*HEADER    BIOSYNTHETIC PROTEIN                    19-AUG-19   6U24              
*TITLE     NMR SOLUTION STRUCTURE OF TRIAZOLE BRIDGED SFTI-1                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLY-ARG-ALA-THR-LYS-SER-ILE-PRO-PRO-ILE-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   01-JUL-20 6U24    0                                                
# Restraints file 1: restraints.tbl
!distance restraints
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.525    0.725    0.725  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.770    0.970    0.970  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.640    0.840    0.840  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.325    0.525    0.525  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.500    0.700    0.700  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.660    0.860    0.860  
assign (resid  12 and name  HB1)   (resid  13 and name  HD2)   2.610    0.810    0.810  
assign (resid  13 and name  HD2)   (resid  14 and name   HN)   3.025    1.225    1.225  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.850    1.050    1.050  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.850    1.050    1.050  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.320    0.520    0.520  
assign (resid   4 and name   HN)   (resid   4 and name HG2#)   2.650    0.850    0.850  
assign (resid   7 and name   HN)   (resid   7 and name   HB)   2.605    0.805    0.805  
assign (resid   7 and name   HN)   (resid   7 and name HG12)   3.335    1.535    1.535  
assign (resid   7 and name   HA)   (resid   8 and name   HA)   2.655    0.855    0.855  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.455    0.655    0.655  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.455    0.655    0.655  
assign (resid  11 and name   HD)   (resid  11 and name  HB1)   2.950    1.150    1.150  
assign (resid  11 and name   HD)   (resid  11 and name  HB2)   2.535    0.735    0.735  
assign (resid  11 and name   HD)   (resid  10 and name   HA)   3.350    1.550    1.550  
assign (resid  10 and name HG2#)   (resid  11 and name   HN)   2.920    1.120    1.120  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.320    0.520    0.520  
assign (resid   3 and name   HA)   (resid  12 and name   HN)   3.035    1.235    1.235  
assign (resid   4 and name   HN)   (resid  11 and name   HA)   3.095    1.295    1.295  
assign (resid   3 and name  HG1)   (resid  12 and name   HN)   3.220    1.420    1.420  
assign (resid   4 and name   HN)   (resid   4 and name   HB)   2.990    1.190    1.190  
assign (resid   3 and name   HN)   (resid   3 and name  HG2)   3.360    1.560    1.560  
assign (resid   4 and name   HB)   (resid   5 and name   HN)   2.420    0.620    0.620  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.365    0.565    0.565  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.335    0.535    0.535  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.460    0.660    0.660  
assign (resid   4 and name   HB)   (resid   6 and name   HN)   2.695    0.895    0.895  
assign (resid  12 and name  HB1)   (resid  14 and name   HN)   2.775    0.975    0.975  
assign (resid   2 and name   HN)   (resid  12 and name  HB2)   2.775    0.975    0.975  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.775    0.975    0.975  
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 HG2#)   3.475    1.675    1.675  
assign (resid   7 and name   HN)   (resid   7 and name HD1#)   3.610    1.810    1.810  
assign (resid   4 and name HG2#)   (resid   6 and name   HN)   3.030    1.230    1.230  
assign (resid   2 and name  HB2)   (resid  12 and name  HD#)   3.420    1.620    1.620  
assign (resid   2 and name  HB1)   (resid  12 and name  HD#)   3.420    1.620    1.620  
assign (resid   3 and name   HA)   (resid  11 and name   HA)   2.475    0.675    0.675  
assign (resid   3 and name   HA)   (resid   3 and name  HG1)   2.765    0.965    0.965  
assign (resid   3 and name  HG1)   (resid  11 and name   HA)   2.935    1.135    1.135  
assign (resid  10 and name   HB)   (resid  11 and name   HN)   3.105    1.305    1.305  
assign (resid   4 and name HG2#)   (resid   5 and name   HN)   3.230    1.430    1.430  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   3.105    1.305    1.305  
assign (resid  12 and name  HD#)   (resid  13 and name  HD2)   3.010    1.210    1.210  
assign (resid   6 and name   HN)   (resid   9 and name   HA)   3.130    1.330    1.330  
assign (resid   3 and name  HG1)   (resid  11 and name  HB1)   2.960    1.160    1.160  
assign (resid  11 and name   HA)   (resid  12 and name  HD#)   3.155    1.355    1.355  
assign (resid   3 and name   HA)   (resid  12 and name  HD#)   3.205    1.405    1.405  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.550    0.750    0.750  
assign (resid   1 and name   HN)   (resid  14 and name   HN)   2.675    0.875    0.875  
assign (resid   2 and name   HN)   (resid  12 and name   HN)   3.165    1.365    1.365  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.720    0.920    0.920  
assign (resid  12 and name   HN)   (resid  12 and name  HD#)   2.880    1.080    1.080  
assign (resid   4 and name   HN)   (resid  10 and name   HN)   3.150    1.350    1.350  
assign (resid   4 and name   HN)   (resid   6 and name   HN)   3.395    1.595    1.595  
assign (resid  11 and name   HD)   (resid  11 and name   HN)   2.840    1.040    1.040  
assign (resid   7 and name   HN)   (resid   7 and name HG11)   3.335    1.535    1.535  
assign (resid   1 and name   HN)   (resid  12 and name  HB2)   3.330    1.530    1.530  
assign (resid   4 and name   HN)   (resid   9 and name   HA)   3.485    1.685    1.685  
assign (resid   4 and name   HN)   (resid  10 and name   HA)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid   3 and name  HG1)   3.285    1.485    1.485  
assign (resid  12 and name  HB2)   (resid  13 and name  HD2)   3.195    1.395    1.395  
assign (resid   2 and name  HB2)   (resid  12 and name  HB2)   3.350    1.550    1.550  
assign (resid   2 and name  HB1)   (resid  12 and name  HB2)   3.350    1.550    1.550  
assign (resid   3 and name  HG1)   (resid  11 and name  HB2)   2.920    1.120    1.120  
assign (resid   8 and name   HA)   (resid   9 and name  HG2)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   9 and name  HG1)   3.650    1.850    1.850  
assign (resid   7 and name   HA)   (resid   7 and name HG2#)   2.515    0.715    0.715  
assign (resid   7 and name HG2#)   (resid   9 and name  HD1)   3.320    1.520    1.520  
assign (resid   7 and name HG2#)   (resid   8 and name  HD2)   3.390    1.590    1.590  
assign (resid   7 and name HG2#)   (resid   8 and name  HD1)   3.390    1.590    1.590  
assign (resid   7 and name HG2#)   (resid   9 and name  HD2)   3.320    1.520    1.520  
assign (resid   7 and name HG2#)   (resid   8 and name   HA)   2.660    0.860    0.860  
assign (resid  10 and name   HA)   (resid  10 and name HD1#)   3.035    1.235    1.235  
assign (resid  10 and name   HA)   (resid  10 and name HG2#)   2.750    0.950    0.950  
assign (resid  10 and name   HB)   (resid  10 and name HD1#)   2.875    1.075    1.075  
assign (resid  10 and name HG2#)   (resid  10 and name HG12)   2.980    1.180    1.180  
assign (resid  10 and name HG2#)   (resid  10 and name HG11)   2.980    1.180    1.180  
assign (resid   4 and name HG2#)   (resid   9 and name   HA)   3.390    1.590    1.590  
assign (resid   8 and name  HB1)   (resid   9 and name  HD2)   3.275    1.475    1.475  
assign (resid   8 and name  HB1)   (resid   9 and name  HD1)   3.275    1.475    1.475  
assign (resid   8 and name  HB2)   (resid   9 and name  HD1)   3.275    1.475    1.475  
assign (resid   8 and name  HB2)   (resid   9 and name  HD2)   3.275    1.475    1.475  
assign (resid   3 and name   HA)   (resid   4 and name HG2#)   3.165    1.365    1.365  
assign (resid   5 and name   HA)   (resid   5 and name  HD2)   3.650    1.850    1.850  
assign (resid   5 and name   HA)   (resid   5 and name  HD1)   3.650    1.850    1.850  
assign (resid   4 and name   HA)   (resid   4 and name HG2#)   2.680    0.880    0.880  
assign (resid   7 and name   HA)   (resid   9 and name  HD2)   3.050    1.250    1.250  
assign (resid   7 and name   HA)   (resid   9 and name  HD1)   3.050    1.250    1.250  
assign (resid   3 and name  HG2)   (resid  11 and name  HB1)   3.155    1.355    1.355  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.450    0.650    0.650  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   3.245    1.445    1.445  
assign (resid   2 and name  HB#)   (resid   2 and name   HE)   3.175    1.375    1.375  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.900    1.100    1.100  
assign (resid   2 and name  HB#)   (resid  12 and name  HB2)   3.050    1.250    1.250  
assign (resid   2 and name  HB#)   (resid  12 and name  HD#)   3.010    1.210    1.210  
assign (resid   2 and name  HG#)   (resid   3 and name   HN)   3.225    1.425    1.425  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.595    0.795    0.795  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.665    0.865    0.865  
assign (resid  11 and name   HD)   (resid   9 and name  HB#)   3.275    1.475    1.475  
assign (resid  11 and name   HD)   (resid   9 and name  HG#)   3.300    1.500    1.500  
assign (resid   4 and name HG2#)   (resid   6 and name  HB#)   3.535    1.735    1.735  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.545    0.745    0.745  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   3.245    1.445    1.445  
assign (resid   5 and name  HB#)   (resid   5 and name  HG#)   2.080    0.280    0.280  
assign (resid   5 and name  HG#)   (resid   6 and name   HN)   3.270    1.470    1.470  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.490    0.690    0.690  
assign (resid   7 and name   HN)   (resid   7 and name HG1#)   2.935    1.135    1.135  
assign (resid   7 and name   HA)   (resid   9 and name  HD#)   2.745    0.945    0.945  
assign (resid   7 and name HG2#)   (resid   8 and name  HB#)   3.185    1.385    1.385  
assign (resid   7 and name HG2#)   (resid   8 and name  HD#)   2.980    1.180    1.180  
assign (resid   7 and name HG2#)   (resid   9 and name  HD#)   2.920    1.120    1.120  
assign (resid   8 and name   HA)   (resid   9 and name  HG#)   3.265    1.465    1.465  
assign (resid   8 and name  HB#)   (resid   9 and name  HD#)   2.560    0.760    0.760  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.565    0.765    0.765  


!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 -130.1   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  154.4   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 -112.8   40.1 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  144.4   28.2 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0 -105.4   52.6 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  145.4   32.6 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -99.4   38.7 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  127.9   25.2 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  149.2   20.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -108.0   45.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  129.5   22.2 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -98.0   37.6 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  125.3   29.8 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0 -115.1   35.3 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0   91.8   37.9 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

!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
assign (resid 12 and name HN)(resid 2 and name O) 0 0 2
assign (resid 12 and name N)(resid 2 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -7.994  -0.967   1.485
    2    HA2  GLY   1          2HA       GLY   1  -7.410  -2.445   3.255
    3    HA3  GLY   1          1HA       GLY   1  -8.315  -3.729   2.438
    4    H    ARG   2           H        ARG   2  -6.252  -1.478   0.859
    5    HA   ARG   2           HA       ARG   2  -4.564  -3.732   0.035
    6    HB2  ARG   2          2HB       ARG   2  -6.198  -2.683  -1.595
    7    HB3  ARG   2          1HB       ARG   2  -5.205  -1.246  -1.511
    8    HG2  ARG   2          2HG       ARG   2  -3.295  -2.555  -2.345
    9    HG3  ARG   2          1HG       ARG   2  -4.362  -3.956  -2.496
   10    HD2  ARG   2          2HD       ARG   2  -4.577  -1.324  -3.944
   11    HD3  ARG   2          1HD       ARG   2  -4.235  -2.909  -4.635
   12    HE   ARG   2           HE       ARG   2  -6.747  -2.937  -3.308
   13   HH11  ARG   2          1HH1      ARG   2  -5.248  -1.712  -6.269
   14   HH12  ARG   2          2HH1      ARG   2  -6.697  -1.704  -7.148
   15   HH21  ARG   2          1HH2      ARG   2  -8.672  -2.930  -4.460
   16   HH22  ARG   2          2HH2      ARG   2  -8.740  -2.399  -6.083
   17    H    ALA   3           H        AZH   3  -2.592  -3.478   0.844
   18    HA   ALA   3           HA       AZH   3  -1.424  -0.808   1.052
   19    HB2  ALA   3          1HB       AZH   3  -0.267  -1.995   3.142
   20    HB3  ALA   3          2HB       AZH   3  -1.786  -2.882   3.163
   21    H    THR   4           H        THR   4   0.637  -0.707   0.239
   22    HA   THR   4           HA       THR   4   1.691  -3.178  -0.762
   23    HB   THR   4           HB       THR   4   3.292  -1.633  -1.925
   24    HG1  THR   4          1HG       THR   4   3.192   0.432  -1.635
   25   HG21  THR   4          1HG2      THR   4   0.356  -1.064  -2.373
   26   HG22  THR   4          2HG2      THR   4   1.273  -2.400  -3.072
   27   HG23  THR   4          3HG2      THR   4   1.648  -0.738  -3.527
   28    H    LYS   5           H        LYS   5   3.595  -3.978  -0.070
   29    HA   LYS   5           HA       LYS   5   4.733  -2.836   2.359
   30    HB2  LYS   5          2HB       LYS   5   5.253  -5.417   0.891
   31    HB3  LYS   5          1HB       LYS   5   6.096  -4.936   2.361
   32    HG2  LYS   5          2HG       LYS   5   4.088  -4.990   3.618
   33    HG3  LYS   5          1HG       LYS   5   3.116  -5.212   2.168
   34    HD2  LYS   5          2HD       LYS   5   4.170  -7.392   1.812
   35    HD3  LYS   5          1HD       LYS   5   5.139  -7.158   3.269
   36    HE2  LYS   5          2HE       LYS   5   3.192  -8.570   3.696
   37    HE3  LYS   5          1HE       LYS   5   3.129  -7.067   4.618
   38    HZ1  LYS   5          1HZ       LYS   5   1.579  -6.191   2.968
   39    HZ2  LYS   5          2HZ       LYS   5   0.981  -7.576   3.680
   40    HZ3  LYS   5          3HZ       LYS   5   1.619  -7.639   2.115
   41    H    SER   6           H        SER   6   5.120  -2.769  -0.915
   42    HA   SER   6           HA       SER   6   7.971  -2.410  -1.024
   43    HB2  SER   6          2HB       SER   6   5.839  -1.745  -3.068
   44    HB3  SER   6          1HB       SER   6   7.571  -1.911  -3.372
