HG2      THR   4  -0.548  -2.442  -1.228
   27   HG23  THR   4          3HG2      THR   4   0.094  -4.072  -1.025
   28    H    LYS   5           H        LYS   5   2.664  -4.165   1.976
   29    HA   LYS   5           HA       LYS   5   3.886  -2.263   3.761
   30    HB2  LYS   5          2HB       LYS   5   5.046  -4.140   4.783
   31    HB3  LYS   5          1HB       LYS   5   3.329  -4.463   4.667
   32    HG2  LYS   5          2HG       LYS   5   3.759  -5.893   2.702
   33    HG3  LYS   5          1HG       LYS   5   5.487  -5.594   2.895
   34    HD2  LYS   5          2HD       LYS   5   3.687  -6.894   4.947
   35    HD3  LYS   5          1HD       LYS   5   4.777  -7.756   3.874
   36    HE2  LYS   5          2HE       LYS   5   5.586  -5.752   5.998
   37    HE3  LYS   5          1HE       LYS   5   5.718  -7.495   6.124
   38    HZ1  LYS   5          1HZ       LYS   5   7.179  -5.826   4.137
   39    HZ2  LYS   5          2HZ       LYS   5   7.341  -7.494   4.332
   40    HZ3  LYS   5          3HZ       LYS   5   7.827  -6.454   5.545
   41    H    SER   6           H        SER   6   4.598  -3.734   0.732
   42    HA   SER   6           HA       SER   6   7.388  -3.189   0.818
   43    HB2  SER   6          2HB       SER   6   6.973  -3.687  -1.722
   44    HB3  SER   6          1HB       SER   6   6.844  -4.994  -0.545
   45    HG   SER   6           HG       SER   6   4.989  -4.101  -2.218
   46    H    ILE   7           H        ILE   7   8.434  -1.482  -0.242
   47    HA   ILE   7           HA       ILE   7   6.802   0.883  -0.566
   48    HB   ILE   7           HB       ILE   7   8.958   2.101  -0.865
   49   HG12  ILE   7          2HG1      ILE   7  10.214  -0.612  -0.338
   50   HG13  ILE   7          1HG1      ILE   7  10.294   0.284  -1.847
   51   HG21  ILE   7          1HG2      ILE   7   7.974   1.927   1.337
   52   HG22  ILE   7          2HG2      ILE   7   9.732   1.843   1.452
   53   HG23  ILE   7          3HG2      ILE   7   8.769   0.374   1.588
   54   HD11  ILE   7          1HD1      ILE   7  11.497   1.118   0.784
   55   HD12  ILE   7          2HD1      ILE   7  11.576   2.044  -0.713
   56   HD13  ILE   7          3HD1      ILE   7  12.370   0.472  -0.607
   57    HA   PRO   8           HA       PRO   8   6.790   2.870  -1.569
   58    HB2  PRO   8          2HB       PRO   8   4.888   3.491  -3.705
   59    HB3  PRO   8          1HB       PRO   8   6.232   4.467  -3.115
   60    HG2  PRO   8          2HG       PRO   8   6.256   3.324  -5.550
   61    HG3  PRO   8          1HG       PRO   8   7.730   3.538  -4.587
   62    HD2  PRO   8          2HD       PRO   8   6.036   1.081  -4.923
   63    HD3  PRO   8          1HD       PRO   8   7.806   1.239  -4.989
   64    HA   PRO   9           HA       PRO   9   3.217   0.580  -0.076
   65    HB2  PRO   9          2HB       PRO   9   2.720   2.942   1.617
   66    HB3  PRO   9          1HB       PRO   9   3.051   1.277   2.104
   67    HG2  PRO   9          2HG       PRO   9   4.875   3.201   2.450
   68    HG3  PRO   9          1HG       PRO   9   5.345   1.556   1.982
   69    HD2  PRO   9          2HD       PRO   9   5.056   3.995   0.275
   70    HD3  PRO   9          1HD       PRO   9   6.352   2.773   0.295
   71    H    ARG  10           H        ARG  10   1.441   0.496  -1.190
   72    HA   ARG  10           HA       ARG  10   0.198   2.941  -2.203
   73    HB2  ARG  10          2HB       ARG  10  -0.363   0.053  -2.913
   74    HB3  ARG  10          1HB       ARG  10  -1.006   1.471  -3.725
   75    HG2  ARG  10          2HG       ARG  10   1.877   0.610  -3.665
   76    HG3  ARG  10          1HG       ARG  10   0.767   0.448  -5.024
   77    HD2  ARG  10          2HD       ARG  10   0.577   2.873  -5.175
   78    HD3  ARG  10          1HD       ARG  10   1.629   3.054  -3.769
   79    HE   ARG  10           HE       ARG  10   2.977   1.509  -5.588
   80   HH11  ARG  10          1HH1      ARG  10   1.782   4.832  -5.462
   81   HH12  ARG  10          2HH1      ARG  10   2.983   5.439  -6.507
   82   HH21  ARG  10          1HH2      ARG  10   4.581   2.323  -6.974
   83   HH22  ARG  10          2HH2      ARG  10   4.619   3.981  -7.401
   84    H    ALA  11           H        PRG  11  -1.712   3.568  -1.352
   85    HA   ALA  11           HA       PRG  11  -2.992   1.622   0.378
   86    HB1  ALA  11          1HB       PRG  11  -3.547   3.250   2.043
   87    HB2  ALA  11          2HB       PRG  11  -2.868   4.570   1.146
   88    H    PHE  12           H        PHE  12  -5.068   1.656   0.517
   89    HA   PHE  12           HA       PHE  12  -6.507   3.200  -1.508
   90    HB2  PHE  12          2HB       PHE  12  -7.002   0.316  -0.655
   91    HB3  PHE  12          1HB       PHE  12  -7.872   1.196  -1.896
   92    HD1  PHE  12          1HD       PHE  12  -7.040   1.373  -4.108
   93    HD2  PHE  12          2HD       PHE  12  -4.605  -0.359  -1.087
   94    HE1  PHE  12          1HE       PHE  12  -5.480   0.580  -5.830
   95    HE2  PHE  12          2HE       PHE  12  -3.035  -1.160  -2.797
   96    HZ   PHE  12           HZ       PHE  12  -3.467  -0.690  -5.180
   97    HA   PRO  13           HA       PRO  13  -8.771   4.792   1.998
   98    HB2  PRO  13          2HB       PRO  13 -11.133   4.557   0.191
   99    HB3  PRO  13          1HB       PRO  13 -10.589   5.935   1.158
  100    HG2  PRO  13          2HG       PRO  13 -10.102   5.956  -1.415
  101    HG3  PRO  13          1HG       PRO  13  -8.809   6.405  -0.289
  102    HD2  PRO  13          2HD       PRO  13  -9.219   3.822  -1.748
  103    HD3  PRO  13          1HD       PRO  13  -7.728   4.760  -1.507
  104    H    ASP  14           H        ASP  14  -9.846   1.818   0.540
  105    HA   ASP  14           HA       ASP  14 -11.845   1.181   2.483
  106    HB2  ASP  14          2HB       ASP  14 -11.789  -1.088   1.656
  107    HB3  ASP  14          1HB       ASP  14 -11.675  -0.002   0.279
  108    H1   WMH 101          1HG       AZH   3  -2.429   2.037   4.580
  109    H2   WMH 101          2HG       AZH   3  -2.999   1.631   3.003
  110    H5   WMH 101           HD       PRG  11  -0.184   4.746   0.987
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -8.435   0.889   2.475
    2    HA2  GLY   1          2HA       GLY   1  -7.656   0.441   4.778
    3    HA3  GLY   1          1HA       GLY   1  -8.446  -1.123   4.624
    4    H    ARG   2           H        ARG   2  -7.412  -0.862   1.640
    5    HA   ARG   2           HA       ARG   2  -5.217  -2.553   2.032
    6    HB2  ARG   2          2HB       ARG   2  -6.280  -1.154  -0.392
    7    HB3  ARG   2          1HB       ARG   2  -4.746  -2.003  -0.458
    8    HG2  ARG   2          2HG       ARG   2  -7.332  -3.280   0.395
    9    HG3  ARG   2          1HG       ARG   2  -6.741  -3.282  -1.262
   10    HD2  ARG   2          2HD       ARG   2  -6.146  -5.384  -0.187
   11    HD3  ARG   2          1HD       ARG   2  -4.696  -4.450  -0.525
   12    HE   ARG   2           HE       ARG   2  -5.936  -4.497   2.144
   13   HH11  ARG   2          1HH1      ARG   2  -3.047  -4.938   0.110
   14   HH12  ARG   2          2HH1      ARG   2  -1.987  -5.214   1.381
   15   HH21  ARG   2          1HH2      ARG   2  -4.489  -4.869   3.919
   16   HH22  ARG   2          2HH2      ARG   2  -2.831  -5.170   3.657
   17    H    ALA   3           H        AZH   3  -3.254  -2.245   2.411
   18    HA   ALA   3           HA       AZH   3  -1.861   0.114   1.571
   19    HB1  ALA   3          1HB       AZH   3  -0.767  -0.114   4.021
   20    HB2  ALA   3          2HB       AZH   3  -2.404  -0.621   4.408
   21    H    THR   4           H        THR   4   0.079  -0.417   0.850
   22    HA   THR   4           HA       THR   4   0.879  -3.162   1.092
   23    HB   THR   4           HB       THR   4   2.742  -2.405  -0.441
   24    HG1  THR   4          1HG       THR   4   2.850  -0.357  -1.047
   25   HG21  THR   4          1HG2      THR   4  -0.071  -1.831  -1.366
   26   HG22  THR   4          2HG2      THR   4   0.685  -3.422  -1.324
   27   HG23  THR   4          3HG2      THR   4   1.300  -2.180  -2.417
   28    H    LYS   5           H        LYS   5   2.596  -3.830   2.236
   29    HA   LYS   5           HA       LYS   5   3.850  -1.836   3.965
   30    HB2  LYS   5          2HB       LYS   5   3.755  -4.848   4.190
   31    HB3  LYS   5          1HB       LYS   5   4.517  -3.766   5.353
   32    HG2  LYS   5          2HG       LYS   5   2.383  -2.746   5.863
   33    HG3  LYS   5          1HG       LYS   5   1.590  -3.718   4.632
   34    HD2  LYS   5          2HD       LYS   5   1.075  -4.781   6.658
   35    HD3  LYS   5          1HD       LYS   5   2.371  -5.746   5.973
   36    HE2  LYS   5          2HE       LYS   5   2.671  -3.652   8.124
   37    HE3  LYS   5          1HE       LYS   5   2.607  -5.383   8.397
   38    HZ1  LYS   5          1HZ       LYS   5   4.849  -4.711   8.475
   39    HZ2  LYS   5          2HZ       LYS   5   4.783  -3.842   7.067
   40    HZ3  LYS   5          3HZ       LYS   5   4.700  -5.534   7.017
   41    H    SER   6           H        SER   6   4.365  -2.838   1.113
   42    HA   SER   6           HA       SER   6   7.258  -3.114   1.352
   43    HB2  SER   6          2HB       SER   6   7.007  -4.173  -0.947
   44    HB3  SER   6          1HB       SER   6   6.372  -5.120   0.404
   45    HG   SER   6           HG       SER   6   5.072  -4.007  -1.727
   46    H    ILE   7           H        ILE   7   8.232  -2.253  -0.866
   47    HA   ILE   7           HA       ILE   7   7.241   0.431  -1.098
   48    HB   ILE   7           HB       ILE   7   9.237   0.850  -2.537
   49   HG12  ILE   7          2HG1      ILE   7   9.918  -2.049  -1.922
   50   HG13  ILE   7          1HG1      ILE   7   9.471  -1.420  -3.500
   51   HG21  ILE   7          1HG2      ILE   7   9.774  -0.459   0.120
   52   HG22  ILE   7          2HG2      ILE   7   9.367   1.237  -0.158
   53   HG23  ILE   7          3HG2      ILE   7  10.900   0.586  -0.740
   54   HD11  ILE   7          1HD1      ILE   7  11.491  -0.040  -3.505
   55   HD12  ILE   7          2HD1      ILE   7  11.863  -1.755  -3.338
   56   HD13  ILE   7          3HD1      ILE   7  11.936  -0.694  -1.930
   57    HA   PRO   8           HA       PRO   8   6.916   2.028  -2.155
   58    HB2  PRO   8          2HB       PRO   8   4.878   3.335  -3.591
   59    HB3  PRO   8          1HB       PRO   8   6.608   3.439  -3.916
   60    HG2  PRO   8          2HG       PRO   8   4.659   2.267  -5.585
   61    HG3  PRO   8          1HG       PRO   8   6.413   2.131  -5.759
   62    HD2  PRO   8          2HD       PRO   8   4.471   0.223  -4.553
   63    HD3  PRO   8          1HD       PRO   8   5.977  -0.103  -5.435
   64    HA   PRO   9           HA       PRO   9   3.346   1.577   0.569