   45    HG   SER   6           HG       SER   6   6.844  -4.107  -2.172
   46    H    ILE   7           H        ILE   7   9.022  -0.451  -1.112
   47    HA   ILE   7           HA       ILE   7   7.671   1.687   0.229
   48    HB   ILE   7           HB       ILE   7  10.507   1.524  -0.850
   49   HG12  ILE   7          2HG1      ILE   7   9.451   1.050   1.944
   50   HG13  ILE   7          1HG1      ILE   7   9.968  -0.207   0.828
   51   HG21  ILE   7          1HG2      ILE   7   9.769   3.848  -0.486
   52   HG22  ILE   7          2HG2      ILE   7  11.013   3.370   0.670
   53   HG23  ILE   7          3HG2      ILE   7   9.326   3.438   1.174
   54   HD11  ILE   7          1HD1      ILE   7  11.699   1.942   2.027
   55   HD12  ILE   7          2HD1      ILE   7  12.231   0.722   0.871
   56   HD13  ILE   7          3HD1      ILE   7  11.673   0.233   2.468
   57    HA   PRO   8           HA       PRO   8   7.255   3.652   0.476
   58    HB2  PRO   8          2HB       PRO   8   5.341   5.455   0.012
   59    HB3  PRO   8          1HB       PRO   8   7.048   5.831  -0.235
   60    HG2  PRO   8          2HG       PRO   8   4.943   5.175  -2.242
   61    HG3  PRO   8          1HG       PRO   8   6.260   6.352  -2.347
   62    HD2  PRO   8          2HD       PRO   8   6.287   3.815  -3.475
   63    HD3  PRO   8          1HD       PRO   8   7.726   4.789  -3.136
   64    HA   PRO   9           HA       PRO   9   3.772   0.901   0.862
   65    HB2  PRO   9          2HB       PRO   9   3.200   1.402   3.506
   66    HB3  PRO   9          1HB       PRO   9   4.475   0.305   2.968
   67    HG2  PRO   9          2HG       PRO   9   4.676   3.096   3.972
   68    HG3  PRO   9          1HG       PRO   9   5.788   1.741   4.190
   69    HD2  PRO   9          2HD       PRO   9   6.198   3.785   2.416
   70    HD3  PRO   9          1HD       PRO   9   6.871   2.158   2.218
   71    H    ILE  10           H        ILE  10   2.139   1.708  -0.284
   72    HA   ILE  10           HA       ILE  10   0.729   4.034   0.762
   73    HB   ILE  10           HB       ILE  10  -0.326   4.188  -1.496
   74   HG12  ILE  10          2HG1      ILE  10   1.663   2.019  -2.229
   75   HG13  ILE  10          1HG1      ILE  10  -0.084   1.836  -2.182
   76   HG21  ILE  10          1HG2      ILE  10   1.588   5.565  -0.963
   77   HG22  ILE  10          2HG2      ILE  10   1.651   5.074  -2.657
   78   HG23  ILE  10          3HG2      ILE  10   2.685   4.280  -1.470
   79   HD11  ILE  10          1HD1      ILE  10   0.700   2.061  -4.450
   80   HD12  ILE  10          2HD1      ILE  10   1.480   3.595  -4.053
   81   HD13  ILE  10          3HD1      ILE  10  -0.279   3.461  -4.005
   82    H    ALA  11           H        PRG  11  -1.433   3.904   1.198
   83    HA   ALA  11           HA       PRG  11  -2.476   1.203   1.069
   84    HB1  ALA  11          1HB       PRG  11  -3.425   1.363   3.263
   85    HB2  ALA  11          2HB       PRG  11  -2.846   2.985   3.505
   86    H    PHE  12           H        PHE  12  -4.462   0.947   0.692
   87    HA   PHE  12           HA       PHE  12  -6.065   3.309  -0.001
   88    HB2  PHE  12          2HB       PHE  12  -6.120   0.585  -1.332
   89    HB3  PHE  12          1HB       PHE  12  -7.058   1.991  -1.797
   90    HD1  PHE  12          1HD       PHE  12  -3.939   0.240  -2.172
   91    HD2  PHE  12          2HD       PHE  12  -5.850   4.002  -2.733
   92    HE1  PHE  12          1HE       PHE  12  -2.176   0.896  -3.745
   93    HE2  PHE  12          2HE       PHE  12  -4.083   4.661  -4.304
   94    HZ   PHE  12           HZ       PHE  12  -2.249   3.110  -4.817
   95    HA   PRO  13           HA       PRO  13  -8.897   1.978   3.239
   96    HB2  PRO  13          2HB       PRO  13 -10.875   2.837   1.197
   97    HB3  PRO  13          1HB       PRO  13 -10.788   3.249   2.910
   98    HG2  PRO  13          2HG       PRO  13  -9.989   4.979   1.024
   99    HG3  PRO  13          1HG       PRO  13  -9.176   4.862   2.588
  100    HD2  PRO  13          2HD       PRO  13  -8.245   4.014  -0.080
  101    HD3  PRO  13          1HD       PRO  13  -7.315   4.426   1.368
  102    H    ASP  14           H        ASP  14  -9.260   0.989  -0.061
  103    HA   ASP  14           HA       ASP  14 -11.053  -1.108  -0.097
  104    HB2  ASP  14          2HB       ASP  14  -9.989  -0.451  -2.114
  105    HB3  ASP  14          1HB       ASP  14  -8.389  -0.717  -1.451
  106    H1   WMH 101          1HG       AZH   3  -2.510  -1.053   4.472
  107    H2   WMH 101          2HG       AZH   3  -2.697  -0.436   2.878
  108    H5   WMH 101           HD       PRG  11  -0.160   3.303   3.894
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -8.026  -1.066   1.172
    2    HA2  GLY   1          2HA       GLY   1  -7.789  -2.711   2.953
    3    HA3  GLY   1          1HA       GLY   1  -8.779  -3.801   1.982
    4    H    ARG   2           H        ARG   2  -6.043  -1.725   1.130
    5    HA   ARG   2           HA       ARG   2  -4.408  -4.024   0.539
    6    HB2  ARG   2          2HB       ARG   2  -5.322  -2.053  -1.547
    7    HB3  ARG   2          1HB       ARG   2  -3.828  -2.959  -1.715
    8    HG2  ARG   2          2HG       ARG   2  -5.046  -5.043  -1.705
    9    HG3  ARG   2          1HG       ARG   2  -6.551  -4.183  -1.378
   10    HD2  ARG   2          2HD       ARG   2  -4.854  -3.768  -3.824
   11    HD3  ARG   2          1HD       ARG   2  -6.245  -4.848  -3.756
   12    HE   ARG   2           HE       ARG   2  -7.601  -2.907  -3.221
   13   HH11  ARG   2          1HH1      ARG   2  -4.439  -2.281  -4.747
   14   HH12  ARG   2          2HH1      ARG   2  -4.927  -0.846  -5.508
   15   HH21  ARG   2          1HH2      ARG   2  -8.271  -0.934  -4.323
   16   HH22  ARG   2          2HH2      ARG   2  -7.162  -0.062  -5.263
   17    H    ALA   3           H        AZH   3  -2.266  -3.578   0.606
   18    HA   ALA   3           HA       AZH   3  -1.378  -0.850   1.070
   19    HB2  ALA   3          1HB       AZH   3   0.002  -2.073   3.008
   20    HB3  ALA   3          2HB       AZH   3  -1.440  -3.076   3.046
   21    H    THR   4           H        THR   4   0.589  -0.512   0.112
   22    HA   THR   4           HA       THR   4   1.803  -2.732  -1.172
   23    HB   THR   4           HB       THR   4   3.544  -0.990  -1.814
   24    HG1  THR   4          1HG       THR   4   3.388   0.960  -1.060
   25   HG21  THR   4          1HG2      THR   4   0.658  -0.363  -2.464
   26   HG22  THR   4          2HG2      THR   4   1.674  -1.537  -3.301
   27   HG23  THR   4          3HG2      THR   4   2.058   0.182  -3.387
   28    H    LYS   5           H        LYS   5   3.602  -3.768  -0.572
   29    HA   LYS   5           HA       LYS   5   4.458  -3.266   2.186
   30    HB2  LYS   5          2HB       LYS   5   4.607  -5.816   0.575
   31    HB3  LYS   5          1HB       LYS   5   5.058  -5.638   2.264
   32    HG2  LYS   5          2HG       LYS   5   2.284  -5.323   1.110
   33    HG3  LYS   5          1HG       LYS   5   2.860  -6.676   2.073
   34    HD2  LYS   5          2HD       LYS   5   2.621  -3.809   3.032
   35    HD3  LYS   5          1HD       LYS   5   1.476  -5.097   3.373
   36    HE2  LYS   5          2HE       LYS   5   4.380  -5.071   4.214
   37    HE3  LYS   5          1HE       LYS   5   3.012  -4.683   5.252
   38    HZ1  LYS   5          1HZ       LYS   5   2.179  -6.930   4.902
   39    HZ2  LYS   5          2HZ       LYS   5   3.705  -6.948   5.601
   40    HZ3  LYS   5          3HZ       LYS   5   3.517  -7.325   3.971
   41    H    SER   6           H        SER   6   5.356  -2.012  -0.258
   42    HA   SER   6           HA       SER   6   8.187  -2.339   0.147
   43    HB2  SER   6          2HB       SER   6   8.488  -2.141  -2.350
   44    HB3  SER   6          1HB       SER   6   7.758  -3.664  -1.848
   45    HG   SER   6           HG       SER   6   6.765  -1.683  -3.414
   46    H    ILE   7           H        ILE   7   9.235  -0.326  -0.851
   47    HA   ILE   7           HA       ILE   7   7.762   1.967   0.007
   48    HB   ILE   7           HB       ILE   7  10.462   1.739  -1.353
   49   HG12  ILE   7          2HG1      ILE   7  10.457   0.610   0.790
   50   HG13  ILE   7          1HG1      ILE   7  11.406   2.087   0.898
   51   HG21  ILE   7          1HG2      ILE   7   9.547   3.964  -1.663
   52   HG22  ILE   7          2HG2      ILE   7  10.928   3.991  -0.567
   53   HG23  ILE   7          3HG2      ILE   7   9.292   4.117   0.078
   54   HD11  ILE   7          1HD1      ILE   7   8.609   1.670   1.939
   55   HD12  ILE   7          2HD1      ILE   7   9.501   3.191   2.003
   56   HD13  ILE   7          3HD1      ILE   7  10.089   1.781   2.891
   57    HA   PRO   8           HA       PRO   8   7.159   3.833  -0.232
   58    HB2  PRO   8          2HB       PRO   8   5.116   5.431  -0.987
   59    HB3  PRO   8          1HB       PRO   8   6.797   5.785  -1.391
   60    HG2  PRO   8          2HG       PRO   8   4.613   4.855  -3.132
   61    HG3  PRO   8          1HG       PRO   8   6.112   5.686  -3.559
   62    HD2  PRO   8          2HD       PRO   8   5.519   2.876  -3.733
   63    HD3  PRO   8          1HD       PRO   8   7.017   3.708  -4.180
   64    HA   PRO   9           HA       PRO   9   3.766   1.301   1.072
   65    HB2  PRO   9          2HB       PRO   9   3.596   2.040   3.658
   66    HB3  PRO   9          1HB       PRO   9   4.945   1.079   3.043
   67    HG2  PRO   9          2HG       PRO   9   4.829   3.984   3.668
   68    HG3  PRO   9          1HG       PRO   9   6.158   2.838   3.917
   69    HD2  PRO   9          2HD       PRO   9   5.966   4.628   1.801
   70    HD3  PRO   9          1HD       PRO   9   6.966   3.163   1.809
   71    H    ILE  10           H        ILE  10   2.108   2.141  -0.133
   72    HA   ILE  10           HA       ILE  10   0.599   4.306   1.105
   73    HB   ILE  10           HB       ILE  10   1.305   4.895  -1.176
   74   HG12  ILE  10          2HG1      ILE  10  -0.914   5.341  -2.223
   75   HG13  ILE  10          1HG1      ILE  10  -1.653   4.274  -1.037
   76   HG21  ILE  10          1HG2      ILE  10   0.552   3.667  -3.153
   77   HG22  ILE  10          2HG2      ILE  10  -0.105   2.409  -2.106
   78   HG23  ILE  10          3HG2      ILE  10   1.632   2.713  -2.134
   79   HD11  ILE  10          1HD1      ILE  10  -0.938   5.774   0.758
   80   HD12  ILE  10          2HD1      ILE  10  -1.931   6.614  -0.431
   81   HD13  ILE  10          3HD1      ILE  10  -0.184   6.835  -0.433
   82    H    ALA  11           H        PRG  11  -1.437   3.871   1.786
   83    HA   ALA  11           HA       PRG  11  -2.280   1.151   1.266
   84    HB1  ALA  11          1HB       PRG  11  -3.301   1.068   3.448
   85    HB2  ALA  11          2HB       PRG  11  -2.798   2.684   3.839
   86    H    PHE  12           H        PHE  12  -4.307   0.732   0.924
   87    HA   PHE  12           HA       PHE  12  -5.885   2.992  -0.038
   88    HB2  PHE  12          2HB       PHE  12  -5.888   0.083  -0.879
   89    HB3  PHE  12          1HB       PHE  12  -6.897   1.334  -1.579
   90    HD1  PHE  12          1HD       PHE  12  -5.928   3.029  -3.044
   91    HD2  PHE  12          2HD       PHE  12  -3.552  -0.107  -1.423
   92    HE1  PHE  12          1HE       PHE  12  -4.161   3.513  -4.693
   93    HE2  PHE  12          2HE       PHE  12  -1.789   0.368  -3.060
   94    HZ   PHE  12           HZ       PHE  12  -2.089   2.181  -4.698
   95    HA   PRO  13           HA       PRO  13  -8.810   1.943   3.264
   96    HB2  PRO  13          2HB       PRO  13 -11.028   3.007   1.896
   97    HB3  PRO  13          1HB       PRO  13 -10.009   3.874   3.041
   98    HG2  PRO  13          2HG       PRO  13  -9.956   3.895   0.070
   99    HG3  PRO  13          1HG       PRO  13  -9.580   5.192   1.209
  100    HD2  PRO  13          2HD       PRO  13  -7.670   3.873  -0.128
  101    HD3  PRO  13          1HD       PRO  13  -7.413   4.454   1.531
  102    H    ASP  14           H        ASP  14  -9.079   1.147  -0.045
  103    HA   ASP  14           HA       ASP  14 -11.161  -0.645  -0.302
  104    HB2  ASP  14          2HB       ASP  14  -9.747   0.103  -2.144
  105    HB3  ASP  14          1HB       ASP  14  -8.379  -0.775  -1.476
  106    H1   WMH 101          1HG       AZH   3  -2.242  -1.402   4.513
  107    H2   WMH 101          2HG       AZH   3  -2.533  -0.665   2.984
  108    H5   WMH 101           HD       PRG  11  -0.070   3.078   4.171
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -8.023  -0.861   1.611
    2    HA2  GLY   1          2HA       GLY   1  -7.446  -2.167   3.594
    3    HA3  GLY   1          1HA       GLY   1  -8.464  -3.454   2.957
    4    H    ARG   2           H        ARG   2  -6.549  -1.687   0.767
    5    HA   ARG   2           HA       ARG   2  -4.812  -4.017   0.454
    6    HB2  ARG   2          2HB       ARG   2  -5.884  -2.040  -1.554
    7    HB3  ARG   2          1HB       ARG   2  -4.485  -3.046  -1.917
    8    HG2  ARG   2          2HG       ARG   2  -5.772  -5.042  -1.698
    9    HG3  ARG   2          1HG       ARG   2  -7.144  -4.152  -1.045
   10    HD2  ARG   2          2HD       ARG   2  -6.059  -3.625  -3.798
   11    HD3  ARG   2          1HD       ARG   2  -7.265  -4.877  -3.501
   12    HE   ARG   2           HE       ARG   2  -8.540  -2.955  -2.419
   13   HH11  ARG   2          1HH1      ARG   2  -6.627  -2.718  -5.383
   14   HH12  ARG   2          2HH1      ARG   2  -7.485  -1.406  -6.024
   15   HH21  ARG   2          1HH2      ARG   2  -9.774  -1.098  -3.369
   16   HH22  ARG   2          2HH2      ARG   2  -9.299  -0.484  -4.862
   17    H    ALA   3           H        AZH   3  -2.650  -3.761   0.551
   18    HA   ALA   3           HA       AZH   3  -1.504  -1.092   0.826
   19    HB2  ALA   3          1HB       AZH   3  -0.294  -2.232   2.918
   20    HB3  ALA   3          2HB       AZH   3  -1.806  -3.126   2.989
   21    H    THR   4           H        THR   4   0.670  -0.995   0.165
   22    HA   THR   4           HA       THR   4   1.675  -3.441  -0.984
   23    HB   THR   4           HB       THR   4   3.223  -1.882  -2.177
   24    HG1  THR   4          1HG       THR   4   3.077   0.238  -1.897
   25   HG21  THR   4          1HG2      THR   4   0.291  -1.183  -2.419
   26   HG22  THR   4          2HG2      THR   4   1.089  -2.541  -3.207
   27   HG23  THR   4          3HG2      THR   4   1.521  -0.887  -3.646
   28    H    LYS   5           H        LYS   5   3.911  -4.001  -0.618
   29    HA   LYS   5           HA       LYS   5   4.860  -3.203   2.042
   30    HB2  LYS   5          2HB       LYS   5   5.754  -5.448   0.236
   31    HB3  LYS   5          1HB       LYS   5   6.339  -5.155   1.867
   32    HG2  LYS   5          2HG       LYS   5   4.126  -5.606   2.746
   33    HG3  LYS   5          1HG       LYS   5   3.518  -5.852   1.109
   34    HD2  LYS   5          2HD       LYS   5   5.105  -7.706   0.819
   35    HD3  LYS   5          1HD       LYS   5   5.652  -7.478   2.481
   36    HE2  LYS   5          2HE       LYS   5   4.032  -9.298   2.301
   37    HE3  LYS   5          1HE       LYS   5   3.428  -7.980   3.304
   38    HZ1  LYS   5          1HZ       LYS   5   2.702  -8.411   0.447
   39    HZ2  LYS   5          2HZ       LYS   5   2.069  -7.223   1.471
   40    HZ3  LYS   5          3HZ       LYS   5   1.766  -8.837   1.768
   41    H    SER   6           H        SER   6   5.313  -2.516  -1.157
   42    HA   SER   6           HA       SER   6   8.145  -2.109  -1.099
   43    HB2  SER   6          2HB       SER   6   7.516  -1.027  -3.376
   44    HB3  SER   6          1HB       SER   6   7.317  -2.774  -3.189
   45    HG   SER   6           HG       SER   6   5.368  -0.752  -3.025
   46    H    ILE   7           H        ILE   7   9.131  -0.244  -0.582
   47    HA   ILE   7           HA       ILE   7   7.535   1.788   0.704
   48    HB   ILE   7           HB       ILE   7  10.552   1.661   0.351
   49   HG12  ILE   7          2HG1      ILE   7   9.784  -0.354   1.514
   50   HG13  ILE   7          1HG1      ILE   7  10.655   0.697   2.620
   51   HG21  ILE   7          1HG2      ILE   7   9.747   3.879   0.965
   52   HG22  ILE   7          2HG2      ILE   7  10.655   3.147   2.287
   53   HG23  ILE   7          3HG2      ILE   7   8.897   3.197   2.352
   54   HD11  ILE   7          1HD1      ILE   7   7.668   0.348   2.446
   55   HD12  ILE   7          2HD1      ILE   7   8.499   1.461   3.535
   56   HD13  ILE   7          3HD1      ILE   7   8.732  -0.278   3.706
   57    HA   PRO   8           HA       PRO   8   7.218   3.835   1.107
   58    HB2  PRO   8          2HB       PRO   8   5.398   5.696  -0.055
   59    HB3  PRO   8          1HB       PRO   8   6.835   6.061   0.897
   60    HG2  PRO   8          2HG       PRO   8   6.490   6.604  -1.816
   61    HG3  PRO   8          1HG       PRO   8   8.030   6.598  -0.952
   62    HD2  PRO   8          2HD       PRO   8   6.832   4.536  -2.721
   63    HD3  PRO   8          1HD       PRO   8   8.539   4.946  -2.459
   64    HA   PRO   9           HA       PRO   9   3.843   1.062   0.316
   65    HB2  PRO   9          2HB       PRO   9   2.748   1.058   2.815
   66    HB3  PRO   9          1HB       PRO   9   4.205   0.149   2.400
   67    HG2  PRO   9          2HG       PRO   9   3.937   2.768   3.801
   68    HG3  PRO   9          1HG       PRO   9   5.065   1.438   4.114
   69    HD2  PRO   9          2HD       PRO   9   5.726   3.712   2.770
   70    HD3  PRO   9          1HD       PRO   9   6.530   2.154   2.505
   71    H    ILE  10           H        ILE  10   1.985   1.501  -0.607
   72    HA   ILE  10           HA       ILE  10   0.578   3.916   0.221
   73    HB   ILE  10           HB       ILE  10   1.303   4.046  -2.118
   74   HG12  ILE  10          2HG1      ILE  10  -0.889   4.377  -3.263
   75   HG13  ILE  10          1HG1      ILE  10  -1.675   3.591  -1.899
   76   HG21  ILE  10          1HG2      ILE  10  -0.204   1.497  -2.598
   77   HG22  ILE  10          2HG2      ILE  10   1.543   1.723  -2.667
   78   HG23  ILE  10          3HG2      ILE  10   0.504   2.517  -3.850
   79   HD11  ILE  10          1HD1      ILE  10  -1.820   6.024  -1.778
   80   HD12  ILE  10          2HD1      ILE  10  -0.059   6.123  -1.758
   81   HD13  ILE  10          3HD1      ILE  10  -0.916   5.356  -0.421
   82    H    ALA  11           H        PRG  11  -1.416   3.676   1.060
   83    HA   ALA  11           HA       PRG  11  -2.464   0.979   0.873
   84    HB1  ALA  11          1HB       PRG  11  -3.424   1.160   3.083
   85    HB2  ALA  11          2HB       PRG  11  -2.819   2.774   3.310
   86    H    PHE  12           H        PHE  12  -4.412   0.682   0.441
   87    HA   PHE  12           HA       PHE  12  -5.940   2.993  -0.519
   88    HB2  PHE  12          2HB       PHE  12  -6.220   0.061  -1.260
   89    HB3  PHE  12          1HB       PHE  12  -7.049   1.413  -2.021
   90    HD1  PHE  12          1HD       PHE  12  -5.652   3.130  -3.269
   91    HD2  PHE  12          2HD       PHE  12  -4.118  -0.643  -2.030
   92    HE1  PHE  12          1HE       PHE  12  -3.819   3.338  -4.895
   93    HE2  PHE  12          2HE       PHE  12  -2.286  -0.437  -3.660
   94    HZ   PHE  12           HZ       PHE  12  -2.138   1.558  -5.090
   95    HA   PRO  13           HA       PRO  13  -8.618   2.501   3.056
   96    HB2  PRO  13          2HB       PRO  13 -10.707   3.346   1.099
   97    HB3  PRO  13          1HB       PRO  13 -10.361   3.975   2.714
   98    HG2  PRO  13          2HG       PRO  13  -9.591   5.335   0.591
   99    HG3  PRO  13          1HG       PRO  13  -8.509   5.186   1.988
  100    HD2  PRO  13          2HD       PRO  13  -8.394   3.801  -0.656
  101    HD3  PRO  13          1HD       PRO  13  -7.078   4.403   0.372
  102    H    ASP  14           H        ASP  14  -9.199   0.915   0.098
  103    HA   ASP  14           HA       ASP  14 -11.382  -0.745   0.722
  104    HB2  ASP  14          2HB       ASP  14 -10.512  -0.472  -1.530
  105    HB3  ASP  14          1HB       ASP  14  -8.999  -1.225  -1.056
  106    H1   WMH 101          1HG       AZH   3  -2.533  -1.273   4.279
  107    H2   WMH 101          2HG       AZH   3  -2.720  -0.659   2.684
  108    H5   WMH 101           HD       PRG  11  -0.119   3.053   3.660
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -7.950  -0.773   1.533
    2    HA2  GLY   1          2HA       GLY   1  -7.513  -1.519   3.789
    3    HA3  GLY   1          1HA       GLY   1  -8.530  -2.920   3.454
    4    H    ARG   2           H        ARG   2  -6.295  -1.752   1.109
    5    HA   ARG   2           HA       ARG   2  -4.556  -4.017   1.696
    6    HB2  ARG   2          2HB       ARG   2  -4.227  -4.380  -0.716
    7    HB3  ARG   2          1HB       ARG   2  -5.895  -4.623  -0.252
    8    HG2  ARG   2          2HG       ARG   2  -6.404  -2.351  -1.127
    9    HG3  ARG   2          1HG       ARG   2  -4.738  -2.252  -1.699
   10    HD2  ARG   2          2HD       ARG   2  -6.160  -2.961  -3.521
   11    HD3  ARG   2          1HD       ARG   2  -5.119  -4.303  -3.042
   12    HE   ARG   2           HE       ARG   2  -7.683  -4.278  -1.728
   13   HH11  ARG   2          1HH1      ARG   2  -5.993  -5.457  -4.621
   14   HH12  ARG   2          2HH1      ARG   2  -7.126  -6.689  -4.896
   15   HH21  ARG   2          1HH2      ARG   2  -9.165  -5.910  -2.131
   16   HH22  ARG   2          2HH2      ARG   2  -8.962  -6.984  -3.453
   17    H    ALA   3           H        AZH   3  -2.427  -3.663   1.595
   18    HA   ALA   3           HA       AZH   3  -1.527  -0.975   0.853
   19    HB2  ALA   3          1HB       AZH   3   0.173  -1.269   2.762
   20    HB3  ALA   3          2HB       AZH   3  -0.875  -2.560   3.331
   21    H    THR   4           H        THR   4   0.631  -0.846   0.103
   22    HA   THR   4           HA       THR   4   1.463  -3.312  -1.125
   23    HB   THR   4           HB       THR   4   3.039  -1.734  -2.349
   24    HG1  THR   4          1HG       THR   4   2.188   0.469  -2.264
   25   HG21  THR   4          1HG2      THR   4   1.232  -0.903  -3.804
   26   HG22  THR   4          2HG2      THR   4   0.063  -1.267  -2.533
   27   HG23  THR   4          3HG2      THR   4   0.949  -2.574  -3.314
   28    H    LYS   5           H        LYS   5   3.527  -4.166  -0.939
   29    HA   LYS   5           HA       LYS   5   4.829  -3.633   1.579
   30    HB2  LYS   5          2HB       LYS   5   5.272  -5.779  -0.495
   31    HB3  LYS   5          1HB       LYS   5   6.201  -5.649   0.991
   32    HG2  LYS   5          2HG       LYS   5   4.152  -5.951   2.298
   33    HG3  LYS   5          1HG       LYS   5   3.223  -6.076   0.806
   34    HD2  LYS   5          2HD       LYS   5   4.440  -8.075   0.175
   35    HD3  LYS   5          1HD       LYS   5   5.482  -7.914   1.586
   36    HE2  LYS   5          2HE       LYS   5   3.773  -9.609   1.974
   37    HE3  LYS   5          1HE       LYS   5   3.539  -8.239   3.049
   38    HZ1  LYS   5          1HZ       LYS   5   1.783  -7.452   1.581
   39    HZ2  LYS   5          2HZ       LYS   5   1.461  -9.016   2.112
   40    HZ3  LYS   5          3HZ       LYS   5   2.006  -8.776   0.560
   41    H    SER   6           H        SER   6   5.092  -2.470  -1.445
   42    HA   SER   6           HA       SER   6   7.922  -2.121  -1.621
   43    HB2  SER   6          2HB       SER   6   6.389  -2.161  -3.612
   44    HB3  SER   6          1HB       SER   6   5.691  -0.641  -3.063
   45    HG   SER   6           HG       SER   6   8.389  -1.110  -3.760
   46    H    ILE   7           H        ILE   7   8.638   0.358  -1.888
   47    HA   ILE   7           HA       ILE   7   7.634   1.761   0.473
   48    HB   ILE   7           HB       ILE   7  10.453   1.720  -0.665
   49   HG12  ILE   7          2HG1      ILE   7   9.374   0.684   1.965
   50   HG13  ILE   7          1HG1      ILE   7   9.826  -0.307   0.585
   51   HG21  ILE   7          1HG2      ILE   7  11.097   3.132   1.239
   52   HG22  ILE   7          2HG2      ILE   7   9.412   3.225   1.742
   53   HG23  ILE   7          3HG2      ILE   7   9.913   3.948   0.213
   54   HD11  ILE   7          1HD1      ILE   7  11.540  -0.311   2.314
   55   HD12  ILE   7          2HD1      ILE   7  11.686   1.442   2.172
   56   HD13  ILE   7          3HD1      ILE   7  12.132   0.404   0.818
   57    HA   PRO   8           HA       PRO   8   7.244   3.572   1.278
   58    HB2  PRO   8          2HB       PRO   8   5.248   5.383   1.261
   59    HB3  PRO   8          1HB       PRO   8   6.940   5.871   1.259
   60    HG2  PRO   8          2HG       PRO   8   4.993   5.765  -0.995
   61    HG3  PRO   8          1HG       PRO   8   6.243   6.971  -0.652
   62    HD2  PRO   8          2HD       PRO   8   6.506   4.960  -2.507
   63    HD3  PRO   8          1HD       PRO   8   7.869   5.748  -1.698
   64    HA   PRO   9           HA       PRO   9   3.715   0.827   1.064
   65    HB2  PRO   9          2HB       PRO   9   2.600   1.468   3.534
   66    HB3  PRO   9          1HB       PRO   9   3.821   0.228   3.285
   67    HG2  PRO   9          2HG       PRO   9   4.099   3.002   4.283
   68    HG3  PRO   9          1HG       PRO   9   5.043   1.562   4.702
   69    HD2  PRO   9          2HD       PRO   9   5.976   3.532   3.095
   70    HD3  PRO   9          1HD       PRO   9   6.459   1.836   2.908
   71    H    ILE  10           H        ILE  10   2.203   1.502  -0.303
   72    HA   ILE  10           HA       ILE  10   0.728   3.954   0.264
   73    HB   ILE  10           HB       ILE  10   0.696   2.173  -2.207
   74   HG12  ILE  10          2HG1      ILE  10   2.877   3.279  -1.952
   75   HG13  ILE  10          1HG1      ILE  10   1.998   3.936  -3.323
   76   HG21  ILE  10          1HG2      ILE  10  -0.475   4.019  -3.307
   77   HG22  ILE  10          2HG2      ILE  10  -0.477   4.916  -1.792
   78   HG23  ILE  10          3HG2      ILE  10  -1.386   3.407  -1.925
   79   HD11  ILE  10          1HD1      ILE  10   1.376   5.888  -1.951
   80   HD12  ILE  10          2HD1      ILE  10   3.119   5.694  -2.117
   81   HD13  ILE  10          3HD1      ILE  10   2.323   5.225  -0.615
   82    H    ALA  11           H        PRG  11  -1.259   3.778   1.159
   83    HA   ALA  11           HA       PRG  11  -2.365   1.098   1.117
   84    HB1  ALA  11          1HB       PRG  11  -3.402   1.411   3.234
   85    HB2  ALA  11          2HB       PRG  11  -2.970   3.078   3.364
   86    H    PHE  12           H        PHE  12  -4.219   0.716   0.434
   87    HA   PHE  12           HA       PHE  12  -5.685   2.924  -0.782
   88    HB2  PHE  12          2HB       PHE  12  -5.748  -0.030  -1.443
   89    HB3  PHE  12          1HB       PHE  12  -6.579   1.247  -2.329
   90    HD1  PHE  12          1HD       PHE  12  -5.135   3.062  -3.408
   91    HD2  PHE  12          2HD       PHE  12  -3.562  -0.634  -2.006
   92    HE1  PHE  12          1HE       PHE  12  -3.141   3.372  -4.808
   93    HE2  PHE  12          2HE       PHE  12  -1.575  -0.324  -3.418
   94    HZ   PHE  12           HZ       PHE  12  -1.361   1.678  -4.812
   95    HA   PRO  13           HA       PRO  13  -8.965   2.864   2.219
   96    HB2  PRO  13          2HB       PRO  13 -10.551   2.905  -0.322
   97    HB3  PRO  13          1HB       PRO  13 -10.792   3.840   1.157
   98    HG2  PRO  13          2HG       PRO  13  -9.575   4.937  -0.921
   99    HG3  PRO  13          1HG       PRO  13  -9.010   5.251   0.728
  100    HD2  PRO  13          2HD       PRO  13  -7.768   3.628  -1.416
  101    HD3  PRO  13          1HD       PRO  13  -7.015   4.445  -0.034
  102    H    ASP  14           H        ASP  14  -9.183   0.663  -0.514
  103    HA   ASP  14           HA       ASP  14 -11.138  -1.146   0.220
  104    HB2  ASP  14          2HB       ASP  14 -10.003  -1.335  -1.906
  105    HB3  ASP  14          1HB       ASP  14  -8.477  -1.681  -1.108
  106    H1   WMH 101          1HG       AZH   3  -2.294  -0.976   4.338
  107    H2   WMH 101          2HG       AZH   3  -2.417  -0.266   2.783
  108    H5   WMH 101           HD       PRG  11  -0.442   3.653   4.137
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -8.140  -1.017   1.623
    2    HA2  GLY   1          2HA       GLY   1  -7.576  -2.779   3.202
    3    HA3  GLY   1          1HA       GLY   1  -8.431  -3.907   2.154
    4    H    ARG   2           H        ARG   2  -6.450  -1.449   0.785
    5    HA   ARG   2           HA       ARG   2  -4.606  -3.538  -0.177
    6    HB2  ARG   2          2HB       ARG   2  -5.094  -0.809  -1.327
    7    HB3  ARG   2          1HB       ARG   2  -4.128  -2.090  -2.028
    8    HG2  ARG   2          2HG       ARG   2  -6.114  -3.394  -2.437
    9    HG3  ARG   2          1HG       ARG   2  -7.109  -2.157  -1.653
   10    HD2  ARG   2          2HD       ARG   2  -6.210  -0.524  -3.325
   11    HD3  ARG   2          1HD       ARG   2  -5.479  -1.889  -4.165
   12    HE   ARG   2           HE       ARG   2  -7.932  -2.722  -4.093
   13   HH11  ARG   2          1HH1      ARG   2  -6.765   0.539  -4.800
   14   HH12  ARG   2          2HH1      ARG   2  -8.090   0.970  -5.778
   15   HH21  ARG   2          1HH2      ARG   2  -9.770  -2.141  -5.403
   16   HH22  ARG   2          2HH2      ARG   2  -9.860  -0.599  -6.109
   17    H    ALA   3           H        AZH   3  -2.611  -3.403   0.557
   18    HA   ALA   3           HA       AZH   3  -1.361  -0.850   0.973
   19    HB2  ALA   3          1HB       AZH   3  -0.351  -2.032   3.165
   20    HB3  ALA   3          2HB       AZH   3  -1.949  -2.766   3.186
   21    H    THR   4           H        THR   4   0.686  -0.892   0.289
   22    HA   THR   4           HA       THR   4   1.522  -3.418  -0.761