   65    HB2  PRO   9          2HB       PRO   9   3.465   4.482   1.092
   66    HB3  PRO   9          1HB       PRO   9   3.678   3.144   2.223
   67    HG2  PRO   9          2HG       PRO   9   5.747   4.665   1.448
   68    HG3  PRO   9          1HG       PRO   9   5.928   2.929   1.751
   69    HD2  PRO   9          2HD       PRO   9   5.690   4.382  -0.859
   70    HD3  PRO   9          1HD       PRO   9   6.751   3.029  -0.406
   71    H    ARG  10           H        ARG  10   1.670   1.215  -0.750
   72    HA   ARG  10           HA       ARG  10   0.313   3.489  -2.015
   73    HB2  ARG  10          2HB       ARG  10   1.235   1.865  -3.602
   74    HB3  ARG  10          1HB       ARG  10   0.431   0.559  -2.755
   75    HG2  ARG  10          2HG       ARG  10  -1.740   1.500  -3.384
   76    HG3  ARG  10          1HG       ARG  10  -0.909   2.792  -4.257
   77    HD2  ARG  10          2HD       ARG  10  -1.610   1.005  -5.774
   78    HD3  ARG  10          1HD       ARG  10   0.144   1.152  -5.713
   79    HE   ARG  10           HE       ARG  10  -0.877  -0.797  -3.879
   80   HH11  ARG  10          1HH1      ARG  10  -0.064  -0.327  -7.293
   81   HH12  ARG  10          2HH1      ARG  10   0.347  -1.961  -7.550
   82   HH21  ARG  10          1HH2      ARG  10  -0.312  -3.057  -4.266
   83   HH22  ARG  10          2HH2      ARG  10   0.237  -3.512  -5.812
   84    H    ALA  11           H        PRG  11  -1.499   3.986  -0.907
   85    HA   ALA  11           HA       PRG  11  -2.860   1.771   0.409
   86    HB1  ALA  11          1HB       PRG  11  -3.482   3.170   2.261
   87    HB2  ALA  11          2HB       PRG  11  -2.708   4.571   1.592
   88    H    PHE  12           H        PHE  12  -5.028   1.904   0.645
   89    HA   PHE  12           HA       PHE  12  -6.458   3.769  -1.106
   90    HB2  PHE  12          2HB       PHE  12  -6.882   0.774  -0.869
   91    HB3  PHE  12          1HB       PHE  12  -7.908   1.860  -1.784
   92    HD1  PHE  12          1HD       PHE  12  -7.158   2.785  -3.902
   93    HD2  PHE  12          2HD       PHE  12  -4.703   0.111  -1.686
   94    HE1  PHE  12          1HE       PHE  12  -5.757   2.418  -5.891
   95    HE2  PHE  12          2HE       PHE  12  -3.305  -0.250  -3.658
   96    HZ   PHE  12           HZ       PHE  12  -3.831   0.902  -5.775
   97    HA   PRO  13           HA       PRO  13  -8.980   4.484   2.428
   98    HB2  PRO  13          2HB       PRO  13 -11.448   4.863   1.355
   99    HB3  PRO  13          1HB       PRO  13 -10.133   6.036   1.209
  100    HG2  PRO  13          2HG       PRO  13 -11.028   3.950  -0.750
  101    HG3  PRO  13          1HG       PRO  13 -10.645   5.658  -1.041
  102    HD2  PRO  13          2HD       PRO  13  -8.877   3.733  -1.601
  103    HD3  PRO  13          1HD       PRO  13  -8.353   5.289  -0.929
  104    H    ASP  14           H        ASP  14  -9.526   1.640   0.639
  105    HA   ASP  14           HA       ASP  14 -11.770   0.723   2.237
  106    HB2  ASP  14          2HB       ASP  14 -11.753  -1.261   0.920
  107    HB3  ASP  14          1HB       ASP  14 -11.344   0.028  -0.198
  108    H1   WMH 101          1HG       AZH   3  -2.524   1.730   4.781
  109    H2   WMH 101          2HG       AZH   3  -3.097   1.501   3.157
  110    H5   WMH 101           HD       PRG  11   0.075   4.489   1.438
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -8.648   0.918   2.643
    2    HA2  GLY   1          2HA       GLY   1  -8.093  -0.090   4.841
    3    HA3  GLY   1          1HA       GLY   1  -9.116  -1.426   4.370
    4    H    ARG   2           H        ARG   2  -6.748   0.095   2.241
    5    HA   ARG   2           HA       ARG   2  -5.217  -2.402   2.423
    6    HB2  ARG   2          2HB       ARG   2  -5.864  -0.855  -0.073
    7    HB3  ARG   2          1HB       ARG   2  -4.766  -2.220   0.003
    8    HG2  ARG   2          2HG       ARG   2  -6.562  -3.707   0.563
    9    HG3  ARG   2          1HG       ARG   2  -7.689  -2.356   0.693
   10    HD2  ARG   2          2HD       ARG   2  -7.966  -3.481  -1.448
   11    HD3  ARG   2          1HD       ARG   2  -7.347  -1.846  -1.664
   12    HE   ARG   2           HE       ARG   2  -5.334  -3.906  -1.570
   13   HH11  ARG   2          1HH1      ARG   2  -7.430  -1.981  -3.641
   14   HH12  ARG   2          2HH1      ARG   2  -6.536  -2.273  -5.060
   15   HH21  ARG   2          1HH2      ARG   2  -4.123  -4.316  -3.506
   16   HH22  ARG   2          2HH2      ARG   2  -4.611  -3.651  -4.996
   17    H    ALA   3           H        AZH   3  -3.086  -2.143   2.636
   18    HA   ALA   3           HA       AZH   3  -1.711   0.166   1.630
   19    HB1  ALA   3          1HB       AZH   3  -0.476   0.145   4.014
   20    HB2  ALA   3          2HB       AZH   3  -2.072  -0.339   4.556
   21    H    THR   4           H        THR   4   0.246  -0.417   0.897
   22    HA   THR   4           HA       THR   4   0.918  -3.191   1.258
   23    HB   THR   4           HB       THR   4   2.669  -2.717  -0.459
   24    HG1  THR   4          1HG       THR   4   3.148  -0.671  -0.447
   25   HG21  THR   4          1HG2      THR   4   0.465  -3.535  -1.134
   26   HG22  THR   4          2HG2      THR   4   1.102  -2.410  -2.330
   27   HG23  THR   4          3HG2      THR   4  -0.140  -1.881  -1.197
   28    H    LYS   5           H        LYS   5   2.429  -3.891   2.612
   29    HA   LYS   5           HA       LYS   5   4.034  -2.077   4.139
   30    HB2  LYS   5          2HB       LYS   5   5.029  -4.066   5.136
   31    HB3  LYS   5          1HB       LYS   5   3.280  -4.232   5.098
   32    HG2  LYS   5          2HG       LYS   5   3.410  -5.733   3.209
   33    HG3  LYS   5          1HG       LYS   5   5.146  -5.474   3.081
   34    HD2  LYS   5          2HD       LYS   5   3.720  -6.761   5.413
   35    HD3  LYS   5          1HD       LYS   5   4.613  -7.619   4.159
   36    HE2  LYS   5          2HE       LYS   5   6.669  -6.385   4.840
   37    HE3  LYS   5          1HE       LYS   5   5.751  -5.641   6.141
   38    HZ1  LYS   5          1HZ       LYS   5   6.310  -8.544   5.851
   39    HZ2  LYS   5          2HZ       LYS   5   5.333  -7.864   7.033
   40    HZ3  LYS   5          3HZ       LYS   5   6.968  -7.501   6.993
   41    H    SER   6           H        SER   6   4.217  -3.303   1.093
   42    HA   SER   6           HA       SER   6   7.080  -3.337   0.856
   43    HB2  SER   6          2HB       SER   6   6.385  -3.954  -1.519
   44    HB3  SER   6          1HB       SER   6   5.963  -5.114  -0.253
   45    HG   SER   6           HG       SER   6   3.968  -4.850  -0.779
   46    H    ILE   7           H        ILE   7   8.125  -1.815  -0.473
   47    HA   ILE   7           HA       ILE   7   6.669   0.658  -0.876
   48    HB   ILE   7           HB       ILE   7   8.892   1.657  -1.401
   49   HG12  ILE   7          2HG1      ILE   7  10.017  -1.039  -0.595
   50   HG13  ILE   7          1HG1      ILE   7   9.978  -0.431  -2.245
   51   HG21  ILE   7          1HG2      ILE   7   8.036   1.771   0.858
   52   HG22  ILE   7          2HG2      ILE   7   9.786   1.567   0.889
   53   HG23  ILE   7          3HG2      ILE   7   8.734   0.195   1.229
   54   HD11  ILE   7          1HD1      ILE   7  11.492   0.770   0.065
   55   HD12  ILE   7          2HD1      ILE   7  11.460   1.404  -1.582
   56   HD13  ILE   7          3HD1      ILE   7  12.179  -0.173  -1.257
   57    HA   PRO   8           HA       PRO   8   6.872   2.531  -2.169
   58    HB2  PRO   8          2HB       PRO   8   4.979   3.544  -3.800
   59    HB3  PRO   8          1HB       PRO   8   6.697   3.579  -4.213
   60    HG2  PRO   8          2HG       PRO   8   4.573   1.671  -5.115
   61    HG3  PRO   8          1HG       PRO   8   5.838   2.459  -6.074
   62    HD2  PRO   8          2HD       PRO   8   6.038  -0.096  -5.184
   63    HD3  PRO   8          1HD       PRO   8   7.449   0.953  -5.411
   64    HA   PRO   9           HA       PRO   9   3.303   1.211   0.193
   65    HB2  PRO   9          2HB       PRO   9   3.146   4.015   1.107
   66    HB3  PRO   9          1HB       PRO   9   3.401   2.548   2.054
   67    HG2  PRO   9          2HG       PRO   9   5.378   4.301   1.642
   68    HG3  PRO   9          1HG       PRO   9   5.685   2.552   1.686
   69    HD2  PRO   9          2HD       PRO   9   5.438   4.375  -0.676
   70    HD3  PRO   9          1HD       PRO   9   6.596   3.061  -0.355
   71    H    ARG  10           H        ARG  10   1.644   0.876  -1.120
   72    HA   ARG  10           HA       ARG  10   0.219   3.158  -2.275
   73    HB2  ARG  10          2HB       ARG  10  -0.028   0.208  -2.872
   74    HB3  ARG  10          1HB       ARG  10  -0.833   1.512  -3.735
   75    HG2  ARG  10          2HG       ARG  10   1.312   2.347  -4.505
   76    HG3  ARG  10          1HG       ARG  10   2.139   1.074  -3.609
   77    HD2  ARG  10          2HD       ARG  10   0.220   0.716  -5.898
   78    HD3  ARG  10          1HD       ARG  10   1.968   0.471  -5.930
   79    HE   ARG  10           HE       ARG  10   0.174  -1.133  -4.243
   80   HH11  ARG  10          1HH1      ARG  10   2.794  -0.979  -6.628
   81   HH12  ARG  10          2HH1      ARG  10   3.045  -2.665  -6.628
   82   HH21  ARG  10          1HH2      ARG  10   0.513  -3.388  -4.283
   83   HH22  ARG  10          2HH2      ARG  10   1.728  -4.083  -5.255
   84    H    ALA  11           H        PRG  11  -1.483   3.791  -1.097
   85    HA   ALA  11           HA       PRG  11  -2.795   1.719   0.468
   86    HB1  ALA  11          1HB       PRG  11  -3.334   3.282   2.195
   87    HB2  ALA  11          2HB       PRG  11  -2.635   4.630   1.353
   88    H    PHE  12           H        PHE  12  -4.923   1.827   0.714
   89    HA   PHE  12           HA       PHE  12  -6.372   3.586  -1.097
   90    HB2  PHE  12          2HB       PHE  12  -6.827   0.588  -0.850
   91    HB3  PHE  12          1HB       PHE  12  -7.754   1.694  -1.833
   92    HD1  PHE  12          1HD       PHE  12  -6.815   2.665  -3.871
   93    HD2  PHE  12          2HD       PHE  12  -4.638  -0.197  -1.599
   94    HE1  PHE  12          1HE       PHE  12  -5.297   2.306  -5.772
   95    HE2  PHE  12          2HE       PHE  12  -3.125  -0.557  -3.484
   96    HZ   PHE  12           HZ       PHE  12  -3.448   0.692  -5.583
   97    HA   PRO  13           HA       PRO  13  -8.594   4.449   2.579
   98    HB2  PRO  13          2HB       PRO  13 -10.945   5.324   1.543
   99    HB3  PRO  13          1HB       PRO  13  -9.446   6.259   1.466
  100    HG2  PRO  13          2HG       PRO  13 -10.665   4.478  -0.619
  101    HG3  PRO  13          1HG       PRO  13 -10.007   6.114  -0.808
  102    HD2  PRO  13          2HD       PRO  13  -8.571   3.980  -1.494