   23    HB   THR   4           HB       THR   4   3.349  -2.015  -1.844
   24    HG1  THR   4          1HG       THR   4   3.130   0.117  -1.825
   25   HG21  THR   4          1HG2      THR   4   1.820  -1.105  -3.542
   26   HG22  THR   4          2HG2      THR   4   0.464  -1.345  -2.440
   27   HG23  THR   4          3HG2      THR   4   1.351  -2.735  -3.062
   28    H    LYS   5           H        LYS   5   3.805  -4.048  -0.633
   29    HA   LYS   5           HA       LYS   5   4.781  -3.685   2.098
   30    HB2  LYS   5          2HB       LYS   5   6.043  -5.760   1.702
   31    HB3  LYS   5          1HB       LYS   5   4.313  -5.979   1.485
   32    HG2  LYS   5          2HG       LYS   5   4.666  -5.767  -0.969
   33    HG3  LYS   5          1HG       LYS   5   6.398  -5.737  -0.664
   34    HD2  LYS   5          2HD       LYS   5   4.569  -8.008   0.145
   35    HD3  LYS   5          1HD       LYS   5   5.463  -7.949  -1.367
   36    HE2  LYS   5          2HE       LYS   5   6.719  -9.333   0.112
   37    HE3  LYS   5          1HE       LYS   5   7.577  -7.803   0.023
   38    HZ1  LYS   5          1HZ       LYS   5   5.743  -8.571   2.233
   39    HZ2  LYS   5          2HZ       LYS   5   6.757  -7.225   2.213
   40    HZ3  LYS   5          3HZ       LYS   5   7.400  -8.757   2.274
   41    H    SER   6           H        SER   6   5.221  -2.370  -0.801
   42    HA   SER   6           HA       SER   6   8.080  -2.257  -0.859
   43    HB2  SER   6          2HB       SER   6   7.363  -0.702  -2.836
   44    HB3  SER   6          1HB       SER   6   7.178  -2.450  -2.986
   45    HG   SER   6           HG       SER   6   5.309  -0.632  -3.215
   46    H    ILE   7           H        ILE   7   9.069  -0.082  -1.047
   47    HA   ILE   7           HA       ILE   7   7.765   1.874   0.716
   48    HB   ILE   7           HB       ILE   7  10.744   1.494   0.189
   49   HG12  ILE   7          2HG1      ILE   7   9.171   0.752   2.668
   50   HG13  ILE   7          1HG1      ILE   7   9.753  -0.396   1.470
   51   HG21  ILE   7          1HG2      ILE   7  10.122   3.797   0.780
   52   HG22  ILE   7          2HG2      ILE   7  11.066   3.041   2.063
   53   HG23  ILE   7          3HG2      ILE   7   9.320   3.203   2.233
   54   HD11  ILE   7          1HD1      ILE   7  11.462   1.372   3.212
   55   HD12  ILE   7          2HD1      ILE   7  12.059   0.226   2.012
   56   HD13  ILE   7          3HD1      ILE   7  11.187  -0.358   3.430
   57    HA   PRO   8           HA       PRO   8   7.318   3.854   0.896
   58    HB2  PRO   8          2HB       PRO   8   5.634   5.718  -0.045
   59    HB3  PRO   8          1HB       PRO   8   7.336   6.080   0.263
   60    HG2  PRO   8          2HG       PRO   8   5.951   5.502  -2.315
   61    HG3  PRO   8          1HG       PRO   8   7.199   6.710  -1.955
   62    HD2  PRO   8          2HD       PRO   8   7.692   4.280  -3.148
   63    HD3  PRO   8          1HD       PRO   8   8.898   5.201  -2.230
   64    HA   PRO   9           HA       PRO   9   3.883   1.209   0.014
   65    HB2  PRO   9          2HB       PRO   9   2.674   1.241   2.409
   66    HB3  PRO   9          1HB       PRO   9   4.221   0.427   2.141
   67    HG2  PRO   9          2HG       PRO   9   3.676   3.088   3.385
   68    HG3  PRO   9          1HG       PRO   9   4.838   1.843   3.873
   69    HD2  PRO   9          2HD       PRO   9   5.491   4.081   2.419
   70    HD3  PRO   9          1HD       PRO   9   6.412   2.564   2.392
   71    H    ILE  10           H        ILE  10   1.929   1.455  -0.802
   72    HA   ILE  10           HA       ILE  10   0.526   3.950  -0.270
   73    HB   ILE  10           HB       ILE  10  -0.693   3.540  -2.406
   74   HG12  ILE  10          2HG1      ILE  10   1.340   1.323  -2.813
   75   HG13  ILE  10          1HG1      ILE  10  -0.381   1.097  -2.549
   76   HG21  ILE  10          1HG2      ILE  10   1.183   5.066  -2.383
   77   HG22  ILE  10          2HG2      ILE  10   1.150   4.185  -3.910
   78   HG23  ILE  10          3HG2      ILE  10   2.306   3.733  -2.656
   79   HD11  ILE  10          1HD1      ILE  10   0.892   2.441  -4.919
   80   HD12  ILE  10          2HD1      ILE  10  -0.839   2.239  -4.674
   81   HD13  ILE  10          3HD1      ILE  10   0.192   0.821  -4.892
   82    H    ALA  11           H        PRG  11  -1.533   3.847   0.517
   83    HA   ALA  11           HA       PRG  11  -2.596   1.168   0.839
   84    HB1  ALA  11          1HB       PRG  11  -3.305   1.584   3.107
   85    HB2  ALA  11          2HB       PRG  11  -2.616   3.175   3.142
   86    H    PHE  12           H        PHE  12  -4.703   1.002   0.908
   87    HA   PHE  12           HA       PHE  12  -6.308   3.352   0.218
   88    HB2  PHE  12          2HB       PHE  12  -6.442   0.634  -1.136
   89    HB3  PHE  12          1HB       PHE  12  -7.510   1.985  -1.443
   90    HD1  PHE  12          1HD       PHE  12  -4.032   0.774  -1.846
   91    HD2  PHE  12          2HD       PHE  12  -6.912   3.718  -2.915
   92    HE1  PHE  12          1HE       PHE  12  -2.558   1.561  -3.612
   93    HE2  PHE  12          2HE       PHE  12  -5.417   4.516  -4.693
   94    HZ   PHE  12           HZ       PHE  12  -3.237   3.436  -5.037
   95    HA   PRO  13           HA       PRO  13  -8.645   1.606   3.603
   96    HB2  PRO  13          2HB       PRO  13 -11.069   2.838   2.982
   97    HB3  PRO  13          1HB       PRO  13  -9.789   3.533   3.975
   98    HG2  PRO  13          2HG       PRO  13 -10.451   4.028   1.123
   99    HG3  PRO  13          1HG       PRO  13  -9.800   5.136   2.333
  100    HD2  PRO  13          2HD       PRO  13  -8.291   4.043   0.368
  101    HD3  PRO  13          1HD       PRO  13  -7.632   4.471   1.961
  102    H    ASP  14           H        ASP  14  -9.095   0.889   0.418
  103    HA   ASP  14           HA       ASP  14 -11.359  -0.855   0.453
  104    HB2  ASP  14          2HB       ASP  14  -8.890  -0.930  -1.311
  105    HB3  ASP  14          1HB       ASP  14 -10.402  -1.773  -1.613
  106    H1   WMH 101          1HG       AZH   3  -2.390  -0.786   4.464
  107    H2   WMH 101          2HG       AZH   3  -2.720  -0.312   2.840
  108    H5   WMH 101           HD       PRG  11   0.095   3.366   3.251
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -8.280  -0.947   1.592
    2    HA2  GLY   1          2HA       GLY   1  -7.340  -2.713   2.873
    3    HA3  GLY   1          1HA       GLY   1  -8.491  -3.817   2.133
    4    H    ARG   2           H        ARG   2  -5.806  -1.703   1.298
    5    HA   ARG   2           HA       ARG   2  -4.539  -3.776  -0.233
    6    HB2  ARG   2          2HB       ARG   2  -6.108  -2.896  -1.881
    7    HB3  ARG   2          1HB       ARG   2  -5.607  -1.262  -1.525
    8    HG2  ARG   2          2HG       ARG   2  -3.366  -1.799  -2.430
    9    HG3  ARG   2          1HG       ARG   2  -3.988  -3.391  -2.893
   10    HD2  ARG   2          2HD       ARG   2  -5.692  -2.365  -4.271
   11    HD3  ARG   2          1HD       ARG   2  -5.182  -0.769  -3.734
   12    HE   ARG   2           HE       ARG   2  -3.037  -2.135  -4.920
   13   HH11  ARG   2          1HH1      ARG   2  -6.043  -0.429  -5.707
   14   HH12  ARG   2          2HH1      ARG   2  -5.587   0.015  -7.275
   15   HH21  ARG   2          1HH2      ARG   2  -2.358  -1.491  -7.104
   16   HH22  ARG   2          2HH2      ARG   2  -3.442  -0.636  -8.106
   17    H    ALA   3           H        AZH   3  -2.512  -3.579   0.427
   18    HA   ALA   3           HA       AZH   3  -1.317  -0.941   0.792
   19    HB2  ALA   3          1HB       AZH   3  -0.131  -2.242   2.800
   20    HB3  ALA   3          2HB       AZH   3  -1.663  -3.098   2.814
   21    H    THR   4           H        THR   4   0.826  -0.826   0.175
   22    HA   THR   4           HA       THR   4   1.910  -3.237  -0.947
   23    HB   THR   4           HB       THR   4   3.619  -1.594  -1.882
   24    HG1  THR   4          1HG       THR   4   3.257   0.510  -1.712
   25   HG21  THR   4          1HG2      THR   4   2.110  -0.746  -3.640
   26   HG22  THR   4          2HG2      THR   4   0.721  -1.178  -2.641
   27   HG23  THR   4          3HG2      THR   4   1.788  -2.438  -3.259
   28    H    LYS   5           H        LYS   5   3.812  -4.039  -0.244
   29    HA   LYS   5           HA       LYS   5   4.635  -3.315   2.447
   30    HB2  LYS   5          2HB       LYS   5   4.214  -5.674   1.830
   31    HB3  LYS   5          1HB       LYS   5   5.467  -5.577   0.610
   32    HG2  LYS   5          2HG       LYS   5   7.154  -5.296   2.335
   33    HG3  LYS   5          1HG       LYS   5   5.901  -5.310   3.582
   34    HD2  LYS   5          2HD       LYS   5   5.265  -7.581   2.908
   35    HD3  LYS   5          1HD       LYS   5   6.521  -7.557   1.672
   36    HE2  LYS   5          2HE       LYS   5   7.026  -7.247   4.624
   37    HE3  LYS   5          1HE       LYS   5   7.157  -8.773   3.755
   38    HZ1  LYS   5          1HZ       LYS   5   8.931  -7.842   2.440
   39    HZ2  LYS   5          2HZ       LYS   5   9.302  -7.657   4.062
   40    HZ3  LYS   5          3HZ       LYS   5   8.772  -6.338   3.176
   41    H    SER   6           H        SER   6   5.446  -2.686  -0.724
   42    HA   SER   6           HA       SER   6   8.301  -2.298  -0.272
   43    HB2  SER   6          2HB       SER   6   6.647  -1.798  -2.753
   44    HB3  SER   6          1HB       SER   6   8.406  -1.909  -2.654
   45    HG   SER   6           HG       SER   6   7.496  -4.085  -1.564
   46    H    ILE   7           H        ILE   7   9.257  -0.254  -0.295
   47    HA   ILE   7           HA       ILE   7   7.579   1.959   0.423
   48    HB   ILE   7           HB       ILE   7  10.587   1.858  -0.094
   49   HG12  ILE   7          2HG1      ILE   7   9.097   1.743   2.537
   50   HG13  ILE   7          1HG1      ILE   7   9.845   0.365   1.742
   51   HG21  ILE   7          1HG2      ILE   7   9.668   4.138  -0.234
   52   HG22  ILE   7          2HG2      ILE   7  10.724   3.943   1.162
   53   HG23  ILE   7          3HG2      ILE   7   8.976   3.952   1.382
   54   HD11  ILE   7          1HD1      ILE   7  12.040   1.419   2.002
   55   HD12  ILE   7          2HD1      ILE   7  11.230   1.209   3.555
   56   HD13  ILE   7          3HD1      ILE   7  11.277   2.798   2.793
   57    HA   PRO   8           HA       PRO   8   7.166   4.017   0.222
   58    HB2  PRO   8          2HB       PRO   8   5.274   5.546  -0.909
   59    HB3  PRO   8          1HB       PRO   8   6.981   5.999  -0.939
   60    HG2  PRO   8          2HG       PRO   8   5.299   4.793  -3.090
   61    HG3  PRO   8          1HG       PRO   8   6.562   6.027  -3.219
   62    HD2  PRO   8          2HD       PRO   8   6.911   3.340  -3.792
   63    HD3  PRO   8          1HD       PRO   8   8.218   4.463  -3.383
   64    HA   PRO   9           HA       PRO   9   3.759   1.147   0.542
   65    HB2  PRO   9          2HB       PRO   9   3.090   1.625   3.116
   66    HB3  PRO   9          1HB       PRO   9   4.528   0.694   2.677
   67    HG2  PRO   9          2HG       PRO   9   4.299   3.545   3.523
   68    HG3  PRO   9          1HG       PRO   9   5.519   2.339   3.964
   69    HD2  PRO   9          2HD       PRO   9   5.908   4.271   2.057
   70    HD3  PRO   9          1HD       PRO   9   6.743   2.706   2.069
   71    H    ILE  10           H        ILE  10   1.978   1.670  -0.448
   72    HA   ILE  10           HA       ILE  10   0.529   4.057   0.401
   73    HB   ILE  10           HB       ILE  10  -0.628   3.920  -1.830
   74   HG12  ILE  10          2HG1      ILE  10   1.577   1.936  -2.475
   75   HG13  ILE  10          1HG1      ILE  10  -0.128   1.543  -2.314
   76   HG21  ILE  10          1HG2      ILE  10   2.358   4.329  -1.874
   77   HG22  ILE  10          2HG2      ILE  10   1.136   5.532  -1.461
   78   HG23  ILE  10          3HG2      ILE  10   1.234   4.900  -3.106
   79   HD11  ILE  10          1HD1      ILE  10  -0.625   2.936  -4.256
   80   HD12  ILE  10          2HD1      ILE  10   0.552   1.678  -4.641
   81   HD13  ILE  10          3HD1      ILE  10   1.085   3.341  -4.394
   82    H    ALA  11           H        PRG  11  -1.445   3.794   1.239
   83    HA   ALA  11           HA       PRG  11  -2.508   1.104   1.053
   84    HB1  ALA  11          1HB       PRG  11  -3.274   1.165   3.343
   85    HB2  ALA  11          2HB       PRG  11  -2.646   2.769   3.596
   86    H    PHE  12           H        PHE  12  -4.448   0.844   0.660
   87    HA   PHE  12           HA       PHE  12  -6.084   3.202   0.041
   88    HB2  PHE  12          2HB       PHE  12  -6.273   0.407  -1.087
   89    HB3  PHE  12          1HB       PHE  12  -7.252   1.767  -1.564
   90    HD1  PHE  12          1HD       PHE  12  -6.601   3.145  -3.313
   91    HD2  PHE  12          2HD       PHE  12  -3.727   0.559  -1.555
   92    HE1  PHE  12          1HE       PHE  12  -5.024   3.661  -5.133
   93    HE2  PHE  12          2HE       PHE  12  -2.144   1.073  -3.362
   94    HZ   PHE  12           HZ       PHE  12  -2.794   2.623  -5.161
   95    HA   PRO  13           HA       PRO  13  -8.635   2.052   3.487
   96    HB2  PRO  13          2HB       PRO  13 -11.011   3.093   2.547
   97    HB3  PRO  13          1HB       PRO  13  -9.748   4.013   3.370
   98    HG2  PRO  13          2HG       PRO  13 -10.279   3.720   0.442
   99    HG3  PRO  13          1HG       PRO  13  -9.835   5.172   1.358
  100    HD2  PRO  13          2HD       PRO  13  -8.033   3.874  -0.100
  101    HD3  PRO  13          1HD       PRO  13  -7.589   4.550   1.482
  102    H    ASP  14           H        ASP  14  -9.296   0.854   0.313
  103    HA   ASP  14           HA       ASP  14 -11.513  -0.760   1.231
  104    HB2  ASP  14          2HB       ASP  14 -11.666  -1.610  -1.043
  105    HB3  ASP  14          1HB       ASP  14 -11.535   0.139  -1.076
  106    H1   WMH 101          1HG       AZH   3  -2.304  -1.322   4.241
  107    H2   WMH 101          2HG       AZH   3  -2.553  -0.624   2.687
  108    H5   WMH 101           HD       PRG  11   0.059   3.030   3.803
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -8.279  -1.049   1.641
    2    HA2  GLY   1          2HA       GLY   1  -7.584  -2.861   2.926
    3    HA3  GLY   1          1HA       GLY   1  -8.599  -3.920   1.945
    4    H    ARG   2           H        ARG   2  -6.184  -1.582   0.952
    5    HA   ARG   2           HA       ARG   2  -4.585  -3.773  -0.189
    6    HB2  ARG   2          2HB       ARG   2  -6.050  -2.615  -1.896
    7    HB3  ARG   2          1HB       ARG   2  -5.161  -1.147  -1.544
    8    HG2  ARG   2          2HG       ARG   2  -3.083  -2.283  -2.262
    9    HG3  ARG   2          1HG       ARG   2  -4.067  -3.664  -2.757
   10    HD2  ARG   2          2HD       ARG   2  -4.183  -0.846  -3.820
   11    HD3  ARG   2          1HD       ARG   2  -3.698  -2.301  -4.691
   12    HE   ARG   2           HE       ARG   2  -6.097  -3.030  -4.202
   13   HH11  ARG   2          1HH1      ARG   2  -5.097   0.287  -4.985
   14   HH12  ARG   2          2HH1      ARG   2  -6.628   0.778  -5.542
   15   HH21  ARG   2          1HH2      ARG   2  -8.219  -2.356  -5.015
   16   HH22  ARG   2          2HH2      ARG   2  -8.440  -0.764  -5.562
   17    H    ALA   3           H        AZH   3  -2.555  -3.593   0.502
   18    HA   ALA   3           HA       AZH   3  -1.455  -0.970   1.094
   19    HB2  ALA   3          1HB       AZH   3  -0.316  -2.360   3.081
   20    HB3  ALA   3          2HB       AZH   3  -1.850  -3.216   2.995
   21    H    THR   4           H        THR   4   0.669  -0.729   0.565
   22    HA   THR   4           HA       THR   4   1.844  -2.995  -0.749
   23    HB   THR   4           HB       THR   4   3.473  -1.265  -1.567
   24    HG1  THR   4          1HG       THR   4   3.319   0.752  -0.927
   25   HG21  THR   4          1HG2      THR   4   1.918  -0.187  -3.134
   26   HG22  THR   4          2HG2      THR   4   0.563  -0.654  -2.109
   27   HG23  THR   4          3HG2      THR   4   1.520  -1.893  -2.920
   28    H    LYS   5           H        LYS   5   3.687  -3.887  -0.022
   29    HA   LYS   5           HA       LYS   5   4.713  -2.848   2.497
   30    HB2  LYS   5          2HB       LYS   5   5.670  -5.129   2.902
   31    HB3  LYS   5          1HB       LYS   5   3.932  -5.098   2.833
   32    HG2  LYS   5          2HG       LYS   5   4.457  -7.032   1.671
   33    HG3  LYS   5          1HG       LYS   5   4.222  -5.866   0.375
   34    HD2  LYS   5          2HD       LYS   5   6.177  -7.218  -0.085
   35    HD3  LYS   5          1HD       LYS   5   6.684  -5.564   0.271
   36    HE2  LYS   5          2HE       LYS   5   7.270  -6.226   2.558
   37    HE3  LYS   5          1HE       LYS   5   6.696  -7.860   2.235
   38    HZ1  LYS   5          1HZ       LYS   5   9.133  -7.576   2.109
   39    HZ2  LYS   5          2HZ       LYS   5   8.924  -6.581   0.751
   40    HZ3  LYS   5          3HZ       LYS   5   8.457  -8.191   0.704
   41    H    SER   6           H        SER   6   5.233  -2.541  -0.534
   42    HA   SER   6           HA       SER   6   8.150  -2.466  -0.369
   43    HB2  SER   6          2HB       SER   6   6.302  -2.217  -2.762
   44    HB3  SER   6          1HB       SER   6   8.062  -2.248  -2.829
   45    HG   SER   6           HG       SER   6   7.809  -4.349  -1.674
   46    H    ILE   7           H        ILE   7   8.908  -0.384  -1.841
   47    HA   ILE   7           HA       ILE   7   7.860   1.845  -0.312
   48    HB   ILE   7           HB       ILE   7  10.278   1.649  -2.146
   49   HG12  ILE   7          2HG1      ILE   7  10.130   1.640   0.879
   50   HG13  ILE   7          1HG1      ILE   7  10.394   0.220  -0.121
   51   HG21  ILE   7          1HG2      ILE   7  11.006   3.761  -1.131
   52   HG22  ILE   7          2HG2      ILE   7   9.511   3.834  -0.200
   53   HG23  ILE   7          3HG2      ILE   7   9.460   3.955  -1.959
   54   HD11  ILE   7          1HD1      ILE   7  12.218   2.605   0.082
   55   HD12  ILE   7          2HD1      ILE   7  12.499   1.172  -0.908
   56   HD13  ILE   7          3HD1      ILE   7  12.467   1.038   0.851
   57    HA   PRO   8           HA       PRO   8   7.202   3.719  -0.193
   58    HB2  PRO   8          2HB       PRO   8   4.867   5.257  -0.829
   59    HB3  PRO   8          1HB       PRO   8   6.518   5.844  -0.647
   60    HG2  PRO   8          2HG       PRO   8   5.130   5.851  -3.027
   61    HG3  PRO   8          1HG       PRO   8   6.896   5.839  -2.904
   62    HD2  PRO   8          2HD       PRO   8   5.017   3.549  -3.375
   63    HD3  PRO   8          1HD       PRO   8   6.571   3.915  -4.161
   64    HA   PRO   9           HA       PRO   9   3.799   1.252   1.334
   65    HB2  PRO   9          2HB       PRO   9   3.551   2.201   3.859
   66    HB3  PRO   9          1HB       PRO   9   4.916   1.198   3.363
   67    HG2  PRO   9          2HG       PRO   9   4.787   4.141   3.783
   68    HG3  PRO   9          1HG       PRO   9   6.122   3.021   4.093
   69    HD2  PRO   9          2HD       PRO   9   5.897   4.690   1.873
   70    HD3  PRO   9          1HD       PRO   9   6.939   3.260   1.976
   71    H    ILE  10           H        ILE  10   2.109   1.932   0.083
   72    HA   ILE  10           HA       ILE  10   0.611   4.279   1.003
   73    HB   ILE  10           HB       ILE  10   0.599   2.984  -1.749
   74   HG12  ILE  10          2HG1      ILE  10   1.823   5.616  -0.874
   75   HG13  ILE  10          1HG1      ILE  10   2.729   4.151  -1.221
   76   HG21  ILE  10          1HG2      ILE  10  -1.539   4.038  -1.171
   77   HG22  ILE  10          2HG2      ILE  10  -0.710   4.956  -2.428
   78   HG23  ILE  10          3HG2      ILE  10  -0.698   5.535  -0.762
   79   HD11  ILE  10          1HD1      ILE  10   1.987   4.243  -3.535
   80   HD12  ILE  10          2HD1      ILE  10   2.814   5.732  -3.069
   81   HD13  ILE  10          3HD1      ILE  10   1.054   5.695  -3.185
   82    H    ALA  11           H        PRG  11  -1.265   3.787   1.951
   83    HA   ALA  11           HA       PRG  11  -2.323   1.163   1.329
   84    HB1  ALA  11          1HB       PRG  11  -3.364   1.077   3.516
   85    HB2  ALA  11          2HB       PRG  11  -2.729   2.632   3.964
   86    H    PHE  12           H        PHE  12  -4.249   0.901   0.775
   87    HA   PHE  12           HA       PHE  12  -5.822   3.287   0.094
   88    HB2  PHE  12          2HB       PHE  12  -5.939   0.524  -1.147
   89    HB3  PHE  12          1HB       PHE  12  -6.785   1.947  -1.695
   90    HD1  PHE  12          1HD       PHE  12  -5.836   3.364  -3.293
   91    HD2  PHE  12          2HD       PHE  12  -3.358   0.516  -1.328
   92    HE1  PHE  12          1HE       PHE  12  -4.004   3.861  -4.867
   93    HE2  PHE  12          2HE       PHE  12  -1.532   1.015  -2.893
   94    HZ   PHE  12           HZ       PHE  12  -1.856   2.691  -4.666
   95    HA   PRO  13           HA       PRO  13  -8.685   1.685   3.232
   96    HB2  PRO  13          2HB       PRO  13 -10.674   3.223   1.653
   97    HB3  PRO  13          1HB       PRO  13 -10.295   3.317   3.375
   98    HG2  PRO  13          2HG       PRO  13  -9.480   5.223   1.727
   99    HG3  PRO  13          1HG       PRO  13  -8.417   4.644   3.023
  100    HD2  PRO  13          2HD       PRO  13  -8.355   4.029   0.094
  101    HD3  PRO  13          1HD       PRO  13  -7.022   4.364   1.217
  102    H    ASP  14           H        ASP  14  -8.625   0.769   0.113
  103    HA   ASP  14           HA       ASP  14 -11.082  -0.767   0.029
  104    HB2  ASP  14          2HB       ASP  14  -8.714  -0.587  -1.831
  105    HB3  ASP  14          1HB       ASP  14 -10.041  -1.713  -2.080
  106    H1   WMH 101          1HG       AZH   3  -2.579  -1.495   4.442
  107    H2   WMH 101          2HG       AZH   3  -2.701  -0.713   2.912
  108    H5   WMH 101           HD       PRG  11   0.004   2.787   4.349
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -8.073  -1.104   1.217
    2    HA2  GLY   1          2HA       GLY   1  -7.441  -2.976   2.576
    3    HA3  GLY   1          1HA       GLY   1  -8.388  -4.014   1.505
    4    H    ARG   2           H        ARG   2  -6.045  -1.474   0.810
    5    HA   ARG   2           HA       ARG   2  -4.368  -3.477  -0.501
    6    HB2  ARG   2          2HB       ARG   2  -5.817  -2.526  -2.238
    7    HB3  ARG   2          1HB       ARG   2  -5.334  -0.910  -1.781
    8    HG2  ARG   2          2HG       ARG   2  -4.223  -1.536  -3.823
    9    HG3  ARG   2          1HG       ARG   2  -3.032  -1.406  -2.537
   10    HD2  ARG   2          2HD       ARG   2  -4.265  -4.035  -3.313
   11    HD3  ARG   2          1HD       ARG   2  -2.861  -3.400  -4.157
   12    HE   ARG   2           HE       ARG   2  -1.792  -3.386  -1.866
   13   HH11  ARG   2          1HH1      ARG   2  -4.311  -5.757  -2.711
   14   HH12  ARG   2          2HH1      ARG   2  -3.661  -6.970  -1.713
   15   HH21  ARG   2          1HH2      ARG   2  -0.936  -5.080  -0.508
   16   HH22  ARG   2          2HH2      ARG   2  -1.747  -6.586  -0.440
   17    H    ALA   3           H        AZH   3  -2.660  -3.332   0.737
   18    HA   ALA   3           HA       AZH   3  -1.366  -0.726   1.036
   19    HB2  ALA   3          1HB       AZH   3  -0.215  -2.117   3.017
   20    HB3  ALA   3          2HB       AZH   3  -1.771  -2.931   2.992
   21    H    THR   4           H        THR   4   0.729  -0.594   0.436
   22    HA   THR   4           HA       THR   4   1.845  -3.012  -0.670
   23    HB   THR   4           HB       THR   4   3.501  -1.440  -1.708
   24    HG1  THR   4          1HG       THR   4   3.348   0.674  -1.403
   25   HG21  THR   4          1HG2      THR   4   1.953  -0.521  -3.396
   26   HG22  THR   4          2HG2      THR   4   0.601  -0.835  -2.312
   27   HG23  THR   4          3HG2      THR   4   1.528  -2.179  -2.972
   28    H    LYS   5           H        LYS   5   3.644  -3.863   0.158
   29    HA   LYS   5           HA       LYS   5   4.541  -2.800   2.734
   30    HB2  LYS   5          2HB       LYS   5   5.063  -5.477   1.429
   31    HB3  LYS   5          1HB       LYS   5   5.556  -5.023   3.056
   32    HG2  LYS   5          2HG       LYS   5   3.196  -4.774   3.687
   33    HG3  LYS   5          1HG       LYS   5   2.721  -5.262   2.065
   34    HD2  LYS   5          2HD       LYS   5   4.271  -6.945   4.031
   35    HD3  LYS   5          1HD       LYS   5   2.554  -7.112   3.671
   36    HE2  LYS   5          2HE       LYS   5   3.158  -7.590   1.300
   37    HE3  LYS   5          1HE       LYS   5   4.855  -7.535   1.771
   38    HZ1  LYS   5          1HZ       LYS   5   4.446  -9.406   3.275
   39    HZ2  LYS   5          2HZ       LYS   5   4.074  -9.789   1.689
   40    HZ3  LYS   5          3HZ       LYS   5   2.835  -9.476   2.763
   41    H    SER   6           H        SER   6   5.252  -2.630  -0.391
   42    HA   SER   6           HA       SER   6   8.142  -2.483  -0.052
   43    HB2  SER   6          2HB       SER   6   6.475  -2.409  -2.577
   44    HB3  SER   6          1HB       SER   6   8.223  -2.634  -2.450
   45    HG   SER   6           HG       SER   6   7.652  -4.552  -1.142
   46    H    ILE   7           H        ILE   7   9.149  -0.538  -1.005
   47    HA   ILE   7           HA       ILE   7   7.779   1.802  -0.111
   48    HB   ILE   7           HB       ILE   7  10.515   1.434  -1.364
   49   HG12  ILE   7          2HG1      ILE   7   9.696   1.844   1.519
   50   HG13  ILE   7          1HG1      ILE   7  10.185   0.312   0.810
   51   HG21  ILE   7          1HG2      ILE   7  11.050   3.675  -0.539
   52   HG22  ILE   7          2HG2      ILE   7   9.391   3.868   0.022
   53   HG23  ILE   7          3HG2      ILE   7   9.725   3.729  -1.706
   54   HD11  ILE   7          1HD1      ILE   7  11.983   1.304   2.086
   55   HD12  ILE   7          2HD1      ILE   7  11.900   2.766   1.105
   56   HD13  ILE   7          3HD1      ILE   7  12.403   1.240   0.374
   57    HA   PRO   8           HA       PRO   8   7.254   3.729  -0.261
   58    HB2  PRO   8          2HB       PRO   8   5.069   5.220  -1.375
   59    HB3  PRO   8          1HB       PRO   8   6.686   5.804  -0.983
   60    HG2  PRO   8          2HG       PRO   8   5.698   5.621  -3.544
   61    HG3  PRO   8          1HG       PRO   8   7.420   5.590  -3.139
   62    HD2  PRO   8          2HD       PRO   8   5.569   3.306  -3.710
   63    HD3  PRO   8          1HD       PRO   8   7.236   3.562  -4.272
   64    HA   PRO   9           HA       PRO   9   3.810   1.134   0.901
   65    HB2  PRO   9          2HB       PRO   9   3.551   1.955   3.492
   66    HB3  PRO   9          1HB       PRO   9   4.806   0.835   2.955
   67    HG2  PRO   9          2HG       PRO   9   4.992   3.752   3.535
   68    HG3  PRO   9          1HG       PRO   9   6.173   2.471   3.845
   69    HD2  PRO   9          2HD       PRO   9   6.324   4.232   1.746
   70    HD3  PRO   9          1HD       PRO   9   7.052   2.614   1.738
   71    H    ILE  10           H        ILE  10   2.089   1.813  -0.166
   72    HA   ILE  10           HA       ILE  10   0.687   4.198   0.792
   73    HB   ILE  10           HB       ILE  10  -0.425   4.283  -1.432
   74   HG12  ILE  10          2HG1      ILE  10   1.503   2.054  -2.176
   75   HG13  ILE  10          1HG1      ILE  10  -0.237   1.885  -2.019
   76   HG21  ILE  10          1HG2      ILE  10   2.590   4.298  -1.548
   77   HG22  ILE  10          2HG2      ILE  10   1.558   5.635  -1.046
   78   HG23  ILE  10          3HG2      ILE  10   1.523   5.072  -2.717
   79   HD11  ILE  10          1HD1      ILE  10   1.207   3.562  -4.060
   80   HD12  ILE  10          2HD1      ILE  10  -0.542   3.420  -3.909
   81   HD13  ILE  10          3HD1      ILE  10   0.422   2.009  -4.349
   82    H    ALA  11           H        PRG  11  -1.499   4.002   1.317
   83    HA   ALA  11           HA       PRG  11  -2.483   1.274   1.224
   84    HB1  ALA  11          1HB       PRG  11  -3.287   1.314   3.488
   85    HB2  ALA  11          2HB       PRG  11  -2.678   2.914   3.784
   86    H    PHE  12           H        PHE  12  -4.456   0.976   0.911
   87    HA   PHE  12           HA       PHE  12  -6.216   3.300   0.509
   88    HB2  PHE  12          2HB       PHE  12  -6.153   0.688  -1.012
   89    HB3  PHE  12          1HB       PHE  12  -7.294   1.991  -1.276
   90    HD1  PHE  12          1HD       PHE  12  -3.761   0.990  -1.617
   91    HD2  PHE  12          2HD       PHE  12  -6.731   3.873  -2.569
   92    HE1  PHE  12          1HE       PHE  12  -2.250   1.994  -3.271
   93    HE2  PHE  12          2HE       PHE  12  -5.236   4.878  -4.217
   94    HZ   PHE  12           HZ       PHE  12  -2.982   3.945  -4.573
   95    HA   PRO  13           HA       PRO  13  -8.722   1.298   3.680
   96    HB2  PRO  13          2HB       PRO  13 -10.889   2.764   2.252
   97    HB3  PRO  13          1HB       PRO  13 -10.493   2.729   3.975
   98    HG2  PRO  13          2HG       PRO  13  -9.858   4.850   2.529
   99    HG3  PRO  13          1HG       PRO  13  -8.738   4.215   3.746
  100    HD2  PRO  13          2HD       PRO  13  -8.634   3.943   0.766
  101    HD3  PRO  13          1HD       PRO  13  -7.324   4.204   1.936
  102    H    ASP  14           H        ASP  14  -9.149   1.019   0.316
  103    HA   ASP  14           HA       ASP  14 -11.285  -0.820   0.065
  104    HB2  ASP  14          2HB       ASP  14  -8.767  -0.628  -1.620
  105    HB3  ASP  14          1HB       ASP  14 -10.237  -1.471  -2.073
  106    H1   WMH 101          1HG       AZH   3  -2.324  -1.176   4.494
  107    H2   WMH 101          2HG       AZH   3  -2.632  -0.475   2.950
  108    H5   WMH 101           HD       PRG  11   0.035   3.195   3.955