  103    HD3  PRO  13          1HD       PRO  13  -7.809   5.376  -0.707
  104    H    ASP  14           H        ASP  14  -9.549   1.878   0.640
  105    HA   ASP  14           HA       ASP  14 -11.879   1.227   2.238
  106    HB2  ASP  14          2HB       ASP  14 -12.159  -0.696   0.729
  107    HB3  ASP  14          1HB       ASP  14 -12.025   0.809  -0.167
  108    H1   WMH 101          1HG       AZH   3  -2.225   2.042   4.736
  109    H2   WMH 101          2HG       AZH   3  -2.855   1.681   3.164
  110    H5   WMH 101           HD       PRG  11   0.087   4.682   1.128
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -8.724   0.957   2.475
    2    HA2  GLY   1          2HA       GLY   1  -8.201   0.453   4.728
    3    HA3  GLY   1          1HA       GLY   1  -9.391  -0.831   4.698
    4    H    ARG   2           H        ARG   2  -6.610  -0.006   2.681
    5    HA   ARG   2           HA       ARG   2  -5.167  -2.281   3.620
    6    HB2  ARG   2          2HB       ARG   2  -4.824  -3.230   1.325
    7    HB3  ARG   2          1HB       ARG   2  -6.461  -3.412   1.934
    8    HG2  ARG   2          2HG       ARG   2  -7.112  -1.425   0.618
    9    HG3  ARG   2          1HG       ARG   2  -5.473  -1.409  -0.044
   10    HD2  ARG   2          2HD       ARG   2  -7.389  -3.714  -0.275
   11    HD3  ARG   2          1HD       ARG   2  -7.144  -2.490  -1.512
   12    HE   ARG   2           HE       ARG   2  -4.748  -3.815  -0.674
   13   HH11  ARG   2          1HH1      ARG   2  -7.495  -3.873  -2.908
   14   HH12  ARG   2          2HH1      ARG   2  -6.732  -4.921  -4.018
   15   HH21  ARG   2          1HH2      ARG   2  -3.716  -5.220  -2.182
   16   HH22  ARG   2          2HH2      ARG   2  -4.508  -5.680  -3.623
   17    H    ALA   3           H        AZH   3  -2.998  -2.156   3.199
   18    HA   ALA   3           HA       AZH   3  -1.934   0.167   1.785
   19    HB1  ALA   3          1HB       AZH   3  -0.386   0.250   3.959
   20    HB2  ALA   3          2HB       AZH   3  -1.851  -0.357   4.711
   21    H    THR   4           H        THR   4  -0.077  -0.357   0.726
   22    HA   THR   4           HA       THR   4   0.901  -3.022   1.122
   23    HB   THR   4           HB       THR   4   2.459  -2.474  -0.749
   24    HG1  THR   4          1HG       THR   4   2.742  -0.457  -1.293
   25   HG21  THR   4          1HG2      THR   4  -0.444  -1.840  -1.306
   26   HG22  THR   4          2HG2      THR   4   0.281  -3.448  -1.274
   27   HG23  THR   4          3HG2      THR   4   0.749  -2.294  -2.520
   28    H    LYS   5           H        LYS   5   2.496  -3.512   2.432
   29    HA   LYS   5           HA       LYS   5   4.059  -1.395   3.641
   30    HB2  LYS   5          2HB       LYS   5   4.153  -4.398   4.024
   31    HB3  LYS   5          1HB       LYS   5   5.119  -3.249   4.932
   32    HG2  LYS   5          2HG       LYS   5   2.108  -3.403   4.946
   33    HG3  LYS   5          1HG       LYS   5   3.175  -4.027   6.201
   34    HD2  LYS   5          2HD       LYS   5   4.041  -1.711   6.524
   35    HD3  LYS   5          1HD       LYS   5   2.832  -1.141   5.376
   36    HE2  LYS   5          2HE       LYS   5   2.037  -0.800   7.640
   37    HE3  LYS   5          1HE       LYS   5   1.053  -2.020   6.840
   38    HZ1  LYS   5          1HZ       LYS   5   1.573  -2.705   9.072
   39    HZ2  LYS   5          2HZ       LYS   5   3.219  -2.527   8.827
   40    HZ3  LYS   5          3HZ       LYS   5   2.370  -3.738   8.022
   41    H    SER   6           H        SER   6   4.161  -3.510   1.055
   42    HA   SER   6           HA       SER   6   6.953  -3.596   0.568
   43    HB2  SER   6          2HB       SER   6   6.137  -4.361  -1.679
   44    HB3  SER   6          1HB       SER   6   5.458  -5.281  -0.334
   45    HG   SER   6           HG       SER   6   4.223  -3.087  -1.602
   46    H    ILE   7           H        ILE   7   8.047  -2.219  -0.823
   47    HA   ILE   7           HA       ILE   7   6.910   0.397  -1.064
   48    HB   ILE   7           HB       ILE   7   9.083   1.044  -2.116
   49   HG12  ILE   7          2HG1      ILE   7   9.904  -1.817  -1.536
   50   HG13  ILE   7          1HG1      ILE   7   9.561  -1.197  -3.146
   51   HG21  ILE   7          1HG2      ILE   7  10.437   0.734  -0.081
   52   HG22  ILE   7          2HG2      ILE   7   9.266  -0.452   0.497
   53   HG23  ILE   7          3HG2      ILE   7   8.783   1.229   0.281
   54   HD11  ILE   7          1HD1      ILE   7  11.954  -1.317  -2.697
   55   HD12  ILE   7          2HD1      ILE   7  11.745  -0.236  -1.313
   56   HD13  ILE   7          3HD1      ILE   7  11.433   0.348  -2.944
   57    HA   PRO   8           HA       PRO   8   6.912   2.169  -2.181
   58    HB2  PRO   8          2HB       PRO   8   4.782   3.326  -3.719
   59    HB3  PRO   8          1HB       PRO   8   6.500   3.722  -3.777
   60    HG2  PRO   8          2HG       PRO   8   5.102   2.518  -5.838
   61    HG3  PRO   8          1HG       PRO   8   6.858   2.426  -5.619
   62    HD2  PRO   8          2HD       PRO   8   4.743   0.441  -4.873
   63    HD3  PRO   8          1HD       PRO   8   6.349   0.152  -5.569
   64    HA   PRO   9           HA       PRO   9   3.387   1.136   0.414
   65    HB2  PRO   9          2HB       PRO   9   3.735   3.830   1.589
   66    HB3  PRO   9          1HB       PRO   9   3.819   2.252   2.379
   67    HG2  PRO   9          2HG       PRO   9   6.028   3.698   1.963
   68    HG3  PRO   9          1HG       PRO   9   6.038   1.932   1.804
   69    HD2  PRO   9          2HD       PRO   9   5.927   4.023  -0.341
   70    HD3  PRO   9          1HD       PRO   9   6.877   2.522  -0.261
   71    H    ARG  10           H        ARG  10   1.653   1.188  -0.870
   72    HA   ARG  10           HA       ARG  10   0.456   3.767  -1.520
   73    HB2  ARG  10          2HB       ARG  10   0.104   1.058  -2.804
   74    HB3  ARG  10          1HB       ARG  10  -0.808   2.493  -3.238
   75    HG2  ARG  10          2HG       ARG  10   1.251   3.584  -3.960
   76    HG3  ARG  10          1HG       ARG  10   2.169   2.145  -3.511
   77    HD2  ARG  10          2HD       ARG  10   1.700   2.213  -5.904
   78    HD3  ARG  10          1HD       ARG  10   0.934   0.824  -5.131
   79    HE   ARG  10           HE       ARG  10  -0.754   3.130  -5.325
   80   HH11  ARG  10          1HH1      ARG  10   0.363   0.268  -7.060
   81   HH12  ARG  10          2HH1      ARG  10  -1.010   0.164  -8.062
   82   HH21  ARG  10          1HH2      ARG  10  -2.662   2.993  -6.733
   83   HH22  ARG  10          2HH2      ARG  10  -2.733   1.739  -7.894
   84    H    ALA  11           H        PRG  11  -1.472   4.167  -0.631
   85    HA   ALA  11           HA       PRG  11  -2.657   1.921   0.765
   86    HB1  ALA  11          1HB       PRG  11  -3.438   3.371   2.535
   87    HB2  ALA  11          2HB       PRG  11  -2.769   4.786   1.774
   88    H    PHE  12           H        PHE  12  -4.657   1.546   0.611
   89    HA   PHE  12           HA       PHE  12  -6.120   3.166  -1.325
   90    HB2  PHE  12          2HB       PHE  12  -6.410   0.227  -0.670
   91    HB3  PHE  12          1HB       PHE  12  -7.325   1.101  -1.878
   92    HD1  PHE  12          1HD       PHE  12  -4.073  -0.408  -1.082
   93    HD2  PHE  12          2HD       PHE  12  -6.336   1.725  -3.997
   94    HE1  PHE  12          1HE       PHE  12  -2.394  -0.956  -2.780
   95    HE2  PHE  12          2HE       PHE  12  -4.645   1.179  -5.695
   96    HZ   PHE  12           HZ       PHE  12  -2.676  -0.161  -5.089
   97    HA   PRO  13           HA       PRO  13  -8.646   4.261   2.130
   98    HB2  PRO  13          2HB       PRO  13 -10.857   5.088   0.759
   99    HB3  PRO  13          1HB       PRO  13  -9.376   6.039   0.908
  100    HG2  PRO  13          2HG       PRO  13 -10.264   4.266  -1.335
  101    HG3  PRO  13          1HG       PRO  13  -9.567   5.895  -1.408
  102    HD2  PRO  13          2HD       PRO  13  -8.082   3.737  -1.886
  103    HD3  PRO  13          1HD       PRO  13  -7.417   5.126  -0.998
  104    H    ASP  14           H        ASP  14  -9.313   1.573   0.247
  105    HA   ASP  14           HA       ASP  14 -11.831   0.985   1.544
  106    HB2  ASP  14          2HB       ASP  14 -11.879  -1.071   0.269
  107    HB3  ASP  14          1HB       ASP  14 -11.419   0.240  -0.796
  108    H1   WMH 101          1HG       AZH   3  -2.396   1.904   4.899
  109    H2   WMH 101          2HG       AZH   3  -2.842   1.627   3.253
  110    H5   WMH 101           HD       PRG  11  -0.055   5.041   1.763
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -8.543   1.015   2.712
    2    HA2  GLY   1          2HA       GLY   1  -7.696   0.295   4.807
    3    HA3  GLY   1          1HA       GLY   1  -8.697  -1.150   4.691
    4    H    ARG   2           H        ARG   2  -6.972  -0.101   1.950
    5    HA   ARG   2           HA       ARG   2  -5.278  -2.476   2.165
    6    HB2  ARG   2          2HB       ARG   2  -6.755  -2.176   0.163
    7    HB3  ARG   2          1HB       ARG   2  -5.855  -0.726  -0.216
    8    HG2  ARG   2          2HG       ARG   2  -5.127  -2.541  -1.636
    9    HG3  ARG   2          1HG       ARG   2  -3.825  -2.072  -0.548
   10    HD2  ARG   2          2HD       ARG   2  -5.670  -4.337   0.151
   11    HD3  ARG   2          1HD       ARG   2  -4.320  -4.591  -0.944
   12    HE   ARG   2           HE       ARG   2  -2.868  -3.828   0.862
   13   HH11  ARG   2          1HH1      ARG   2  -6.101  -4.954   1.865
   14   HH12  ARG   2          2HH1      ARG   2  -5.557  -5.573   3.346
   15   HH21  ARG   2          1HH2      ARG   2  -2.157  -4.715   2.899
   16   HH22  ARG   2          2HH2      ARG   2  -3.292  -5.457   3.924
   17    H    ALA   3           H        AZH   3  -3.248  -2.206   2.627
   18    HA   ALA   3           HA       AZH   3  -1.777   0.104   1.717
   19    HB1  ALA   3          1HB       AZH   3  -0.596  -0.182   4.106
   20    HB2  ALA   3          2HB       AZH   3  -2.227  -0.652   4.563
   21    H    THR   4           H        THR   4   0.167  -0.414   0.962
   22    HA   THR   4           HA       THR   4   0.850  -3.191   1.076
   23    HB   THR   4           HB       THR   4   2.599  -2.554  -0.601
   24    HG1  THR   4          1HG       THR   4   3.076  -0.560  -0.739
   25   HG21  THR   4          1HG2      THR   4  -0.203  -1.639  -1.271
   26   HG22  THR   4          2HG2      THR   4   0.380  -3.301  -1.338
   27   HG23  THR   4          3HG2      THR   4   1.039  -2.093  -2.439
   28    H    LYS   5           H        LYS   5   2.339  -3.977   2.380
   29    HA   LYS   5           HA       LYS   5   3.682  -2.326   4.258
   30    HB2  LYS   5          2HB       LYS   5   4.727  -4.356   5.064