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -8.039  -1.097   1.373
    2    HA2  GLY   1          2HA       GLY   1  -7.569  -2.749   3.166
    3    HA3  GLY   1          1HA       GLY   1  -8.636  -3.839   2.285
    4    H    ARG   2           H        ARG   2  -6.210  -1.653   0.955
    5    HA   ARG   2           HA       ARG   2  -4.614  -3.962   0.128
    6    HB2  ARG   2          2HB       ARG   2  -5.444  -1.645  -1.653
    7    HB3  ARG   2          1HB       ARG   2  -4.254  -2.856  -2.089
    8    HG2  ARG   2          2HG       ARG   2  -7.154  -3.455  -1.503
    9    HG3  ARG   2          1HG       ARG   2  -6.499  -3.166  -3.114
   10    HD2  ARG   2          2HD       ARG   2  -5.604  -5.364  -1.253
   11    HD3  ARG   2          1HD       ARG   2  -6.754  -5.566  -2.571
   12    HE   ARG   2           HE       ARG   2  -4.372  -4.412  -3.539
   13   HH11  ARG   2          1HH1      ARG   2  -5.633  -7.541  -2.446
   14   HH12  ARG   2          2HH1      ARG   2  -4.526  -8.459  -3.356
   15   HH21  ARG   2          1HH2      ARG   2  -2.855  -5.713  -4.833
   16   HH22  ARG   2          2HH2      ARG   2  -2.945  -7.414  -4.710
   17    H    ALA   3           H        AZH   3  -2.503  -3.636   0.517
   18    HA   ALA   3           HA       AZH   3  -1.413  -0.942   0.797
   19    HB2  ALA   3          1HB       AZH   3  -0.131  -2.076   2.852
   20    HB3  ALA   3          2HB       AZH   3  -1.638  -2.967   2.970
   21    H    THR   4           H        THR   4   0.596  -0.750  -0.043
   22    HA   THR   4           HA       THR   4   1.748  -3.109  -1.169
   23    HB   THR   4           HB       THR   4   3.475  -1.526  -2.057
   24    HG1  THR   4          1HG       THR   4   3.730   0.239  -1.035
   25   HG21  THR   4          1HG2      THR   4   0.630  -0.616  -2.492
   26   HG22  THR   4          2HG2      THR   4   1.448  -1.913  -3.365
   27   HG23  THR   4          3HG2      THR   4   1.996  -0.246  -3.541
   28    H    LYS   5           H        LYS   5   3.608  -4.063  -0.490
   29    HA   LYS   5           HA       LYS   5   4.485  -3.370   2.192
   30    HB2  LYS   5          2HB       LYS   5   5.208  -5.729   0.446
   31    HB3  LYS   5          1HB       LYS   5   5.695  -5.519   2.123
   32    HG2  LYS   5          2HG       LYS   5   3.317  -5.551   2.783
   33    HG3  LYS   5          1HG       LYS   5   2.883  -5.856   1.104
   34    HD2  LYS   5          2HD       LYS   5   4.168  -7.936   1.150
   35    HD3  LYS   5          1HD       LYS   5   4.615  -7.629   2.828
   36    HE2  LYS   5          2HE       LYS   5   2.210  -7.616   3.407
   37    HE3  LYS   5          1HE       LYS   5   1.839  -8.067   1.746
   38    HZ1  LYS   5          1HZ       LYS   5   3.127 -10.098   2.062
   39    HZ2  LYS   5          2HZ       LYS   5   1.872  -9.990   3.179
   40    HZ3  LYS   5          3HZ       LYS   5   3.447  -9.659   3.663
   41    H    SER   6           H        SER   6   5.192  -2.606  -0.853
   42    HA   SER   6           HA       SER   6   8.057  -2.273  -0.495
   43    HB2  SER   6          2HB       SER   6   6.274  -1.644  -2.847
   44    HB3  SER   6          1HB       SER   6   8.041  -1.671  -2.848
   45    HG   SER   6           HG       SER   6   7.960  -3.869  -2.412
   46    H    ILE   7           H        ILE   7   8.854  -0.381   0.103
   47    HA   ILE   7           HA       ILE   7   7.161   1.890   0.627
   48    HB   ILE   7           HB       ILE   7  10.131   1.374   1.029
   49   HG12  ILE   7          2HG1      ILE   7   7.853   1.497   3.016
   50   HG13  ILE   7          1HG1      ILE   7   8.607   0.022   2.426
   51   HG21  ILE   7          1HG2      ILE   7   8.554   3.758   2.018
   52   HG22  ILE   7          2HG2      ILE   7   9.753   3.777   0.729
   53   HG23  ILE   7          3HG2      ILE   7  10.235   3.379   2.377
   54   HD11  ILE   7          1HD1      ILE   7   9.928   2.176   4.060
   55   HD12  ILE   7          2HD1      ILE   7  10.702   0.697   3.487
   56   HD13  ILE   7          3HD1      ILE   7   9.379   0.606   4.650
   57    HA   PRO   8           HA       PRO   8   7.166   4.320   0.568
   58    HB2  PRO   8          2HB       PRO   8   5.524   5.418  -1.617
   59    HB3  PRO   8          1HB       PRO   8   6.445   6.267  -0.372
   60    HG2  PRO   8          2HG       PRO   8   7.258   6.260  -2.914
   61    HG3  PRO   8          1HG       PRO   8   8.419   6.173  -1.577
   62    HD2  PRO   8          2HD       PRO   8   7.347   3.960  -3.292
   63    HD3  PRO   8          1HD       PRO   8   9.026   4.291  -2.818
   64    HA   PRO   9           HA       PRO   9   3.838   1.323   0.443
   65    HB2  PRO   9          2HB       PRO   9   2.969   2.199   3.039
   66    HB3  PRO   9          1HB       PRO   9   3.828   0.719   2.624
   67    HG2  PRO   9          2HG       PRO   9   4.901   2.782   4.089
   68    HG3  PRO   9          1HG       PRO   9   5.844   1.591   3.177
   69    HD2  PRO   9          2HD       PRO   9   5.126   4.397   2.472
   70    HD3  PRO   9          1HD       PRO   9   6.617   3.474   2.166
   71    H    ILE  10           H        ILE  10   2.092   1.687  -0.620
   72    HA   ILE  10           HA       ILE  10   0.536   4.112  -0.124
   73    HB   ILE  10           HB       ILE  10   0.590   2.284  -2.555
   74   HG12  ILE  10          2HG1      ILE  10   1.655   5.101  -2.216
   75   HG13  ILE  10          1HG1      ILE  10   2.642   3.649  -2.279
   76   HG21  ILE  10          1HG2      ILE  10  -1.613   3.287  -2.219
   77   HG22  ILE  10          2HG2      ILE  10  -0.820   3.993  -3.626
   78   HG23  ILE  10          3HG2      ILE  10  -0.882   4.888  -2.109
   79   HD11  ILE  10          1HD1      ILE  10   0.919   4.725  -4.501
   80   HD12  ILE  10          2HD1      ILE  10   1.907   3.265  -4.580
   81   HD13  ILE  10          3HD1      ILE  10   2.675   4.841  -4.392
   82    H    ALA  11           H        PRG  11  -1.328   3.784   0.947
   83    HA   ALA  11           HA       PRG  11  -2.386   1.080   0.838
   84    HB1  ALA  11          1HB       PRG  11  -3.240   1.296   3.078
   85    HB2  ALA  11          2HB       PRG  11  -2.628   2.912   3.258
   86    H    PHE  12           H        PHE  12  -4.390   0.781   0.569
   87    HA   PHE  12           HA       PHE  12  -6.040   3.095  -0.156
   88    HB2  PHE  12          2HB       PHE  12  -6.229   0.235  -1.137
   89    HB3  PHE  12          1HB       PHE  12  -7.165   1.601  -1.717
   90    HD1  PHE  12          1HD       PHE  12  -3.975  -0.149  -1.884
   91    HD2  PHE  12          2HD       PHE  12  -6.111   3.305  -3.145
   92    HE1  PHE  12          1HE       PHE  12  -2.293   0.255  -3.621
   93    HE2  PHE  12          2HE       PHE  12  -4.435   3.710  -4.881
   94    HZ   PHE  12           HZ       PHE  12  -2.519   2.186  -5.124
   95    HA   PRO  13           HA       PRO  13  -8.311   1.906   3.585
   96    HB2  PRO  13          2HB       PRO  13 -10.483   3.278   2.060
   97    HB3  PRO  13          1HB       PRO  13  -9.984   3.492   3.745
   98    HG2  PRO  13          2HG       PRO  13  -9.262   5.295   1.977
   99    HG3  PRO  13          1HG       PRO  13  -8.078   4.711   3.158
  100    HD2  PRO  13          2HD       PRO  13  -8.367   3.996   0.264
  101    HD3  PRO  13          1HD       PRO  13  -6.898   4.309   1.213
  102    H    ASP  14           H        ASP  14  -9.130   1.024   0.415
  103    HA   ASP  14           HA       ASP  14 -11.404  -0.592   0.644
  104    HB2  ASP  14          2HB       ASP  14  -8.955  -1.024  -1.075
  105    HB3  ASP  14          1HB       ASP  14 -10.555  -1.688  -1.363
  106    H1   WMH 101          1HG       AZH   3  -2.287  -1.121   4.286
  107    H2   WMH 101          2HG       AZH   3  -2.584  -0.521   2.698
  108    H5   WMH 101           HD       PRG  11   0.066   3.211   3.485
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -8.248  -0.999   1.321
    2    HA2  GLY   1          2HA       GLY   1  -7.997  -2.689   3.046
    3    HA3  GLY   1          1HA       GLY   1  -8.894  -3.797   2.013
    4    H    ARG   2           H        ARG   2  -6.343  -1.607   1.018
    5    HA   ARG   2           HA       ARG   2  -4.626  -3.915   0.429
    6    HB2  ARG   2          2HB       ARG   2  -5.331  -1.601  -1.363
    7    HB3  ARG   2          1HB       ARG   2  -3.912  -2.597  -1.618
    8    HG2  ARG   2          2HG       ARG   2  -5.252  -4.518  -2.040
    9    HG3  ARG   2          1HG       ARG   2  -6.714  -3.671  -1.530
   10    HD2  ARG   2          2HD       ARG   2  -6.430  -3.853  -4.004
   11    HD3  ARG   2          1HD       ARG   2  -6.607  -2.204  -3.410
   12    HE   ARG   2           HE       ARG   2  -3.870  -2.985  -3.644
   13   HH11  ARG   2          1HH1      ARG   2  -6.630  -1.829  -5.506
   14   HH12  ARG   2          2HH1      ARG   2  -5.685  -1.051  -6.691
   15   HH21  ARG   2          1HH2      ARG   2  -2.578  -1.937  -5.257
   16   HH22  ARG   2          2HH2      ARG   2  -3.315  -1.153  -6.573
   17    H    ALA   3           H        AZH   3  -2.497  -3.598   0.802
   18    HA   ALA   3           HA       AZH   3  -1.443  -0.970   1.302
   19    HB2  ALA   3          1HB       AZH   3  -0.336  -2.178   3.441
   20    HB3  ALA   3          2HB       AZH   3  -1.887  -3.013   3.402
   21    H    THR   4           H        THR   4   0.598  -0.806   0.672
   22    HA   THR   4           HA       THR   4   1.708  -3.169  -0.558
   23    HB   THR   4           HB       THR   4   3.283  -1.392  -1.557
   24    HG1  THR   4          1HG       THR   4   1.248   0.418  -1.095
   25   HG21  THR   4          1HG2      THR   4   1.619  -0.757  -3.246
   26   HG22  THR   4          2HG2      THR   4   0.325  -1.261  -2.161
   27   HG23  THR   4          3HG2      THR   4   1.444  -2.460  -2.814
   28    H    LYS   5           H        LYS   5   3.707  -3.935  -0.144
   29    HA   LYS   5           HA       LYS   5   5.045  -2.917   2.243
   30    HB2  LYS   5          2HB       LYS   5   5.165  -5.643   0.920
   31    HB3  LYS   5          1HB       LYS   5   6.194  -5.171   2.264
   32    HG2  LYS   5          2HG       LYS   5   4.241  -4.828   3.674
   33    HG3  LYS   5          1HG       LYS   5   3.182  -5.238   2.332
   34    HD2  LYS   5          2HD       LYS   5   4.060  -7.507   2.302
   35    HD3  LYS   5          1HD       LYS   5   5.215  -7.097   3.574
   36    HE2  LYS   5          2HE       LYS   5   3.402  -6.650   5.120
   37    HE3  LYS   5          1HE       LYS   5   2.215  -6.944   3.853
   38    HZ1  LYS   5          1HZ       LYS   5   4.112  -8.985   4.886
   39    HZ2  LYS   5          2HZ       LYS   5   2.814  -9.257   3.820
   40    HZ3  LYS   5          3HZ       LYS   5   2.531  -8.793   5.406
   41    H    SER   6           H        SER   6   5.061  -2.338  -0.760
   42    HA   SER   6           HA       SER   6   7.880  -2.414  -1.393
   43    HB2  SER   6          2HB       SER   6   5.529  -1.138  -2.820
   44    HB3  SER   6          1HB       SER   6   7.132  -1.408  -3.505
   45    HG   SER   6           HG       SER   6   6.808  -3.595  -3.356
   46    H    ILE   7           H        ILE   7   8.748  -0.148  -2.168
   47    HA   ILE   7           HA       ILE   7   8.030   1.775  -0.081
   48    HB   ILE   7           HB       ILE   7  10.520   1.715  -1.812
   49   HG12  ILE   7          2HG1      ILE   7  10.487  -0.218  -0.287
   50   HG13  ILE   7          1HG1      ILE   7  11.736   0.929   0.178
   51   HG21  ILE   7          1HG2      ILE   7   9.973   3.947  -1.044
   52   HG22  ILE   7          2HG2      ILE   7  11.406   3.347  -0.203
   53   HG23  ILE   7          3HG2      ILE   7   9.849   3.367   0.618
   54   HD11  ILE   7          1HD1      ILE   7   9.051   0.587   1.473
   55   HD12  ILE   7          2HD1      ILE   7  10.272   1.767   1.945
   56   HD13  ILE   7          3HD1      ILE   7  10.600   0.041   2.119
   57    HA   PRO   8           HA       PRO   8   7.444   3.567   0.369
   58    HB2  PRO   8          2HB       PRO   8   5.603   5.462   0.343
   59    HB3  PRO   8          1HB       PRO   8   7.257   5.820  -0.172
   60    HG2  PRO   8          2HG       PRO   8   4.816   5.355  -1.824
   61    HG3  PRO   8          1HG       PRO   8   6.121   6.528  -2.063
   62    HD2  PRO   8          2HD       PRO   8   5.904   4.061  -3.352
   63    HD3  PRO   8          1HD       PRO   8   7.382   5.029  -3.227
   64    HA   PRO   9           HA       PRO   9   3.822   1.077   1.090
   65    HB2  PRO   9          2HB       PRO   9   3.275   1.737   3.677
   66    HB3  PRO   9          1HB       PRO   9   4.592   0.656   3.218
   67    HG2  PRO   9          2HG       PRO   9   4.679   3.534   3.973
   68    HG3  PRO   9          1HG       PRO   9   5.835   2.243   4.345
   69    HD2  PRO   9          2HD       PRO   9   6.210   4.118   2.384
   70    HD3  PRO   9          1HD       PRO   9   6.934   2.499   2.351
   71    H    ILE  10           H        ILE  10   2.281   1.855  -0.136
   72    HA   ILE  10           HA       ILE  10   0.696   4.169   0.737
   73    HB   ILE  10           HB       ILE  10   0.690   2.723  -1.943
   74   HG12  ILE  10          2HG1      ILE  10   1.862   5.420  -1.231
   75   HG13  ILE  10          1HG1      ILE  10   2.802   3.958  -1.502
   76   HG21  ILE  10          1HG2      ILE  10  -0.651   4.637  -2.726
   77   HG22  ILE  10          2HG2      ILE  10  -0.658   5.294  -1.090
   78   HG23  ILE  10          3HG2      ILE  10  -1.459   3.762  -1.425
   79   HD11  ILE  10          1HD1      ILE  10   2.009   3.907  -3.823
   80   HD12  ILE  10          2HD1      ILE  10   2.844   5.412  -3.445
   81   HD13  ILE  10          3HD1      ILE  10   1.082   5.375  -3.529
   82    H    ALA  11           H        PRG  11  -1.316   3.773   1.494
   83    HA   ALA  11           HA       PRG  11  -2.290   1.043   1.197
   84    HB1  ALA  11          1HB       PRG  11  -3.409   1.250   3.336
   85    HB2  ALA  11          2HB       PRG  11  -2.817   2.865   3.581
   86    H    PHE  12           H        PHE  12  -4.406   0.753   0.878
   87    HA   PHE  12           HA       PHE  12  -5.870   3.096  -0.113
   88    HB2  PHE  12          2HB       PHE  12  -5.952   0.269  -1.220
   89    HB3  PHE  12          1HB       PHE  12  -6.857   1.641  -1.830
   90    HD1  PHE  12          1HD       PHE  12  -5.702   3.465  -3.031
   91    HD2  PHE  12          2HD       PHE  12  -3.642  -0.060  -1.805
   92    HE1  PHE  12          1HE       PHE  12  -3.856   4.002  -4.560
   93    HE2  PHE  12          2HE       PHE  12  -1.802   0.478  -3.326
   94    HZ   PHE  12           HZ       PHE  12  -1.901   2.514  -4.709
   95    HA   PRO  13           HA       PRO  13  -8.727   1.926   3.101
   96    HB2  PRO  13          2HB       PRO  13 -10.982   3.119   2.041
   97    HB3  PRO  13          1HB       PRO  13  -9.738   3.975   2.957