   31    HB3  LYS   5          1HB       LYS   5   3.010  -4.628   4.806
   32    HG2  LYS   5          2HG       LYS   5   3.465  -5.850   2.774
   33    HG3  LYS   5          1HG       LYS   5   5.180  -5.460   2.887
   34    HD2  LYS   5          2HD       LYS   5   3.618  -7.117   4.875
   35    HD3  LYS   5          1HD       LYS   5   4.699  -7.753   3.639
   36    HE2  LYS   5          2HE       LYS   5   5.505  -5.951   5.943
   37    HE3  LYS   5          1HE       LYS   5   5.803  -7.674   5.820
   38    HZ1  LYS   5          1HZ       LYS   5   6.919  -5.653   3.931
   39    HZ2  LYS   5          2HZ       LYS   5   7.236  -7.305   3.942
   40    HZ3  LYS   5          3HZ       LYS   5   7.721  -6.338   5.237
   41    H    SER   6           H        SER   6   4.424  -3.475   1.116
   42    HA   SER   6           HA       SER   6   7.210  -2.777   1.449
   43    HB2  SER   6          2HB       SER   6   7.390  -3.971  -0.786
   44    HB3  SER   6          1HB       SER   6   6.982  -4.973   0.611
   45    HG   SER   6           HG       SER   6   5.377  -5.559  -0.540
   46    H    ILE   7           H        ILE   7   8.170  -1.502  -0.209
   47    HA   ILE   7           HA       ILE   7   6.504   0.656  -1.024
   48    HB   ILE   7           HB       ILE   7   8.570   1.639  -1.955
   49   HG12  ILE   7          2HG1      ILE   7   9.897  -0.960  -1.132
   50   HG13  ILE   7          1HG1      ILE   7   9.615  -0.444  -2.788
   51   HG21  ILE   7          1HG2      ILE   7   8.928   0.444   0.790
   52   HG22  ILE   7          2HG2      ILE   7   8.123   1.965   0.406
   53   HG23  ILE   7          3HG2      ILE   7   9.857   1.793   0.140
   54   HD11  ILE   7          1HD1      ILE   7  11.911  -0.067  -2.173
   55   HD12  ILE   7          2HD1      ILE   7  11.412   0.883  -0.774
   56   HD13  ILE   7          3HD1      ILE   7  11.100   1.486  -2.401
   57    HA   PRO   8           HA       PRO   8   6.607   2.304  -2.731
   58    HB2  PRO   8          2HB       PRO   8   4.282   2.477  -4.498
   59    HB3  PRO   8          1HB       PRO   8   5.800   3.372  -4.579
   60    HG2  PRO   8          2HG       PRO   8   5.123   1.493  -6.405
   61    HG3  PRO   8          1HG       PRO   8   6.802   1.811  -5.938
   62    HD2  PRO   8          2HD       PRO   8   4.965  -0.378  -5.040
   63    HD3  PRO   8          1HD       PRO   8   6.683  -0.465  -5.483
   64    HA   PRO   9           HA       PRO   9   3.312   1.198   0.107
   65    HB2  PRO   9          2HB       PRO   9   3.591   3.853   1.283
   66    HB3  PRO   9          1HB       PRO   9   3.975   2.284   1.996
   67    HG2  PRO   9          2HG       PRO   9   5.888   4.076   1.310
   68    HG3  PRO   9          1HG       PRO   9   6.145   2.325   1.252
   69    HD2  PRO   9          2HD       PRO   9   5.520   4.224  -0.979
   70    HD3  PRO   9          1HD       PRO   9   6.681   2.877  -0.921
   71    H    ARG  10           H        ARG  10   1.575   1.203  -1.134
   72    HA   ARG  10           HA       ARG  10   0.282   3.765  -1.763
   73    HB2  ARG  10          2HB       ARG  10   0.015   1.045  -3.057
   74    HB3  ARG  10          1HB       ARG  10  -0.996   2.426  -3.449
   75    HG2  ARG  10          2HG       ARG  10   1.998   2.387  -3.760
   76    HG3  ARG  10          1HG       ARG  10   0.855   2.026  -5.054
   77    HD2  ARG  10          2HD       ARG  10   0.959   4.614  -3.511
   78    HD3  ARG  10          1HD       ARG  10   1.673   4.354  -5.098
   79    HE   ARG  10           HE       ARG  10  -0.701   3.728  -5.757
   80   HH11  ARG  10          1HH1      ARG  10   0.031   6.228  -3.338
   81   HH12  ARG  10          2HH1      ARG  10  -1.315   7.183  -3.706
   82   HH21  ARG  10          1HH2      ARG  10  -2.581   5.042  -6.240
   83   HH22  ARG  10          2HH2      ARG  10  -2.851   6.479  -5.373
   84    H    ALA  11           H        PRG  11  -1.416   4.230  -0.547
   85    HA   ALA  11           HA       PRG  11  -2.734   1.956   0.667
   86    HB1  ALA  11          1HB       PRG  11  -3.278   3.317   2.610
   87    HB2  ALA  11          2HB       PRG  11  -2.472   4.709   1.935
   88    H    PHE  12           H        PHE  12  -4.801   1.874   0.665
   89    HA   PHE  12           HA       PHE  12  -6.195   3.862  -0.990
   90    HB2  PHE  12          2HB       PHE  12  -6.588   0.850  -1.106
   91    HB3  PHE  12          1HB       PHE  12  -7.472   2.043  -2.036
   92    HD1  PHE  12          1HD       PHE  12  -4.315   0.235  -1.707
   93    HD2  PHE  12          2HD       PHE  12  -6.435   3.201  -3.906
   94    HE1  PHE  12          1HE       PHE  12  -2.642   0.095  -3.498
   95    HE2  PHE  12          2HE       PHE  12  -4.765   3.064  -5.697
   96    HZ   PHE  12           HZ       PHE  12  -2.866   1.511  -5.499
   97    HA   PRO  13           HA       PRO  13  -8.942   4.374   2.357
   98    HB2  PRO  13          2HB       PRO  13 -11.305   4.739   0.962
   99    HB3  PRO  13          1HB       PRO  13 -10.110   5.986   1.304
  100    HG2  PRO  13          2HG       PRO  13 -10.506   4.365  -1.168
  101    HG3  PRO  13          1HG       PRO  13 -10.051   6.069  -1.002
  102    HD2  PRO  13          2HD       PRO  13  -8.258   4.201  -1.632
  103    HD3  PRO  13          1HD       PRO  13  -7.838   5.563  -0.574
  104    H    ASP  14           H        ASP  14  -9.223   1.559   0.543
  105    HA   ASP  14           HA       ASP  14 -11.640   0.651   1.923
  106    HB2  ASP  14          2HB       ASP  14 -11.491  -1.397   0.635
  107    HB3  ASP  14          1HB       ASP  14 -11.303  -0.042  -0.460
  108    H1   WMH 101          1HG       AZH   3  -2.354   1.699   4.918
  109    H2   WMH 101          2HG       AZH   3  -2.868   1.481   3.278
  110    H5   WMH 101           HD       PRG  11   0.281   4.541   1.700
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -8.600   1.193   3.052
    2    HA2  GLY   1          2HA       GLY   1  -7.377   0.375   4.869
    3    HA3  GLY   1          1HA       GLY   1  -8.437  -1.025   4.908
    4    H    ARG   2           H        ARG   2  -7.070  -0.110   1.934
    5    HA   ARG   2           HA       ARG   2  -5.513  -2.586   1.899
    6    HB2  ARG   2          2HB       ARG   2  -7.232  -2.139   0.161
    7    HB3  ARG   2          1HB       ARG   2  -6.337  -0.710  -0.297
    8    HG2  ARG   2          2HG       ARG   2  -4.476  -2.088  -1.027
    9    HG3  ARG   2          1HG       ARG   2  -5.361  -3.542  -0.539
   10    HD2  ARG   2          2HD       ARG   2  -7.167  -2.964  -2.070
   11    HD3  ARG   2          1HD       ARG   2  -6.296  -1.513  -2.550
   12    HE   ARG   2           HE       ARG   2  -4.615  -3.624  -3.003
   13   HH11  ARG   2          1HH1      ARG   2  -7.751  -2.486  -4.163
   14   HH12  ARG   2          2HH1      ARG   2  -7.684  -3.223  -5.679
   15   HH21  ARG   2          1HH2      ARG   2  -4.437  -4.648  -5.090
   16   HH22  ARG   2          2HH2      ARG   2  -5.685  -4.533  -6.238
   17    H    ALA   3           H        AZH   3  -3.470  -2.320   2.433
   18    HA   ALA   3           HA       AZH   3  -1.957  -0.021   1.436
   19    HB1  ALA   3          1HB       AZH   3  -0.759  -0.345   3.802
   20    HB2  ALA   3          2HB       AZH   3  -2.381  -0.840   4.253
   21    H    THR   4           H        THR   4   0.001  -0.548   0.634
   22    HA   THR   4           HA       THR   4   0.866  -3.271   0.877
   23    HB   THR   4           HB       THR   4   2.747  -2.423  -0.624
   24    HG1  THR   4          1HG       THR   4   2.791  -0.400  -1.209
   25   HG21  THR   4          1HG2      THR   4  -0.087  -2.004  -1.596
   26   HG22  THR   4          2HG2      THR   4   0.779  -3.540  -1.567
   27   HG23  THR   4          3HG2      THR   4   1.323  -2.241  -2.627
   28    H    LYS   5           H        LYS   5   2.723  -3.890   1.957
   29    HA   LYS   5           HA       LYS   5   3.514  -2.084   4.098
   30    HB2  LYS   5          2HB       LYS   5   4.229  -4.975   3.583
   31    HB3  LYS   5          1HB       LYS   5   4.671  -4.075   5.021
   32    HG2  LYS   5          2HG       LYS   5   1.845  -4.687   4.153
   33    HG3  LYS   5          1HG       LYS   5   2.751  -5.582   5.369
   34    HD2  LYS   5          2HD       LYS   5   2.068  -2.644   5.542
   35    HD3  LYS   5          1HD       LYS   5   1.158  -3.931   6.326
   36    HE2  LYS   5          2HE       LYS   5   3.154  -4.560   7.610
   37    HE3  LYS   5          1HE       LYS   5   4.069  -3.283   6.820
   38    HZ1  LYS   5          1HZ       LYS   5   2.594  -1.653   7.826
   39    HZ2  LYS   5          2HZ       LYS   5   3.321  -2.606   8.995
   40    HZ3  LYS   5          3HZ       LYS   5   1.708  -2.879   8.579
   41    H    SER   6           H        SER   6   4.840  -3.742   1.335
   42    HA   SER   6           HA       SER   6   7.457  -2.633   1.763
   43    HB2  SER   6          2HB       SER   6   7.879  -3.930  -0.386
   44    HB3  SER   6          1HB       SER   6   7.425  -4.888   1.025
   45    HG   SER   6           HG       SER   6   5.563  -5.365   0.138
   46    H    ILE   7           H        ILE   7   8.480  -1.449  -0.042
   47    HA   ILE   7           HA       ILE   7   6.834   0.664  -0.963
   48    HB   ILE   7           HB       ILE   7   8.851   1.457  -2.156
   49   HG12  ILE   7          2HG1      ILE   7  10.163  -1.078  -1.120
   50   HG13  ILE   7          1HG1      ILE   7   9.739  -0.775  -2.796
   51   HG21  ILE   7          1HG2      ILE   7   8.564   2.077   0.158
   52   HG22  ILE   7          2HG2      ILE   7  10.274   1.798  -0.164
   53   HG23  ILE   7          3HG2      ILE   7   9.325   0.580   0.687
   54   HD11  ILE   7          1HD1      ILE   7  11.729   0.781  -1.169
   55   HD12  ILE   7          2HD1      ILE   7  11.322   1.073  -2.861
   56   HD13  ILE   7          3HD1      ILE   7  12.104  -0.435  -2.390
   57    HA   PRO   8           HA       PRO   8   6.716   2.161  -2.629
   58    HB2  PRO   8          2HB       PRO   8   4.399   2.312  -4.411
   59    HB3  PRO   8          1HB       PRO   8   5.924   3.189  -4.517
   60    HG2  PRO   8          2HG       PRO   8   5.239   1.282  -6.299
   61    HG3  PRO   8          1HG       PRO   8   6.919   1.575  -5.820
   62    HD2  PRO   8          2HD       PRO   8   5.026  -0.545  -4.855
   63    HD3  PRO   8          1HD       PRO   8   6.732  -0.694  -5.330
   64    HA   PRO   9           HA       PRO   9   3.286   1.151   0.144
   65    HB2  PRO   9          2HB       PRO   9   3.609   3.771   1.365
   66    HB3  PRO   9          1HB       PRO   9   3.988   2.192   2.054
   67    HG2  PRO   9          2HG       PRO   9   5.901   4.014   1.383
   68    HG3  PRO   9          1HG       PRO   9   6.172   2.265   1.354
   69    HD2  PRO   9          2HD       PRO   9   5.569   4.126  -0.913
   70    HD3  PRO   9          1HD       PRO   9   6.733   2.783  -0.821
   71    H    ARG  10           H        ARG  10   1.504   1.242  -1.059
   72    HA   ARG  10           HA       ARG  10   0.363   3.874  -1.643
   73    HB2  ARG  10          2HB       ARG  10   1.114   2.700  -3.683
   74    HB3  ARG  10          1HB       ARG  10   0.137   1.318  -3.243
   75    HG2  ARG  10          2HG       ARG  10  -1.880   2.488  -3.621
   76    HG3  ARG  10          1HG       ARG  10  -1.040   4.034  -3.728
   77    HD2  ARG  10          2HD       ARG  10  -1.699   3.189  -5.939
   78    HD3  ARG  10          1HD       ARG  10   0.044   3.348  -5.775
   79    HE   ARG  10           HE       ARG  10  -0.906   0.699  -5.192
   80   HH11  ARG  10          1HH1      ARG  10   0.022   2.882  -7.821
   81   HH12  ARG  10          2HH1      ARG  10   0.471   1.654  -8.893
   82   HH21  ARG  10          1HH2      ARG  10  -0.280  -1.007  -6.653
   83   HH22  ARG  10          2HH2      ARG  10   0.328  -0.626  -8.200
   84    H    ALA  11           H        PRG  11  -1.527   4.230  -0.664
   85    HA   ALA  11           HA       PRG  11  -2.871   1.885   0.428
   86    HB1  ALA  11          1HB       PRG  11  -3.474   3.133   2.406
   87    HB2  ALA  11          2HB       PRG  11  -2.697   4.577   1.820
   88    H    PHE  12           H        PHE  12  -4.974   1.867   0.512
   89    HA   PHE  12           HA       PHE  12  -6.379   3.928  -1.022
   90    HB2  PHE  12          2HB       PHE  12  -6.982   0.948  -1.052
   91    HB3  PHE  12          1HB       PHE  12  -7.783   2.197  -1.983
   92    HD1  PHE  12          1HD       PHE  12  -4.767   0.162  -1.703
   93    HD2  PHE  12          2HD       PHE  12  -6.750   3.195  -3.917
   94    HE1  PHE  12          1HE       PHE  12  -3.180  -0.159  -3.539
   95    HE2  PHE  12          2HE       PHE  12  -5.155   2.883  -5.767
   96    HZ   PHE  12           HZ       PHE  12  -3.368   1.201  -5.578
   97    HA   PRO  13           HA       PRO  13  -8.975   4.455   2.495
   98    HB2  PRO  13          2HB       PRO  13 -11.369   4.575   0.788
   99    HB3  PRO  13          1HB       PRO  13 -10.648   5.823   1.807
  100    HG2  PRO  13          2HG       PRO  13 -10.475   5.958  -0.853
  101    HG3  PRO  13          1HG       PRO  13  -9.129   6.458   0.187
  102    HD2  PRO  13          2HD       PRO  13  -9.503   3.917  -1.334
  103    HD3  PRO  13          1HD       PRO  13  -8.060   4.946  -1.190
  104    H    ASP  14           H        ASP  14  -9.363   1.632   0.761
  105    HA   ASP  14           HA       ASP  14 -11.602   0.715   2.413
  106    HB2  ASP  14          2HB       ASP  14 -11.739  -1.220   0.993
  107    HB3  ASP  14          1HB       ASP  14 -11.567   0.181  -0.049
  108    H1   WMH 101          1HG       AZH   3  -2.511   1.464   4.695
  109    H2   WMH 101          2HG       AZH   3  -3.063   1.335   3.054
  110    H5   WMH 101           HD       PRG  11   0.044   4.539   1.653
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -8.445   1.233   2.499
    2    HA2  GLY   1          2HA       GLY   1  -7.625   1.497   4.754
    3    HA3  GLY   1          1HA       GLY   1  -8.451   0.005   5.167
    4    H    ARG   2           H        ARG   2  -7.356  -0.794   2.321
    5    HA   ARG   2           HA       ARG   2  -5.195  -2.302   3.397
    6    HB2  ARG   2          2HB       ARG   2  -6.054  -1.913   0.535
    7    HB3  ARG   2          1HB       ARG   2  -4.792  -3.014   1.046
    8    HG2  ARG   2          2HG       ARG   2  -7.691  -3.156   1.835
    9    HG3  ARG   2          1HG       ARG   2  -6.887  -4.161   0.632
   10    HD2  ARG   2          2HD       ARG   2  -6.249  -4.075   3.582
   11    HD3  ARG   2          1HD       ARG   2  -7.134  -5.343   2.744
   12    HE   ARG   2           HE       ARG   2  -4.519  -4.860   1.664
   13   HH11  ARG   2          1HH1      ARG   2  -6.322  -6.649   4.118
   14   HH12  ARG   2          2HH1      ARG   2  -5.174  -7.887   4.273
   15   HH21  ARG   2          1HH2      ARG   2  -2.932  -6.514   1.856
   16   HH22  ARG   2          2HH2      ARG   2  -3.167  -7.808   2.940
   17    H    ALA   3           H        AZH   3  -3.102  -2.012   3.289
   18    HA   ALA   3           HA       AZH   3  -2.036   0.195   1.733
   19    HB1  ALA   3          1HB       AZH   3  -0.419   0.308   3.857
   20    HB2  ALA   3          2HB       AZH   3  -1.868  -0.260   4.674
   21    H    THR   4           H        THR   4  -0.244  -0.346   0.675
   22    HA   THR   4           HA       THR   4   0.539  -3.070   0.657
   23    HB   THR   4           HB       THR   4   2.332  -1.017  -0.465
   24    HG1  THR   4          1HG       THR   4   0.017  -1.614  -1.953
   25   HG21  THR   4          1HG2      THR   4   1.016  -3.481  -1.560
   26   HG22  THR   4          2HG2      THR   4   2.656  -3.390  -0.894
   27   HG23  THR   4          3HG2      THR   4   2.252  -2.540  -2.394
   28    H    LYS   5           H        LYS   5   2.466  -3.886   1.362
   29    HA   LYS   5           HA       LYS   5   3.656  -2.492   3.631
   30    HB2  LYS   5          2HB       LYS   5   2.774  -4.806   3.881
   31    HB3  LYS   5          1HB       LYS   5   3.930  -5.326   2.671
   32    HG2  LYS   5          2HG       LYS   5   5.771  -4.815   4.139
   33    HG3  LYS   5          1HG       LYS   5   4.658  -4.161   5.344
   34    HD2  LYS   5          2HD       LYS   5   5.304  -6.446   5.940
   35    HD3  LYS   5          1HD       LYS   5   3.591  -6.359   5.551
   36    HE2  LYS   5          2HE       LYS   5   4.085  -7.190   3.275
   37    HE3  LYS   5          1HE       LYS   5   5.785  -7.337   3.719
   38    HZ1  LYS   5          1HZ       LYS   5   3.546  -8.766   5.031
   39    HZ2  LYS   5          2HZ       LYS   5   5.188  -8.987   5.346
   40    HZ3  LYS   5          3HZ       LYS   5   4.544  -9.414   3.844
   41    H    SER   6           H        SER   6   4.387  -3.906   0.509
   42    HA   SER   6           HA       SER   6   7.181  -3.467   0.671
   43    HB2  SER   6          2HB       SER   6   6.934  -3.991  -1.852
   44    HB3  SER   6          1HB       SER   6   6.532  -5.259  -0.693
   45    HG   SER   6           HG       SER   6   4.610  -5.271  -1.460
   46    H    ILE   7           H        ILE   7   8.370  -1.858  -0.336
   47    HA   ILE   7           HA       ILE   7   6.949   0.628  -0.627
   48    HB   ILE   7           HB       ILE   7   9.220   1.657  -0.894
   49   HG12  ILE   7          2HG1      ILE   7  10.224  -1.157  -0.353
   50   HG13  ILE   7          1HG1      ILE   7  10.369  -0.313  -1.888
   51   HG21  ILE   7          1HG2      ILE   7   9.939   1.283   1.432
   52   HG22  ILE   7          2HG2      ILE   7   8.838  -0.088   1.534
   53   HG23  ILE   7          3HG2      ILE   7   8.199   1.538   1.302
   54   HD11  ILE   7          1HD1      ILE   7  12.462  -0.287  -0.656
   55   HD12  ILE   7          2HD1      ILE   7  11.662   0.487   0.713
   56   HD13  ILE   7          3HD1      ILE   7  11.818   1.346  -0.819
   57    HA   PRO   8           HA       PRO   8   7.043   2.550  -1.541
   58    HB2  PRO   8          2HB       PRO   8   5.474   3.941  -3.214
   59    HB3  PRO   8          1HB       PRO   8   7.236   3.937  -3.374
   60    HG2  PRO   8          2HG       PRO   8   5.196   2.444  -4.952
   61    HG3  PRO   8          1HG       PRO   8   6.683   3.236  -5.500
   62    HD2  PRO   8          2HD       PRO   8   6.417   0.525  -5.018
   63    HD3  PRO   8          1HD       PRO   8   7.954   1.402  -5.046
   64    HA   PRO   9           HA       PRO   9   3.245   0.713  -0.174
   65    HB2  PRO   9          2HB       PRO   9   2.644   2.448   1.832
   66    HB3  PRO   9          1HB       PRO   9   3.909   1.221   1.972
   67    HG2  PRO   9          2HG       PRO   9   4.156   4.139   1.384
   68    HG3  PRO   9          1HG       PRO   9   5.176   3.114   2.408
   69    HD2  PRO   9          2HD       PRO   9   5.853   3.857  -0.126
   70    HD3  PRO   9          1HD       PRO   9   6.402   2.349   0.629
   71    H    ARG  10           H        ARG  10   1.257   0.882  -1.066
   72    HA   ARG  10           HA       ARG  10   0.252   3.552  -1.764
   73    HB2  ARG  10          2HB       ARG  10  -0.704   0.855  -2.745
   74    HB3  ARG  10          1HB       ARG  10  -1.159   2.432  -3.365
   75    HG2  ARG  10          2HG       ARG  10   1.097   2.751  -4.214
   76    HG3  ARG  10          1HG       ARG  10   1.555   1.168  -3.577
   77    HD2  ARG  10          2HD       ARG  10  -0.253   0.170  -4.977
   78    HD3  ARG  10          1HD       ARG  10  -0.485   1.757  -5.711
   79    HE   ARG  10           HE       ARG  10   2.205   0.809  -5.763
   80   HH11  ARG  10          1HH1      ARG  10  -0.873   0.797  -7.529
   81   HH12  ARG  10          2HH1      ARG  10  -0.139   0.394  -9.012
   82   HH21  ARG  10          1HH2      ARG  10   3.161   0.229  -7.803
   83   HH22  ARG  10          2HH2      ARG  10   2.180   0.091  -9.178
   84    H    ALA  11           H        PRG  11  -1.804   4.068  -0.916
   85    HA   ALA  11           HA       PRG  11  -2.874   1.972   0.748
   86    HB1  ALA  11          1HB       PRG  11  -3.519   3.496   2.518
   87    HB2  ALA  11          2HB       PRG  11  -2.877   4.881   1.679
   88    H    PHE  12           H        PHE  12  -4.807   1.554   0.690
   89    HA   PHE  12           HA       PHE  12  -6.296   2.731  -1.510
   90    HB2  PHE  12          2HB       PHE  12  -6.466   0.043  -0.134
   91    HB3  PHE  12          1HB       PHE  12  -7.462   0.545  -1.493
   92    HD1  PHE  12          1HD       PHE  12  -3.930  -0.254  -0.489
   93    HD2  PHE  12          2HD       PHE  12  -6.675   0.394  -3.706
   94    HE1  PHE  12          1HE       PHE  12  -2.272  -1.054  -2.062
   95    HE2  PHE  12          2HE       PHE  12  -4.984  -0.428  -5.283
   96    HZ   PHE  12           HZ       PHE  12  -2.780  -1.152  -4.463
   97    HA   PRO  13           HA       PRO  13  -9.292   4.556   1.135
   98    HB2  PRO  13          2HB       PRO  13 -11.609   4.038  -0.242
   99    HB3  PRO  13          1HB       PRO  13 -10.450   5.302  -0.672
  100    HG2  PRO  13          2HG       PRO  13 -10.717   2.532  -1.779
  101    HG3  PRO  13          1HG       PRO  13 -10.483   4.065  -2.642
  102    HD2  PRO  13          2HD       PRO  13  -8.436   2.425  -2.236
  103    HD3  PRO  13          1HD       PRO  13  -8.227   4.183  -2.072
  104    H    ASP  14           H        ASP  14  -9.571   1.190   0.422
  105    HA   ASP  14           HA       ASP  14 -11.724   0.821   2.318
  106    HB2  ASP  14          2HB       ASP  14 -11.750  -1.489   1.700