   98    HG2  PRO  13          2HG       PRO  13 -10.098   3.759  -0.004
   99    HG3  PRO  13          1HG       PRO  13  -9.655   5.174   0.968
  100    HD2  PRO  13          2HD       PRO  13  -7.829   3.810  -0.419
  101    HD3  PRO  13          1HD       PRO  13  -7.447   4.487   1.179
  102    H    ASP  14           H        ASP  14  -8.994   0.976  -0.125
  103    HA   ASP  14           HA       ASP  14 -11.325  -0.620  -0.118
  104    HB2  ASP  14          2HB       ASP  14  -8.781  -1.012  -1.706
  105    HB3  ASP  14          1HB       ASP  14 -10.336  -1.738  -2.060
  106    H1   WMH 101          1HG       AZH   3  -2.575  -1.148   4.711
  107    H2   WMH 101          2HG       AZH   3  -2.743  -0.567   3.104
  108    H5   WMH 101           HD       PRG  11  -0.107   3.137   4.024
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -8.154  -0.788   1.677
    2    HA2  GLY   1          2HA       GLY   1  -7.644  -2.162   3.529
    3    HA3  GLY   1          1HA       GLY   1  -8.661  -3.425   2.843
    4    H    ARG   2           H        ARG   2  -6.312  -1.571   1.094
    5    HA   ARG   2           HA       ARG   2  -4.732  -4.010   0.692
    6    HB2  ARG   2          2HB       ARG   2  -5.353  -1.858  -1.346
    7    HB3  ARG   2          1HB       ARG   2  -4.326  -3.261  -1.594
    8    HG2  ARG   2          2HG       ARG   2  -6.208  -4.743  -1.387
    9    HG3  ARG   2          1HG       ARG   2  -7.268  -3.391  -0.980
   10    HD2  ARG   2          2HD       ARG   2  -7.550  -4.027  -3.313
   11    HD3  ARG   2          1HD       ARG   2  -6.860  -2.413  -3.191
   12    HE   ARG   2           HE       ARG   2  -4.712  -4.085  -3.404
   13   HH11  ARG   2          1HH1      ARG   2  -7.520  -3.338  -5.425
   14   HH12  ARG   2          2HH1      ARG   2  -6.754  -3.770  -6.878
   15   HH21  ARG   2          1HH2      ARG   2  -3.686  -4.724  -5.391
   16   HH22  ARG   2          2HH2      ARG   2  -4.524  -4.603  -6.862
   17    H    ALA   3           H        AZH   3  -2.582  -3.735   0.979
   18    HA   ALA   3           HA       AZH   3  -1.475  -1.054   1.116
   19    HB2  ALA   3          1HB       AZH   3  -0.201  -2.139   3.205
   20    HB3  ALA   3          2HB       AZH   3  -1.724  -3.008   3.342
   21    H    THR   4           H        THR   4   0.552  -0.905   0.291
   22    HA   THR   4           HA       THR   4   1.559  -3.309  -0.912
   23    HB   THR   4           HB       THR   4   3.128  -1.776  -2.079
   24    HG1  THR   4          1HG       THR   4   3.387   0.179  -1.447
   25   HG21  THR   4          1HG2      THR   4   0.916  -2.216  -3.053
   26   HG22  THR   4          2HG2      THR   4   1.448  -0.572  -3.411
   27   HG23  THR   4          3HG2      THR   4   0.250  -0.858  -2.148
   28    H    LYS   5           H        LYS   5   3.683  -4.053  -0.617
   29    HA   LYS   5           HA       LYS   5   4.826  -3.386   1.977
   30    HB2  LYS   5          2HB       LYS   5   5.433  -5.664   0.084
   31    HB3  LYS   5          1HB       LYS   5   6.211  -5.401   1.639
   32    HG2  LYS   5          2HG       LYS   5   4.037  -5.673   2.758
   33    HG3  LYS   5          1HG       LYS   5   3.288  -5.970   1.192
   34    HD2  LYS   5          2HD       LYS   5   3.716  -8.072   2.326
   35    HD3  LYS   5          1HD       LYS   5   4.734  -7.942   0.892
   36    HE2  LYS   5          2HE       LYS   5   6.002  -8.847   2.767
   37    HE3  LYS   5          1HE       LYS   5   6.630  -7.272   2.317
   38    HZ1  LYS   5          1HZ       LYS   5   6.449  -7.507   4.710
   39    HZ2  LYS   5          2HZ       LYS   5   4.807  -7.822   4.600
   40    HZ3  LYS   5          3HZ       LYS   5   5.406  -6.305   4.178
   41    H    SER   6           H        SER   6   5.089  -2.491  -1.133
   42    HA   SER   6           HA       SER   6   7.928  -2.176  -1.378
   43    HB2  SER   6          2HB       SER   6   5.679  -0.872  -2.913
   44    HB3  SER   6          1HB       SER   6   7.353  -1.056  -3.440
   45    HG   SER   6           HG       SER   6   7.054  -3.256  -3.442
   46    H    ILE   7           H        ILE   7   8.956  -0.060  -1.403
   47    HA   ILE   7           HA       ILE   7   7.695   1.848   0.411
   48    HB   ILE   7           HB       ILE   7  10.563   1.648  -0.585
   49   HG12  ILE   7          2HG1      ILE   7   9.977  -0.123   1.006
   50   HG13  ILE   7          1HG1      ILE   7  11.141   0.993   1.709
   51   HG21  ILE   7          1HG2      ILE   7  11.144   3.394   1.023
   52   HG22  ILE   7          2HG2      ILE   7   9.447   3.559   1.464
   53   HG23  ILE   7          3HG2      ILE   7   9.977   3.978  -0.165
   54   HD11  ILE   7          1HD1      ILE   7   9.297   2.067   2.950
   55   HD12  ILE   7          2HD1      ILE   7   9.487   0.362   3.341
   56   HD13  ILE   7          3HD1      ILE   7   8.181   0.874   2.275
   57    HA   PRO   8           HA       PRO   8   7.276   3.764   0.830
   58    HB2  PRO   8          2HB       PRO   8   5.433   5.680   0.458
   59    HB3  PRO   8          1HB       PRO   8   7.163   6.033   0.384
   60    HG2  PRO   8          2HG       PRO   8   5.197   5.683  -1.831
   61    HG3  PRO   8          1HG       PRO   8   6.552   6.816  -1.707
   62    HD2  PRO   8          2HD       PRO   8   6.582   4.427  -3.122
   63    HD3  PRO   8          1HD       PRO   8   8.020   5.307  -2.578
   64    HA   PRO   9           HA       PRO   9   3.768   1.012   0.634
   65    HB2  PRO   9          2HB       PRO   9   3.074   1.818   3.357
   66    HB3  PRO   9          1HB       PRO   9   3.600   0.246   2.763
   67    HG2  PRO   9          2HG       PRO   9   5.123   1.850   4.311
   68    HG3  PRO   9          1HG       PRO   9   5.805   0.696   3.149
   69    HD2  PRO   9          2HD       PRO   9   5.524   3.654   2.959
   70    HD3  PRO   9          1HD       PRO   9   6.788   2.586   2.314
   71    H    ILE  10           H        ILE  10   2.036   1.553  -0.406
   72    HA   ILE  10           HA       ILE  10   0.622   4.010   0.296
   73    HB   ILE  10           HB       ILE  10   0.287   2.296  -2.193
   74   HG12  ILE  10          2HG1      ILE  10   1.869   4.855  -1.868
   75   HG13  ILE  10          1HG1      ILE  10   2.575   3.256  -2.044
   76   HG21  ILE  10          1HG2      ILE  10  -0.595   5.119  -1.540
   77   HG22  ILE  10          2HG2      ILE  10  -1.644   3.705  -1.628
   78   HG23  ILE  10          3HG2      ILE  10  -0.845   4.301  -3.082
   79   HD11  ILE  10          1HD1      ILE  10   2.648   4.495  -4.127
   80   HD12  ILE  10          2HD1      ILE  10   0.894   4.683  -4.091
   81   HD13  ILE  10          3HD1      ILE  10   1.607   3.080  -4.278
   82    H    ALA  11           H        PRG  11  -1.292   3.779   1.282
   83    HA   ALA  11           HA       PRG  11  -2.363   1.096   1.224
   84    HB1  ALA  11          1HB       PRG  11  -3.236   1.357   3.478
   85    HB2  ALA  11          2HB       PRG  11  -2.534   2.949   3.624
   86    H    PHE  12           H        PHE  12  -4.155   0.786   0.576
   87    HA   PHE  12           HA       PHE  12  -5.728   3.043  -0.419
   88    HB2  PHE  12          2HB       PHE  12  -5.880   0.122  -1.199
   89    HB3  PHE  12          1HB       PHE  12  -6.638   1.472  -2.026
   90    HD1  PHE  12          1HD       PHE  12  -3.634  -0.498  -1.648
   91    HD2  PHE  12          2HD       PHE  12  -5.198   3.121  -3.244
   92    HE1  PHE  12          1HE       PHE  12  -1.655  -0.277  -3.069
   93    HE2  PHE  12          2HE       PHE  12  -3.217   3.349  -4.672
   94    HZ   PHE  12           HZ       PHE  12  -1.433   1.646  -4.585
   95    HA   PRO  13           HA       PRO  13  -8.807   2.475   2.812
   96    HB2  PRO  13          2HB       PRO  13 -10.587   3.118   0.502
   97    HB3  PRO  13          1HB       PRO  13 -10.602   3.779   2.139
   98    HG2  PRO  13          2HG       PRO  13  -9.549   5.201   0.189
   99    HG3  PRO  13          1HG       PRO  13  -8.732   5.112   1.756
  100    HD2  PRO  13          2HD       PRO  13  -8.038   3.778  -0.818
  101    HD3  PRO  13          1HD       PRO  13  -6.979   4.425   0.452
  102    H    ASP  14           H        ASP  14  -8.996   0.889  -0.268
  103    HA   ASP  14           HA       ASP  14 -11.144  -0.887   0.064
  104    HB2  ASP  14          2HB       ASP  14  -8.567  -1.336  -1.455
  105    HB3  ASP  14          1HB       ASP  14 -10.057  -2.239  -1.671
  106    H1   WMH 101          1HG       AZH   3  -2.426  -1.096   4.546
  107    H2   WMH 101          2HG       AZH   3  -2.579  -0.519   2.933
  108    H5   WMH 101           HD       PRG  11   0.225   3.080   3.812
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -8.089  -1.010   1.296
    2    HA2  GLY   1          2HA       GLY   1  -7.487  -2.679   2.913
    3    HA3  GLY   1          1HA       GLY   1  -8.464  -3.837   2.010
    4    H    ARG   2           H        ARG   2  -6.163  -1.483   0.761
    5    HA   ARG   2           HA       ARG   2  -4.506  -3.732  -0.098
    6    HB2  ARG   2          2HB       ARG   2  -5.844  -2.783  -2.007
    7    HB3  ARG   2          1HB       ARG   2  -5.024  -1.249  -1.753
    8    HG2  ARG   2          2HG       ARG   2  -2.858  -2.365  -2.200
    9    HG3  ARG   2          1HG       ARG   2  -3.728  -3.858  -2.516
   10    HD2  ARG   2          2HD       ARG   2  -3.200  -2.777  -4.613
   11    HD3  ARG   2          1HD       ARG   2  -4.940  -2.755  -4.349
   12    HE   ARG   2           HE       ARG   2  -3.411  -0.421  -3.552
   13   HH11  ARG   2          1HH1      ARG   2  -5.509  -1.920  -5.962
   14   HH12  ARG   2          2HH1      ARG   2  -6.048  -0.457  -6.658
   15   HH21  ARG   2          1HH2      ARG   2  -4.077   1.633  -4.593
   16   HH22  ARG   2          2HH2      ARG   2  -5.175   1.584  -5.894
   17    H    ALA   3           H        AZH   3  -2.538  -3.564   0.570
   18    HA   ALA   3           HA       AZH   3  -1.298  -0.982   1.038
   19    HB2  ALA   3          1HB       AZH   3  -0.314  -2.297   3.154
   20    HB3  ALA   3          2HB       AZH   3  -1.893  -3.067   3.071
   21    H    THR   4           H        THR   4   0.753  -0.935   0.359
   22    HA   THR   4           HA       THR   4   1.867  -3.439  -0.526
   23    HB   THR   4           HB       THR   4   3.432  -1.782  -1.733
   24    HG1  THR   4          1HG       THR   4   2.417   0.231  -2.129
   25   HG21  THR   4          1HG2      THR   4   1.762  -3.165  -2.875
   26   HG22  THR   4          2HG2      THR   4   1.830  -1.557  -3.592
   27   HG23  THR   4          3HG2      THR   4   0.511  -1.981  -2.497
   28    H    LYS   5           H        LYS   5   3.786  -4.114   0.197
   29    HA   LYS   5           HA       LYS   5   4.891  -2.833   2.559
   30    HB2  LYS   5          2HB       LYS   5   5.742  -5.373   1.152
   31    HB3  LYS   5          1HB       LYS   5   6.235  -4.863   2.759
   32    HG2  LYS   5          2HG       LYS   5   3.899  -5.061   3.509
   33    HG3  LYS   5          1HG       LYS   5   3.454  -5.619   1.899
   34    HD2  LYS   5          2HD       LYS   5   5.015  -7.524   2.180
   35    HD3  LYS   5          1HD       LYS   5   5.333  -6.972   3.825
   36    HE2  LYS   5          2HE       LYS   5   2.662  -7.816   2.717
   37    HE3  LYS   5          1HE       LYS   5   3.669  -8.758   3.813
   38    HZ1  LYS   5          1HZ       LYS   5   3.395  -6.990   5.474
   39    HZ2  LYS   5          2HZ       LYS   5   1.919  -7.644   5.018
   40    HZ3  LYS   5          3HZ       LYS   5   2.391  -6.144   4.419
   41    H    SER   6           H        SER   6   5.254  -2.862  -0.729
   42    HA   SER   6           HA       SER   6   8.077  -2.415  -0.908
   43    HB2  SER   6          2HB       SER   6   5.932  -1.901  -2.964
   44    HB3  SER   6          1HB       SER   6   7.651  -2.226  -3.231
   45    HG   SER   6           HG       SER   6   6.921  -4.220  -1.867
   46    H    ILE   7           H        ILE   7   8.978  -0.506  -0.659
   47    HA   ILE   7           HA       ILE   7   7.557   1.786   0.201
   48    HB   ILE   7           HB       ILE   7  10.447   1.537  -0.715
   49   HG12  ILE   7          2HG1      ILE   7   9.258   1.427   2.069
   50   HG13  ILE   7          1HG1      ILE   7   9.865   0.049   1.165
   51   HG21  ILE   7          1HG2      ILE   7   9.700   3.877  -0.727
   52   HG22  ILE   7          2HG2      ILE   7  10.878   3.582   0.552
   53   HG23  ILE   7          3HG2      ILE   7   9.166   3.714   0.950
   54   HD11  ILE   7          1HD1      ILE   7  11.492   2.394   2.125
   55   HD12  ILE   7          2HD1      ILE   7  12.113   1.016   1.219
   56   HD13  ILE   7          3HD1      ILE   7  11.460   0.783   2.842
   57    HA   PRO   8           HA       PRO   8   7.143   3.813   0.210
   58    HB2  PRO   8          2HB       PRO   8   5.053   5.367  -1.001
   59    HB3  PRO   8          1HB       PRO   8   6.591   5.937  -0.359
   60    HG2  PRO   8          2HG       PRO   8   5.926   5.996  -3.024
   61    HG3  PRO   8          1HG       PRO   8   7.588   5.949  -2.416
   62    HD2  PRO   8          2HD       PRO   8   5.884   3.712  -3.448
   63    HD3  PRO   8          1HD       PRO   8   7.602   4.052  -3.754
   64    HA   PRO   9           HA       PRO   9   3.673   1.043   0.762
   65    HB2  PRO   9          2HB       PRO   9   3.226   1.541   3.407
   66    HB3  PRO   9          1HB       PRO   9   4.535   0.503   2.834
   67    HG2  PRO   9          2HG       PRO   9   4.625   3.339   3.745
   68    HG3  PRO   9          1HG       PRO   9   5.792   2.036   4.020
   69    HD2  PRO   9          2HD       PRO   9   6.107   3.992   2.151
   70    HD3  PRO   9          1HD       PRO   9   6.827   2.374   2.012
   71    H    ILE  10           H        ILE  10   2.110   1.954  -0.396
   72    HA   ILE  10           HA       ILE  10   0.669   4.183   0.780
   73    HB   ILE  10           HB       ILE  10  -0.375   4.480  -1.487
   74   HG12  ILE  10          2HG1      ILE  10   1.764   2.507  -2.363
   75   HG13  ILE  10          1HG1      ILE  10   0.036   2.192  -2.369
   76   HG21  ILE  10          1HG2      ILE  10   1.441   5.900  -0.773
   77   HG22  ILE  10          2HG2      ILE  10   1.626   5.536  -2.491
   78   HG23  ILE  10          3HG2      ILE  10   2.623   4.704  -1.303
   79   HD11  ILE  10          1HD1      ILE  10   1.488   4.237  -4.039
   80   HD12  ILE  10          2HD1      ILE  10  -0.255   3.984  -4.035
   81   HD13  ILE  10          3HD1      ILE  10   0.817   2.706  -4.605
   82    H    ALA  11           H        PRG  11  -1.277   3.891   1.569
   83    HA   ALA  11           HA       PRG  11  -2.397   1.240   1.127
   84    HB1  ALA  11          1HB       PRG  11  -3.311   1.258   3.353
   85    HB2  ALA  11          2HB       PRG  11  -2.666   2.842   3.695
   86    H    PHE  12           H        PHE  12  -4.426   0.984   0.796