  107    HB3  ASP  14          1HB       ASP  14 -11.560  -0.563   0.221
  108    H1   WMH 101          1HG       AZH   3  -2.340   2.031   4.837
  109    H2   WMH 101          2HG       AZH   3  -2.896   1.725   3.229
  110    H5   WMH 101           HD       PRG  11  -0.183   5.112   1.528
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -8.593   1.391   2.816
    2    HA2  GLY   1          2HA       GLY   1  -7.466   0.855   4.849
    3    HA3  GLY   1          1HA       GLY   1  -8.767  -0.267   5.227
    4    H    ARG   2           H        ARG   2  -6.245   0.303   2.856
    5    HA   ARG   2           HA       ARG   2  -5.345  -2.404   3.059
    6    HB2  ARG   2          2HB       ARG   2  -7.166  -2.660   1.437
    7    HB3  ARG   2          1HB       ARG   2  -6.521  -1.338   0.480
    8    HG2  ARG   2          2HG       ARG   2  -4.565  -2.654  -0.066
    9    HG3  ARG   2          1HG       ARG   2  -5.138  -3.952   0.982
   10    HD2  ARG   2          2HD       ARG   2  -7.072  -4.282  -0.407
   11    HD3  ARG   2          1HD       ARG   2  -6.621  -2.913  -1.423
   12    HE   ARG   2           HE       ARG   2  -4.500  -4.649  -1.425
   13   HH11  ARG   2          1HH1      ARG   2  -7.865  -4.749  -2.467
   14   HH12  ARG   2          2HH1      ARG   2  -7.599  -5.856  -3.738
   15   HH21  ARG   2          1HH2      ARG   2  -4.104  -6.140  -3.215
   16   HH22  ARG   2          2HH2      ARG   2  -5.400  -6.669  -4.163
   17    H    ALA   3           H        AZH   3  -3.185  -2.229   3.012
   18    HA   ALA   3           HA       AZH   3  -1.892  -0.185   1.369
   19    HB1  ALA   3          1HB       AZH   3  -0.358   0.101   3.492
   20    HB2  ALA   3          2HB       AZH   3  -1.780  -0.457   4.358
   21    H    THR   4           H        THR   4  -0.092  -0.979   0.410
   22    HA   THR   4           HA       THR   4   0.570  -3.733   0.840
   23    HB   THR   4           HB       THR   4   2.313  -3.331  -0.918
   24    HG1  THR   4          1HG       THR   4   2.736  -1.433  -1.612
   25   HG21  THR   4          1HG2      THR   4   0.748  -2.969  -2.771
   26   HG22  THR   4          2HG2      THR   4  -0.460  -2.390  -1.627
   27   HG23  THR   4          3HG2      THR   4   0.084  -4.069  -1.562
   28    H    LYS   5           H        LYS   5   2.161  -4.524   2.109
   29    HA   LYS   5           HA       LYS   5   3.804  -2.629   3.492
   30    HB2  LYS   5          2HB       LYS   5   4.738  -4.606   4.739
   31    HB3  LYS   5          1HB       LYS   5   3.001  -4.432   4.865
   32    HG2  LYS   5          2HG       LYS   5   2.719  -6.219   3.195
   33    HG3  LYS   5          1HG       LYS   5   4.474  -6.391   3.111
   34    HD2  LYS   5          2HD       LYS   5   4.514  -6.924   5.518
   35    HD3  LYS   5          1HD       LYS   5   2.755  -6.809   5.558
   36    HE2  LYS   5          2HE       LYS   5   3.461  -9.124   5.422
   37    HE3  LYS   5          1HE       LYS   5   2.614  -8.661   3.954
   38    HZ1  LYS   5          1HZ       LYS   5   4.734  -8.391   2.846
   39    HZ2  LYS   5          2HZ       LYS   5   4.615  -9.942   3.469
   40    HZ3  LYS   5          3HZ       LYS   5   5.566  -8.796   4.247
   41    H    SER   6           H        SER   6   4.744  -1.797   1.657
   42    HA   SER   6           HA       SER   6   7.292  -2.877   0.941
   43    HB2  SER   6          2HB       SER   6   6.673  -2.849  -1.530
   44    HB3  SER   6          1HB       SER   6   6.012  -4.194  -0.592
   45    HG   SER   6           HG       SER   6   4.308  -2.351  -0.296
   46    H    ILE   7           H        ILE   7   8.367  -1.252  -0.558
   47    HA   ILE   7           HA       ILE   7   7.045   1.351  -0.468
   48    HB   ILE   7           HB       ILE   7  10.034   0.776  -0.206
   49   HG12  ILE   7          2HG1      ILE   7   9.787   2.195   1.933
   50   HG13  ILE   7          1HG1      ILE   7   8.057   1.971   1.753
   51   HG21  ILE   7          1HG2      ILE   7   9.713   2.700  -1.638
   52   HG22  ILE   7          2HG2      ILE   7  10.404   3.189  -0.093
   53   HG23  ILE   7          3HG2      ILE   7   8.693   3.466  -0.416
   54   HD11  ILE   7          1HD1      ILE   7   8.365  -0.451   1.969
   55   HD12  ILE   7          2HD1      ILE   7   8.984   0.422   3.370
   56   HD13  ILE   7          3HD1      ILE   7  10.102  -0.208   2.158
   57    HA   PRO   8           HA       PRO   8   6.788   3.203  -1.682
   58    HB2  PRO   8          2HB       PRO   8   5.064   3.109  -4.064
   59    HB3  PRO   8          1HB       PRO   8   5.974   4.470  -3.408
   60    HG2  PRO   8          2HG       PRO   8   6.726   3.306  -5.657
   61    HG3  PRO   8          1HG       PRO   8   7.934   3.828  -4.463
   62    HD2  PRO   8          2HD       PRO   8   6.817   1.078  -4.926
   63    HD3  PRO   8          1HD       PRO   8   8.513   1.581  -4.753
   64    HA   PRO   9           HA       PRO   9   3.386   0.673  -0.352
   65    HB2  PRO   9          2HB       PRO   9   2.373   2.346   1.510
   66    HB3  PRO   9          1HB       PRO   9   3.864   1.437   1.773
   67    HG2  PRO   9          2HG       PRO   9   3.489   4.311   1.109
   68    HG3  PRO   9          1HG       PRO   9   4.737   3.539   2.099
   69    HD2  PRO   9          2HD       PRO   9   5.030   4.373  -0.548
   70    HD3  PRO   9          1HD       PRO   9   6.098   3.243   0.311
   71    H    ARG  10           H        ARG  10   1.570   0.406  -1.412
   72    HA   ARG  10           HA       ARG  10   0.151   2.735  -2.471
   73    HB2  ARG  10          2HB       ARG  10  -0.071  -0.200  -3.171
   74    HB3  ARG  10          1HB       ARG  10  -1.024   1.079  -3.899
   75    HG2  ARG  10          2HG       ARG  10   1.958   0.707  -4.119
   76    HG3  ARG  10          1HG       ARG  10   0.754   0.421  -5.377
   77    HD2  ARG  10          2HD       ARG  10   1.479   3.071  -4.129
   78    HD3  ARG  10          1HD       ARG  10   1.843   2.531  -5.764
   79    HE   ARG  10           HE       ARG  10  -0.962   2.707  -4.962
   80   HH11  ARG  10          1HH1      ARG  10   1.697   4.082  -6.869
   81   HH12  ARG  10          2HH1      ARG  10   0.678   5.071  -7.801
   82   HH21  ARG  10          1HH2      ARG  10  -2.317   4.095  -6.184
   83   HH22  ARG  10          2HH2      ARG  10  -1.669   5.093  -7.396
   84    H    ALA  11           H        PRG  11  -1.782   3.256  -1.622
   85    HA   ALA  11           HA       PRG  11  -2.968   1.248   0.116
   86    HB1  ALA  11          1HB       PRG  11  -3.562   2.839   1.785
   87    HB2  ALA  11          2HB       PRG  11  -3.008   4.202   0.880
   88    H    PHE  12           H        PHE  12  -5.156   1.533   0.510
   89    HA   PHE  12           HA       PHE  12  -6.602   3.068  -1.503
   90    HB2  PHE  12          2HB       PHE  12  -7.246   0.262  -0.541
   91    HB3  PHE  12          1HB       PHE  12  -8.283   1.229  -1.575
   92    HD1  PHE  12          1HD       PHE  12  -7.503   1.839  -3.863
   93    HD2  PHE  12          2HD       PHE  12  -5.453  -0.976  -1.433
   94    HE1  PHE  12          1HE       PHE  12  -6.379   0.950  -5.852
   95    HE2  PHE  12          2HE       PHE  12  -4.325  -1.876  -3.409
   96    HZ   PHE  12           HZ       PHE  12  -4.787  -0.913  -5.636
   97    HA   PRO  13           HA       PRO  13  -8.443   4.846   2.045
   98    HB2  PRO  13          2HB       PRO  13 -11.002   5.110   0.601
   99    HB3  PRO  13          1HB       PRO  13  -9.936   6.364   1.241
  100    HG2  PRO  13          2HG       PRO  13 -10.107   5.938  -1.379
  101    HG3  PRO  13          1HG       PRO  13  -8.558   6.332  -0.613
  102    HD2  PRO  13          2HD       PRO  13  -9.616   3.663  -1.467
  103    HD3  PRO  13          1HD       PRO  13  -8.008   4.367  -1.729
  104    H    ASP  14           H        ASP  14  -9.821   1.963   0.804
  105    HA   ASP  14           HA       ASP  14 -11.833   1.813   2.891
  106    HB2  ASP  14          2HB       ASP  14 -12.516  -0.305   1.974
  107    HB3  ASP  14          1HB       ASP  14 -12.267   0.796   0.631
  108    H1   WMH 101          1HG       AZH   3  -2.285   1.850   4.406
  109    H2   WMH 101          2HG       AZH   3  -2.901   1.396   2.860
  110    H5   WMH 101           HD       PRG  11  -0.300   4.537   0.628
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -8.724   1.092   2.397
    2    HA2  GLY   1          2HA       GLY   1  -7.937   1.063   4.616
    3    HA3  GLY   1          1HA       GLY   1  -9.144  -0.161   4.997
    4    H    ARG   2           H        ARG   2  -6.362   0.291   2.869
    5    HA   ARG   2           HA       ARG   2  -5.137  -2.081   3.929
    6    HB2  ARG   2          2HB       ARG   2  -6.579  -2.933   2.059
    7    HB3  ARG   2          1HB       ARG   2  -5.748  -1.845   0.963
    8    HG2  ARG   2          2HG       ARG   2  -3.635  -3.018   1.433
    9    HG3  ARG   2          1HG       ARG   2  -4.512  -4.138   2.475
   10    HD2  ARG   2          2HD       ARG   2  -5.912  -4.768   0.542
   11    HD3  ARG   2          1HD       ARG   2  -4.926  -3.723  -0.483
   12    HE   ARG   2           HE       ARG   2  -3.394  -5.620   0.990
   13   HH11  ARG   2          1HH1      ARG   2  -5.214  -5.145  -2.022
   14   HH12  ARG   2          2HH1      ARG   2  -4.505  -6.466  -2.820
   15   HH21  ARG   2          1HH2      ARG   2  -2.427  -7.477  -0.136
   16   HH22  ARG   2          2HH2      ARG   2  -2.927  -7.822  -1.720
   17    H    ALA   3           H        AZH   3  -2.915  -1.918   3.685
   18    HA   ALA   3           HA       AZH   3  -1.895   0.289   2.081
   19    HB1  ALA   3          1HB       AZH   3  -0.233   0.585   4.108
   20    HB2  ALA   3          2HB       AZH   3  -1.561  -0.120   5.026
   21    H    THR   4           H        THR   4   0.045  -0.088   1.091
   22    HA   THR   4           HA       THR   4   0.642  -2.813   0.813
   23    HB   THR   4           HB       THR   4   2.421  -2.016  -0.756
   24    HG1  THR   4          1HG       THR   4   2.955   0.015  -0.808
   25   HG21  THR   4          1HG2      THR   4  -0.295  -0.742  -1.124
   26   HG22  THR   4          2HG2      THR   4   0.102  -2.413  -1.496
   27   HG23  THR   4          3HG2      THR   4   0.849  -1.107  -2.414
   28    H    LYS   5           H        LYS   5   2.214  -3.986   1.633
   29    HA   LYS   5           HA       LYS   5   3.784  -2.795   3.756
   30    HB2  LYS   5          2HB       LYS   5   3.528  -5.681   2.883
   31    HB3  LYS   5          1HB       LYS   5   4.438  -5.119   4.279
   32    HG2  LYS   5          2HG       LYS   5   2.394  -4.278   5.303
   33    HG3  LYS   5          1HG       LYS   5   1.467  -4.800   3.898
   34    HD2  LYS   5          2HD       LYS   5   2.126  -7.125   4.348
   35    HD3  LYS   5          1HD       LYS   5   3.027  -6.584   5.765
   36    HE2  LYS   5          2HE       LYS   5   0.971  -5.749   6.771
   37    HE3  LYS   5          1HE       LYS   5   0.060  -6.237   5.345
   38    HZ1  LYS   5          1HZ       LYS   5   1.513  -8.042   7.191
   39    HZ2  LYS   5          2HZ       LYS   5   0.694  -8.552   5.820
   40    HZ3  LYS   5          3HZ       LYS   5  -0.154  -7.856   7.110
   41    H    SER   6           H        SER   6   4.127  -3.796   0.507
   42    HA   SER   6           HA       SER   6   7.016  -3.599   0.666
   43    HB2  SER   6          2HB       SER   6   6.764  -4.378  -1.766
   44    HB3  SER   6          1HB       SER   6   6.326  -5.537  -0.509
   45    HG   SER   6           HG       SER   6   4.785  -4.397  -2.438
   46    H    ILE   7           H        ILE   7   8.081  -2.142  -0.812
   47    HA   ILE   7           HA       ILE   7   6.719   0.330  -1.029
   48    HB   ILE   7           HB       ILE   7   8.837   1.105  -2.245
   49   HG12  ILE   7          2HG1      ILE   7  10.897  -0.301  -1.723
   50   HG13  ILE   7          1HG1      ILE   7   9.818  -1.624  -1.345
   51   HG21  ILE   7          1HG2      ILE   7  10.106   1.273  -0.164
   52   HG22  ILE   7          2HG2      ILE   7   9.001   0.108   0.571
   53   HG23  ILE   7          3HG2      ILE   7   8.398   1.667   0.021
   54   HD11  ILE   7          1HD1      ILE   7  10.124  -0.289  -4.031
   55   HD12  ILE   7          2HD1      ILE   7   9.026  -1.618  -3.668
   56   HD13  ILE   7          3HD1      ILE   7  10.769  -1.863  -3.562
   57    HA   PRO   8           HA       PRO   8   7.124   2.257  -2.228
   58    HB2  PRO   8          2HB       PRO   8   5.444   3.917  -3.507
   59    HB3  PRO   8          1HB       PRO   8   6.972   3.420  -4.246
   60    HG2  PRO   8          2HG       PRO   8   4.212   2.349  -4.711
   61    HG3  PRO   8          1HG       PRO   8   5.455   2.780  -5.901
   62    HD2  PRO   8          2HD       PRO   8   4.994   0.228  -5.086
   63    HD3  PRO   8          1HD       PRO   8   6.587   0.798  -5.617
   64    HA   PRO   9           HA       PRO   9   3.653   2.167   0.652
   65    HB2  PRO   9          2HB       PRO   9   3.972   5.105   0.883
   66    HB3  PRO   9          1HB       PRO   9   4.051   3.874   2.146
   67    HG2  PRO   9          2HG       PRO   9   6.261   5.067   1.314
   68    HG3  PRO   9          1HG       PRO   9   6.259   3.328   1.658
   69    HD2  PRO   9          2HD       PRO   9   6.112   4.731  -0.987
   70    HD3  PRO   9          1HD       PRO   9   7.077   3.315  -0.511
   71    H    ARG  10           H        ARG  10   1.763   1.861  -0.264
   72    HA   ARG  10           HA       ARG  10   0.344   4.131  -1.389
   73    HB2  ARG  10          2HB       ARG  10   1.241   2.943  -3.285
   74    HB3  ARG  10          1HB       ARG  10   0.750   1.409  -2.594
   75    HG2  ARG  10          2HG       ARG  10  -1.574   1.954  -2.941
   76    HG3  ARG  10          1HG       ARG  10  -1.133   3.550  -3.551
   77    HD2  ARG  10          2HD       ARG  10  -1.613   1.858  -5.320
   78    HD3  ARG  10          1HD       ARG  10  -0.019   2.603  -5.438
   79    HE   ARG  10           HE       ARG  10   0.691   0.501  -4.133
   80   HH11  ARG  10          1HH1      ARG  10  -1.770   0.540  -6.663
   81   HH12  ARG  10          2HH1      ARG  10  -1.492  -1.063  -7.138
   82   HH21  ARG  10          1HH2      ARG  10   1.075  -1.659  -4.777
   83   HH22  ARG  10          2HH2      ARG  10   0.201  -2.330  -6.063
   84    H    ALA  11           H        PRG  11  -1.734   4.164  -0.645
   85    HA   ALA  11           HA       PRG  11  -2.560   1.765   0.752
   86    HB1  ALA  11          1HB       PRG  11  -3.598   3.074   2.495
   87    HB2  ALA  11          2HB       PRG  11  -3.191   4.585   1.740
   88    H    PHE  12           H        PHE  12  -4.706   1.412   0.848
   89    HA   PHE  12           HA       PHE  12  -6.078   2.424  -1.551
   90    HB2  PHE  12          2HB       PHE  12  -6.398  -0.236  -0.142
   91    HB3  PHE  12          1HB       PHE  12  -7.266   0.263  -1.585
   92    HD1  PHE  12          1HD       PHE  12  -6.075   0.481  -3.731
   93    HD2  PHE  12          2HD       PHE  12  -4.143  -1.044  -0.260
   94    HE1  PHE  12          1HE       PHE  12  -4.285  -0.453  -5.132
   95    HE2  PHE  12          2HE       PHE  12  -2.351  -1.978  -1.658
   96    HZ   PHE  12           HZ       PHE  12  -2.420  -1.682  -4.099
   97    HA   PRO  13           HA       PRO  13  -9.020   4.422   1.030
   98    HB2  PRO  13          2HB       PRO  13 -11.267   4.163  -0.551
   99    HB3  PRO  13          1HB       PRO  13 -10.004   5.375  -0.793
  100    HG2  PRO  13          2HG       PRO  13 -10.376   2.729  -2.142
  101    HG3  PRO  13          1HG       PRO  13  -9.925   4.290  -2.852
  102    HD2  PRO  13          2HD       PRO  13  -8.095   2.420  -2.399
  103    HD3  PRO  13          1HD       PRO  13  -7.729   4.133  -2.100
  104    H    ASP  14           H        ASP  14  -9.524   1.128   0.112
  105    HA   ASP  14           HA       ASP  14 -11.907   0.779   1.720
  106    HB2  ASP  14          2HB       ASP  14 -11.868  -1.507   0.999
  107    HB3  ASP  14          1HB       ASP  14 -11.518  -0.491  -0.393
  108    H1   WMH 101          1HG       AZH   3  -2.385   2.103   5.133
  109    H2   WMH 101          2HG       AZH   3  -2.829   1.688   3.539
  110    H5   WMH 101           HD       PRG  11  -0.509   5.228   1.647
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -8.817   0.678   2.118
    2    HA2  GLY   1          2HA       GLY   1  -8.154  -0.316   4.303
    3    HA3  GLY   1          1HA       GLY   1  -9.327  -1.574   3.948
    4    H    ARG   2           H        ARG   2  -6.335  -0.111   2.808
    5    HA   ARG   2           HA       ARG   2  -5.088  -2.601   2.413
    6    HB2  ARG   2          2HB       ARG   2  -6.405  -2.714   0.374
    7    HB3  ARG   2          1HB       ARG   2  -5.899  -1.100  -0.088
    8    HG2  ARG   2          2HG       ARG   2  -4.698  -2.760  -1.393
    9    HG3  ARG   2          1HG       ARG   2  -3.587  -1.897  -0.335
   10    HD2  ARG   2          2HD       ARG   2  -3.639  -3.751   1.247
   11    HD3  ARG   2          1HD       ARG   2  -4.774  -4.613   0.210
   12    HE   ARG   2           HE       ARG   2  -2.616  -4.062  -1.362
   13   HH11  ARG   2          1HH1      ARG   2  -3.183  -5.865   1.643
   14   HH12  ARG   2          2HH1      ARG   2  -1.915  -6.968   1.377
   15   HH21  ARG   2          1HH2      ARG   2  -0.827  -5.659  -1.727
   16   HH22  ARG   2          2HH2      ARG   2  -0.590  -6.856  -0.541
   17    H    ALA   3           H        AZH   3  -3.028  -2.246   2.786
   18    HA   ALA   3           HA       AZH   3  -1.723   0.098   1.739
   19    HB1  ALA   3          1HB       AZH   3  -0.472  -0.002   4.119
   20    HB2  ALA   3          2HB       AZH   3  -2.070  -0.527   4.624
   21    H    THR   4           H        THR   4   0.222  -0.366   0.951
   22    HA   THR   4           HA       THR   4   1.067  -3.079   1.324
   23    HB   THR   4           HB       THR   4   2.673  -2.556  -0.546
   24    HG1  THR   4          1HG       THR   4   2.859  -0.594  -1.163
   25   HG21  THR   4          1HG2      THR   4  -0.258  -2.076  -1.100
   26   HG22  THR   4          2HG2      THR   4   0.533  -3.649  -0.988
   27   HG23  THR   4          3HG2      THR   4   0.954  -2.538  -2.294
   28    H    LYS   5           H        LYS   5   2.628  -3.602   2.619
   29    HA   LYS   5           HA       LYS   5   4.049  -1.520   4.032
   30    HB2  LYS   5          2HB       LYS   5   4.216  -4.527   4.314
   31    HB3  LYS   5          1HB       LYS   5   4.919  -3.342   5.410
   32    HG2  LYS   5          2HG       LYS   5   2.633  -2.525   5.933
   33    HG3  LYS   5          1HG       LYS   5   1.981  -3.787   4.897
   34    HD2  LYS   5          2HD       LYS   5   1.869  -4.482   7.218
   35    HD3  LYS   5          1HD       LYS   5   3.025  -5.489   6.350
   36    HE2  LYS   5          2HE       LYS   5   3.875  -4.848   8.548
   37    HE3  LYS   5          1HE       LYS   5   4.876  -4.182   7.269
   38    HZ1  LYS   5          1HZ       LYS   5   2.816  -2.699   8.821
   39    HZ2  LYS   5          2HZ       LYS   5   3.735  -2.052   7.564
   40    HZ3  LYS   5          3HZ       LYS   5   4.489  -2.551   8.970
   41    H    SER   6           H        SER   6   4.389  -3.138   1.240
   42    HA   SER   6           HA       SER   6   7.251  -3.322   1.165
   43    HB2  SER   6          2HB       SER   6   6.622  -4.020  -1.210
   44    HB3  SER   6          1HB       SER   6   6.070  -5.071   0.097
   45    HG   SER   6           HG       SER   6   4.649  -3.962  -1.756
   46    H    ILE   7           H        ILE   7   8.288  -2.196  -0.770
   47    HA   ILE   7           HA       ILE   7   7.131   0.457  -1.022
   48    HB   ILE   7           HB       ILE   7   9.422   1.139  -1.836
   49   HG12  ILE   7          2HG1      ILE   7  10.214  -1.590  -0.781
   50   HG13  ILE   7          1HG1      ILE   7  10.258  -1.099  -2.470
   51   HG21  ILE   7          1HG2      ILE   7   9.207   0.049   0.958
   52   HG22  ILE   7          2HG2      ILE   7   8.695   1.643   0.407
   53   HG23  ILE   7          3HG2      ILE   7  10.407   1.219   0.417
   54   HD11  ILE   7          1HD1      ILE   7  11.977   0.555  -1.923
   55   HD12  ILE   7          2HD1      ILE   7  12.476  -1.079  -1.475
   56   HD13  ILE   7          3HD1      ILE   7  11.923   0.047  -0.236
   57    HA   PRO   8           HA       PRO   8   7.043   2.138  -2.192
   58    HB2  PRO   8          2HB       PRO   8   5.091   2.981  -4.120
   59    HB3  PRO   8          1HB       PRO   8   6.736   3.581  -3.915
   60    HG2  PRO   8          2HG       PRO   8   5.854   2.152  -6.110
   61    HG3  PRO   8          1HG       PRO   8   7.543   2.279  -5.598
   62    HD2  PRO   8          2HD       PRO   8   5.580   0.068  -5.132
   63    HD3  PRO   8          1HD       PRO   8   7.311  -0.027  -5.524
   64    HA   PRO   9           HA       PRO   9   3.220   0.995  -0.194
   65    HB2  PRO   9          2HB       PRO   9   2.840   3.192   1.332
   66    HB3  PRO   9          1HB       PRO   9   4.090   1.994   1.691
   67    HG2  PRO   9          2HG       PRO   9   4.337   4.654   0.364
   68    HG3  PRO   9          1HG       PRO   9   5.418   3.876   1.533
   69    HD2  PRO   9          2HD       PRO   9   5.860   3.940  -1.170
   70    HD3  PRO   9          1HD       PRO   9   6.502   2.684  -0.092
   71    H    ARG  10           H        ARG  10   1.302   1.011  -1.043
   72    HA   ARG  10           HA       ARG  10   0.120   3.505  -2.080
   73    HB2  ARG  10          2HB       ARG  10  -0.365   0.671  -3.070
   74    HB3  ARG  10          1HB       ARG  10  -1.111   2.127  -3.709
   75    HG2  ARG  10          2HG       ARG  10   1.819   1.436  -3.852
   76    HG3  ARG  10          1HG       ARG  10   0.658   1.309  -5.173
   77    HD2  ARG  10          2HD       ARG  10   1.399   3.854  -3.735
   78    HD3  ARG  10          1HD       ARG  10   2.055   3.355  -5.288
   79    HE   ARG  10           HE       ARG  10  -0.615   3.327  -5.688
   80   HH11  ARG  10          1HH1      ARG  10   1.640   5.800  -4.556
   81   HH12  ARG  10          2HH1      ARG  10   0.705   7.116  -5.088
   82   HH21  ARG  10          1HH2      ARG  10  -1.890   5.085  -6.447
   83   HH22  ARG  10          2HH2      ARG  10  -1.392   6.699  -6.242
   84    H    ALA  11           H        PRG  11  -1.631   4.052  -0.871
   85    HA   ALA  11           HA       PRG  11  -2.867   1.837   0.557
   86    HB1  ALA  11          1HB       PRG  11  -3.371   3.254   2.454
   87    HB2  ALA  11          2HB       PRG  11  -2.654   4.651   1.711
   88    H    PHE  12           H        PHE  12  -4.962   1.803   0.857
   89    HA   PHE  12           HA       PHE  12  -6.565   3.581  -0.860
   90    HB2  PHE  12          2HB       PHE  12  -6.903   0.609  -0.411
   91    HB3  PHE  12          1HB       PHE  12  -8.019   1.618  -1.302
   92    HD1  PHE  12          1HD       PHE  12  -4.633   0.138  -1.336
   93    HD2  PHE  12          2HD       PHE  12  -7.607   2.219  -3.564
   94    HE1  PHE  12          1HE       PHE  12  -3.405  -0.332  -3.403
   95    HE2  PHE  12          2HE       PHE  12  -6.378   1.760  -5.633
   96    HZ   PHE  12           HZ       PHE  12  -4.280   0.482  -5.563
   97    HA   PRO  13           HA       PRO  13  -8.681   4.401   2.968
   98    HB2  PRO  13          2HB       PRO  13 -11.038   5.341   1.900
   99    HB3  PRO  13          1HB       PRO  13  -9.570   6.306   2.083
  100    HG2  PRO  13          2HG       PRO  13 -10.627   4.897  -0.327
  101    HG3  PRO  13          1HG       PRO  13  -9.864   6.493  -0.210
  102    HD2  PRO  13          2HD       PRO  13  -8.521   4.352  -1.113
  103    HD3  PRO  13          1HD       PRO  13  -7.726   5.603  -0.139
  104    H    ASP  14           H        ASP  14  -9.947   2.255   0.550
  105    HA   ASP  14           HA       ASP  14 -12.161   1.348   2.122
  106    HB2  ASP  14          2HB       ASP  14 -12.448  -0.440   0.489
  107    HB3  ASP  14          1HB       ASP  14 -12.152   1.073  -0.349
  108    H1   WMH 101          1HG       AZH   3  -2.250   1.843   4.889
  109    H2   WMH 101          2HG       AZH   3  -2.874   1.524   3.299
  110    H5   WMH 101           HD       PRG  11   0.089   4.569   1.343
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -8.918   0.527   2.086
    2    HA2  GLY   1          2HA       GLY   1  -7.861   0.062   4.402
    3    HA3  GLY   1          1HA       GLY   1  -9.049  -1.229   4.437
    4    H    ARG   2           H        ARG   2  -6.319   0.016   2.597
    5    HA   ARG   2           HA       ARG   2  -5.158  -2.563   2.513
    6    HB2  ARG   2          2HB       ARG   2  -6.638  -2.843   0.576
    7    HB3  ARG   2          1HB       ARG   2  -6.052  -1.341  -0.120
    8    HG2  ARG   2          2HG       ARG   2  -3.825  -2.306  -0.374
    9    HG3  ARG   2          1HG       ARG   2  -4.387  -3.808   0.356
   10    HD2  ARG   2          2HD       ARG   2  -5.952  -4.130  -1.493
   11    HD3  ARG   2          1HD       ARG   2  -5.451  -2.593  -2.186
   12    HE   ARG   2           HE       ARG   2  -3.265  -3.541  -2.544
   13   HH11  ARG   2          1HH1      ARG   2  -5.818  -5.923  -1.873
   14   HH12  ARG   2          2HH1      ARG   2  -5.006  -7.177  -2.712
   15   HH21  ARG   2          1HH2      ARG   2  -2.221  -5.276  -3.678
   16   HH22  ARG   2          2HH2      ARG   2  -2.959  -6.815  -3.739
   17    H    ALA   3           H        AZH   3  -3.332  -1.902   3.273
   18    HA   ALA   3           HA       AZH   3  -1.862   0.168   1.824
   19    HB1  ALA   3          1HB       AZH   3  -0.656   0.264   4.208
   20    HB2  ALA   3          2HB       AZH   3  -2.248  -0.227   4.760
   21    H    THR   4           H        THR   4   0.064  -0.462   1.100
   22    HA   THR   4           HA       THR   4   0.757  -3.178   1.725
   23    HB   THR   4           HB       THR   4   2.329  -2.982  -0.221
   24    HG1  THR   4          1HG       THR   4   2.413  -1.210  -1.385
   25   HG21  THR   4          1HG2      THR   4  -0.561  -2.300  -0.765
   26   HG22  THR   4          2HG2      THR   4   0.088  -3.916  -0.496
   27   HG23  THR   4          3HG2      THR   4   0.565  -3.002  -1.927
   28    H    LYS   5           H        LYS   5   2.716  -3.795   2.498
   29    HA   LYS   5           HA       LYS   5   4.230  -1.685   3.805
   30    HB2  LYS   5          2HB       LYS   5   4.377  -4.690   4.108
   31    HB3  LYS   5          1HB       LYS   5   5.405  -3.561   4.979
   32    HG2  LYS   5          2HG       LYS   5   3.346  -2.560   5.972
   33    HG3  LYS   5          1HG       LYS   5   2.415  -3.842   5.196
   34    HD2  LYS   5          2HD       LYS   5   3.638  -5.524   6.452
   35    HD3  LYS   5          1HD       LYS   5   4.662  -4.279   7.165
   36    HE2  LYS   5          2HE       LYS   5   2.992  -4.897   8.778
   37    HE3  LYS   5          1HE       LYS   5   2.630  -3.277   8.198
   38    HZ1  LYS   5          1HZ       LYS   5   1.291  -5.787   7.361
   39    HZ2  LYS   5          2HZ       LYS   5   0.924  -4.264   6.728
   40    HZ3  LYS   5          3HZ       LYS   5   0.643  -4.601   8.359
   41    H    SER   6           H        SER   6   4.229  -3.201   0.922
   42    HA   SER   6           HA       SER   6   7.034  -3.441   0.553
   43    HB2  SER   6          2HB       SER   6   6.125  -3.723  -1.870
   44    HB3  SER   6          1HB       SER   6   5.775  -4.974  -0.674
   45    HG   SER   6           HG       SER   6   4.101  -3.052  -1.811
   46    H    ILE   7           H        ILE   7   8.040  -2.173  -1.282
   47    HA   ILE   7           HA       ILE   7   7.256   0.637  -0.973
   48    HB   ILE   7           HB       ILE   7   9.937  -0.549  -1.786
   49   HG12  ILE   7          2HG1      ILE   7   9.476  -0.971   0.578
   50   HG13  ILE   7          1HG1      ILE   7  10.758   0.219   0.407
   51   HG21  ILE   7          1HG2      ILE   7   9.215   2.325  -1.218
   52   HG22  ILE   7          2HG2      ILE   7   9.602   1.638  -2.796
   53   HG23  ILE   7          3HG2      ILE   7  10.838   1.716  -1.539
   54   HD11  ILE   7          1HD1      ILE   7   9.117   2.001   0.880
   55   HD12  ILE   7          2HD1      ILE   7   9.282   0.845   2.198
   56   HD13  ILE   7          3HD1      ILE   7   7.882   0.763   1.127
   57    HA   PRO   8           HA       PRO   8   7.123   2.499  -1.919
   58    HB2  PRO   8          2HB       PRO   8   5.070   3.516  -3.703
   59    HB3  PRO   8          1HB       PRO   8   6.659   4.199  -3.369
   60    HG2  PRO   8          2HG       PRO   8   5.982   3.137  -5.781
   61    HG3  PRO   8          1HG       PRO   8   7.638   3.130  -5.152
   62    HD2  PRO   8          2HD       PRO   8   5.597   0.931  -5.130
   63    HD3  PRO   8          1HD       PRO   8   7.327   0.852  -5.529
   64    HA   PRO   9           HA       PRO   9   3.515   0.878   0.142
   65    HB2  PRO   9          2HB       PRO   9   2.962   3.039   1.753
   66    HB3  PRO   9          1HB       PRO   9   4.188   1.823   2.113
   67    HG2  PRO   9          2HG       PRO   9   4.504   4.544   0.929
   68    HG3  PRO   9          1HG       PRO   9   5.542   3.708   2.094
   69    HD2  PRO   9          2HD       PRO   9   6.165   3.914  -0.524
   70    HD3  PRO   9          1HD       PRO   9   6.623   2.504   0.452
   71    H    ARG  10           H        ARG  10   1.640   0.734  -0.833
   72    HA   ARG  10           HA       ARG  10   0.376   3.167  -1.885
   73    HB2  ARG  10          2HB       ARG  10   0.111   0.305  -2.825
   74    HB3  ARG  10          1HB       ARG  10  -0.775   1.669  -3.484
   75    HG2  ARG  10          2HG       ARG  10   2.204   1.239  -3.598
   76    HG3  ARG  10          1HG       ARG  10   1.059   1.108  -4.936
   77    HD2  ARG  10          2HD       ARG  10   0.500   3.478  -4.670
   78    HD3  ARG  10          1HD       ARG  10   1.665   3.599  -3.354
   79    HE   ARG  10           HE       ARG  10   2.792   2.625  -5.773
   80   HH11  ARG  10          1HH1      ARG  10   1.905   5.550  -3.980
   81   HH12  ARG  10          2HH1      ARG  10   2.917   6.596  -4.840
   82   HH21  ARG  10          1HH2      ARG  10   4.263   4.073  -6.969
   83   HH22  ARG  10          2HH2      ARG  10   4.285   5.727  -6.585
   84    H    ALA  11           H        PRG  11  -1.566   3.687  -1.103
   85    HA   ALA  11           HA       PRG  11  -2.851   1.642   0.518
   86    HB1  ALA  11          1HB       PRG  11  -3.506   3.256   2.188
   87    HB2  ALA  11          2HB       PRG  11  -2.792   4.581   1.325
   88    H    PHE  12           H        PHE  12  -4.997   1.706   0.684
   89    HA   PHE  12           HA       PHE  12  -6.419   3.311  -1.312
   90    HB2  PHE  12          2HB       PHE  12  -6.854   0.372  -0.704
   91    HB3  PHE  12          1HB       PHE  12  -7.845   1.336  -1.780
   92    HD1  PHE  12          1HD       PHE  12  -7.112   1.870  -4.004
   93    HD2  PHE  12          2HD       PHE  12  -4.544  -0.250  -1.358
   94    HE1  PHE  12          1HE       PHE  12  -5.658   1.289  -5.889
   95    HE2  PHE  12          2HE       PHE  12  -3.076  -0.834  -3.249
   96    HZ   PHE  12           HZ       PHE  12  -3.631  -0.067  -5.515
   97    HA   PRO  13           HA       PRO  13  -8.966   4.969   1.854
   98    HB2  PRO  13          2HB       PRO  13 -11.146   4.056   0.040
   99    HB3  PRO  13          1HB       PRO  13 -10.974   5.592   0.887
  100    HG2  PRO  13          2HG       PRO  13 -10.328   5.441  -1.666
  101    HG3  PRO  13          1HG       PRO  13  -9.295   6.340  -0.541
  102    HD2  PRO  13          2HD       PRO  13  -8.827   3.709  -1.835
  103    HD3  PRO  13          1HD       PRO  13  -7.667   4.947  -1.319
  104    H    ASP  14           H        ASP  14 -10.554   2.028   0.551
  105    HA   ASP  14           HA       ASP  14 -12.062   1.683   2.927
  106    HB2  ASP  14          2HB       ASP  14 -13.007  -0.315   2.013
  107    HB3  ASP  14          1HB       ASP  14 -12.833   0.832   0.696
  108    H1   WMH 101          1HG       AZH   3  -2.473   2.145   4.826
  109    H2   WMH 101          2HG       AZH   3  -3.028   1.709   3.244
  110    H5   WMH 101           HD       PRG  11  -0.049   4.619   1.160