   87    HA   PHE  12           HA       PHE  12  -6.022   3.379   0.289
   88    HB2  PHE  12          2HB       PHE  12  -5.835   0.835  -1.347
   89    HB3  PHE  12          1HB       PHE  12  -7.089   2.046  -1.581
   90    HD1  PHE  12          1HD       PHE  12  -3.403   1.567  -1.644
   91    HD2  PHE  12          2HD       PHE  12  -6.703   3.894  -2.961
   92    HE1  PHE  12          1HE       PHE  12  -1.919   2.804  -3.165
   93    HE2  PHE  12          2HE       PHE  12  -5.229   5.141  -4.475
   94    HZ   PHE  12           HZ       PHE  12  -2.830   4.599  -4.581
   95    HA   PRO  13           HA       PRO  13  -8.781   1.845   3.417
   96    HB2  PRO  13          2HB       PRO  13 -10.866   2.983   1.616
   97    HB3  PRO  13          1HB       PRO  13 -10.615   3.240   3.347
   98    HG2  PRO  13          2HG       PRO  13  -9.895   5.103   1.612
   99    HG3  PRO  13          1HG       PRO  13  -8.868   4.728   3.005
  100    HD2  PRO  13          2HD       PRO  13  -8.515   3.992   0.138
  101    HD3  PRO  13          1HD       PRO  13  -7.303   4.434   1.364
  102    H    ASP  14           H        ASP  14  -9.179   0.992   0.097
  103    HA   ASP  14           HA       ASP  14 -11.327  -0.835   0.201
  104    HB2  ASP  14          2HB       ASP  14  -8.870  -0.913  -1.563
  105    HB3  ASP  14          1HB       ASP  14 -10.359  -1.801  -1.845
  106    H1   WMH 101          1HG       AZH   3  -2.485  -1.222   4.434
  107    H2   WMH 101          2HG       AZH   3  -2.664  -0.583   2.840
  108    H5   WMH 101           HD       PRG  11   0.074   3.022   3.931
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -7.866  -1.053   1.278
    2    HA2  GLY   1          2HA       GLY   1  -7.558  -2.556   3.144
    3    HA3  GLY   1          1HA       GLY   1  -8.527  -3.747   2.270
    4    H    ARG   2           H        ARG   2  -5.921  -1.648   1.229
    5    HA   ARG   2           HA       ARG   2  -4.299  -3.953   0.630
    6    HB2  ARG   2          2HB       ARG   2  -5.623  -3.644  -1.394
    7    HB3  ARG   2          1HB       ARG   2  -5.173  -1.951  -1.452
    8    HG2  ARG   2          2HG       ARG   2  -2.867  -2.533  -1.862
    9    HG3  ARG   2          1HG       ARG   2  -3.241  -4.248  -1.703
   10    HD2  ARG   2          2HD       ARG   2  -4.369  -2.373  -3.778
   11    HD3  ARG   2          1HD       ARG   2  -3.088  -3.552  -4.056
   12    HE   ARG   2           HE       ARG   2  -5.057  -5.089  -3.115
   13   HH11  ARG   2          1HH1      ARG   2  -5.087  -2.638  -5.655
   14   HH12  ARG   2          2HH1      ARG   2  -6.307  -3.384  -6.578
   15   HH21  ARG   2          1HH2      ARG   2  -6.691  -6.121  -4.356
   16   HH22  ARG   2          2HH2      ARG   2  -7.275  -5.452  -5.811
   17    H    ALA   3           H        AZH   3  -2.663  -3.402   1.801
   18    HA   ALA   3           HA       AZH   3  -1.465  -0.766   1.421
   19    HB2  ALA   3          1HB       AZH   3  -0.145  -1.708   3.542
   20    HB3  ALA   3          2HB       AZH   3  -1.623  -2.644   3.729
   21    H    THR   4           H        THR   4   0.492  -0.667   0.502
   22    HA   THR   4           HA       THR   4   1.417  -3.143  -0.575
   23    HB   THR   4           HB       THR   4   2.981  -1.624  -1.850
   24    HG1  THR   4          1HG       THR   4   2.700   0.515  -1.714
   25   HG21  THR   4          1HG2      THR   4   1.215  -0.749  -3.317
   26   HG22  THR   4          2HG2      THR   4   0.021  -1.042  -2.051
   27   HG23  THR   4          3HG2      THR   4   0.856  -2.399  -2.804
   28    H    LYS   5           H        LYS   5   3.343  -4.077  -0.162
   29    HA   LYS   5           HA       LYS   5   4.803  -3.092   2.147
   30    HB2  LYS   5          2HB       LYS   5   5.155  -5.612   0.505
   31    HB3  LYS   5          1HB       LYS   5   6.119  -5.209   1.919
   32    HG2  LYS   5          2HG       LYS   5   4.076  -5.230   3.289
   33    HG3  LYS   5          1HG       LYS   5   3.147  -5.696   1.863
   34    HD2  LYS   5          2HD       LYS   5   4.474  -7.736   1.668
   35    HD3  LYS   5          1HD       LYS   5   5.415  -7.270   3.082
   36    HE2  LYS   5          2HE       LYS   5   3.716  -8.896   3.707
   37    HE3  LYS   5          1HE       LYS   5   3.369  -7.338   4.451
   38    HZ1  LYS   5          1HZ       LYS   5   2.070  -8.413   2.005
   39    HZ2  LYS   5          2HZ       LYS   5   1.710  -6.934   2.725
   40    HZ3  LYS   5          3HZ       LYS   5   1.372  -8.367   3.533
   41    H    SER   6           H        SER   6   4.754  -2.743  -1.100
   42    HA   SER   6           HA       SER   6   7.502  -2.373  -1.657
   43    HB2  SER   6          2HB       SER   6   5.047  -1.272  -3.039
   44    HB3  SER   6          1HB       SER   6   6.674  -1.386  -3.725
   45    HG   SER   6           HG       SER   6   6.475  -3.673  -3.202
   46    H    ILE   7           H        ILE   7   8.604  -0.430  -1.728
   47    HA   ILE   7           HA       ILE   7   7.616   1.579   0.109
   48    HB   ILE   7           HB       ILE   7  10.351   1.137  -1.145
   49   HG12  ILE   7          2HG1      ILE   7   9.366   0.601   1.668
   50   HG13  ILE   7          1HG1      ILE   7   9.633  -0.623   0.436
   51   HG21  ILE   7          1HG2      ILE   7   9.998   3.497  -0.596
   52   HG22  ILE   7          2HG2      ILE   7  11.197   2.762   0.468
   53   HG23  ILE   7          3HG2      ILE   7   9.560   3.050   1.054
   54   HD11  ILE   7          1HD1      ILE   7  11.736   1.148   1.659
   55   HD12  ILE   7          2HD1      ILE   7  12.012  -0.084   0.427
   56   HD13  ILE   7          3HD1      ILE   7  11.457  -0.552   2.034
   57    HA   PRO   8           HA       PRO   8   7.475   3.589   0.594
   58    HB2  PRO   8          2HB       PRO   8   5.499   5.582  -0.125
   59    HB3  PRO   8          1HB       PRO   8   7.094   5.847   0.577
   60    HG2  PRO   8          2HG       PRO   8   6.436   6.607  -1.958
   61    HG3  PRO   8          1HG       PRO   8   8.085   6.169  -1.475
   62    HD2  PRO   8          2HD       PRO   8   6.010   4.508  -2.865
   63    HD3  PRO   8          1HD       PRO   8   7.737   4.682  -3.245
   64    HA   PRO   9           HA       PRO   9   3.806   1.082   0.990
   65    HB2  PRO   9          2HB       PRO   9   3.100   1.779   3.569
   66    HB3  PRO   9          1HB       PRO   9   4.329   0.575   3.166
   67    HG2  PRO   9          2HG       PRO   9   4.666   3.442   3.937
   68    HG3  PRO   9          1HG       PRO   9   5.631   2.032   4.407
   69    HD2  PRO   9          2HD       PRO   9   6.473   3.758   2.528
   70    HD3  PRO   9          1HD       PRO   9   6.816   2.019   2.418
   71    H    ILE  10           H        ILE  10   2.088   1.671  -0.093
   72    HA   ILE  10           HA       ILE  10   0.711   4.179   0.548
   73    HB   ILE  10           HB       ILE  10   0.566   2.448  -1.959
   74   HG12  ILE  10          2HG1      ILE  10   1.828   5.173  -1.559
   75   HG13  ILE  10          1HG1      ILE  10   2.706   3.662  -1.745
   76   HG21  ILE  10          1HG2      ILE  10  -0.770   4.258  -2.929
   77   HG22  ILE  10          2HG2      ILE  10  -0.700   5.138  -1.405
   78   HG23  ILE  10          3HG2      ILE  10  -1.555   3.596  -1.493
   79   HD11  ILE  10          1HD1      ILE  10   1.812   3.432  -4.011
   80   HD12  ILE  10          2HD1      ILE  10   2.710   4.934  -3.805
   81   HD13  ILE  10          3HD1      ILE  10   0.944   4.956  -3.817
   82    H    ALA  11           H        PRG  11  -1.388   4.001   1.273
   83    HA   ALA  11           HA       PRG  11  -2.343   1.273   1.366
   84    HB1  ALA  11          1HB       PRG  11  -3.348   1.617   3.548
   85    HB2  ALA  11          2HB       PRG  11  -2.758   3.251   3.646
   86    H    PHE  12           H        PHE  12  -4.183   0.849   0.772
   87    HA   PHE  12           HA       PHE  12  -5.822   3.024  -0.309
   88    HB2  PHE  12          2HB       PHE  12  -5.726   0.092  -1.074
   89    HB3  PHE  12          1HB       PHE  12  -6.752   1.304  -1.820
   90    HD1  PHE  12          1HD       PHE  12  -3.339   0.003  -1.533
   91    HD2  PHE  12          2HD       PHE  12  -5.834   2.896  -3.392
   92    HE1  PHE  12          1HE       PHE  12  -1.577   0.440  -3.196
   93    HE2  PHE  12          2HE       PHE  12  -4.074   3.347  -5.059
   94    HZ   PHE  12           HZ       PHE  12  -1.945   2.118  -4.961
   95    HA   PRO  13           HA       PRO  13  -8.838   2.030   2.934
   96    HB2  PRO  13          2HB       PRO  13 -10.706   3.071   0.857
   97    HB3  PRO  13          1HB       PRO  13 -10.568   3.530   2.557
   98    HG2  PRO  13          2HG       PRO  13  -9.624   5.145   0.685
   99    HG3  PRO  13          1HG       PRO  13  -8.703   4.877   2.177
  100    HD2  PRO  13          2HD       PRO  13  -8.240   3.760  -0.559
  101    HD3  PRO  13          1HD       PRO  13  -7.068   4.325   0.652
  102    H    ASP  14           H        ASP  14  -8.782   0.886  -0.236
  103    HA   ASP  14           HA       ASP  14 -10.881  -0.953  -0.463
  104    HB2  ASP  14          2HB       ASP  14  -9.388  -0.406  -2.319
  105    HB3  ASP  14          1HB       ASP  14  -8.026  -1.116  -1.468
  106    H1   WMH 101          1HG       AZH   3  -2.426  -0.724   4.852
  107    H2   WMH 101          2HG       AZH   3  -2.586  -0.216   3.217
  108    H5   WMH 101           HD       PRG  11  -0.079   3.581   4.033
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -8.001  -0.932   1.577
    2    HA2  GLY   1          2HA       GLY   1  -7.582  -2.217   3.620
    3    HA3  GLY   1          1HA       GLY   1  -8.450  -3.549   2.872
    4    H    ARG   2           H        ARG   2  -6.623  -1.993   0.595
    5    HA   ARG   2           HA       ARG   2  -4.625  -4.123   0.680
    6    HB2  ARG   2          2HB       ARG   2  -5.885  -3.962  -1.398
    7    HB3  ARG   2          1HB       ARG   2  -5.477  -2.264  -1.553
    8    HG2  ARG   2          2HG       ARG   2  -3.145  -2.822  -1.914
    9    HG3  ARG   2          1HG       ARG   2  -3.492  -4.530  -1.661
   10    HD2  ARG   2          2HD       ARG   2  -3.300  -3.980  -4.047
   11    HD3  ARG   2          1HD       ARG   2  -4.911  -4.557  -3.639
   12    HE   ARG   2           HE       ARG   2  -5.240  -1.914  -3.468
   13   HH11  ARG   2          1HH1      ARG   2  -3.815  -3.884  -6.051
   14   HH12  ARG   2          2HH1      ARG   2  -4.185  -2.760  -7.274
   15   HH21  ARG   2          1HH2      ARG   2  -5.778  -0.427  -5.156
   16   HH22  ARG   2          2HH2      ARG   2  -5.328  -0.768  -6.759
   17    H    ALA   3           H        AZH   3  -2.629  -3.686   1.306
   18    HA   ALA   3           HA       AZH   3  -1.600  -0.950   1.084
   19    HB2  ALA   3          1HB       AZH   3  -0.133  -1.907   3.112
   20    HB3  ALA   3          2HB       AZH   3  -1.586  -2.861   3.363
   21    H    THR   4           H        THR   4   0.342  -0.732   0.095
   22    HA   THR   4           HA       THR   4   1.353  -3.096  -1.130
   23    HB   THR   4           HB       THR   4   2.935  -1.563  -2.302
   24    HG1  THR   4          1HG       THR   4   3.119   0.452  -1.773
   25   HG21  THR   4          1HG2      THR   4   1.243  -0.351  -3.603
   26   HG22  THR   4          2HG2      THR   4   0.060  -0.656  -2.331
   27   HG23  THR   4          3HG2      THR   4   0.726  -2.001  -3.256
   28    H    LYS   5           H        LYS   5   3.222  -4.127  -0.718
   29    HA   LYS   5           HA       LYS   5   4.457  -3.633   1.852
   30    HB2  LYS   5          2HB       LYS   5   5.664  -5.741   1.409
   31    HB3  LYS   5          1HB       LYS   5   3.925  -5.920   1.227
   32    HG2  LYS   5          2HG       LYS   5   4.198  -5.731  -1.224
   33    HG3  LYS   5          1HG       LYS   5   5.940  -5.634  -0.986
   34    HD2  LYS   5          2HD       LYS   5   5.957  -7.846   0.002
   35    HD3  LYS   5          1HD       LYS   5   4.200  -7.940  -0.130
   36    HE2  LYS   5          2HE       LYS   5   5.239  -9.169  -1.942
   37    HE3  LYS   5          1HE       LYS   5   4.381  -7.768  -2.567
   38    HZ1  LYS   5          1HZ       LYS   5   6.538  -6.606  -2.660
   39    HZ2  LYS   5          2HZ       LYS   5   6.461  -7.943  -3.650
   40    HZ3  LYS   5          3HZ       LYS   5   7.317  -8.035  -2.200
   41    H    SER   6           H        SER   6   4.898  -2.263  -1.023
   42    HA   SER   6           HA       SER   6   7.760  -2.297  -1.131
   43    HB2  SER   6          2HB       SER   6   7.109  -0.594  -3.026
   44    HB3  SER   6          1HB       SER   6   6.851  -2.324  -3.253
   45    HG   SER   6           HG       SER   6   5.066  -0.311  -3.177
   46    H    ILE   7           H        ILE   7   8.752  -0.014  -1.467
   47    HA   ILE   7           HA       ILE   7   7.590   1.842   0.483
   48    HB   ILE   7           HB       ILE   7  10.553   1.296   0.010
   49   HG12  ILE   7          2HG1      ILE   7   8.820   0.773   2.439
   50   HG13  ILE   7          1HG1      ILE   7   9.456  -0.449   1.349
   51   HG21  ILE   7          1HG2      ILE   7  10.989   2.896   1.817
   52   HG22  ILE   7          2HG2      ILE   7   9.266   3.243   1.930
   53   HG23  ILE   7          3HG2      ILE   7  10.156   3.665   0.464
   54   HD11  ILE   7          1HD1      ILE   7  10.734  -0.360   3.409
   55   HD12  ILE   7          2HD1      ILE   7  11.074   1.349   3.147
   56   HD13  ILE   7          3HD1      ILE   7  11.736   0.142   2.047
   57    HA   PRO   8           HA       PRO   8   7.400   3.926   0.938
   58    HB2  PRO   8          2HB       PRO   8   5.586   5.789   0.204
   59    HB3  PRO   8          1HB       PRO   8   7.301   6.169   0.390
   60    HG2  PRO   8          2HG       PRO   8   5.739   5.630  -2.103
   61    HG3  PRO   8          1HG       PRO   8   6.981   6.857  -1.807
   62    HD2  PRO   8          2HD       PRO   8   7.462   4.507  -3.119
   63    HD3  PRO   8          1HD       PRO   8   8.698   5.384  -2.200
   64    HA   PRO   9           HA       PRO   9   3.894   1.195   0.556
   65    HB2  PRO   9          2HB       PRO   9   2.898   1.498   3.081
   66    HB3  PRO   9          1HB       PRO   9   4.302   0.495   2.711
   67    HG2  PRO   9          2HG       PRO   9   4.188   3.268   3.808
   68    HG3  PRO   9          1HG       PRO   9   5.260   1.932   4.258
   69    HD2  PRO   9          2HD       PRO   9   6.043   3.971   2.650
   70    HD3  PRO   9          1HD       PRO   9   6.691   2.326   2.500
   71    H    ILE  10           H        ILE  10   2.055   1.607  -0.390
   72    HA   ILE  10           HA       ILE  10   0.626   4.101   0.182
   73    HB   ILE  10           HB       ILE  10   0.535   2.308  -2.273
   74   HG12  ILE  10          2HG1      ILE  10   2.643   3.536  -2.184
   75   HG13  ILE  10          1HG1      ILE  10   1.626   4.164  -3.474
   76   HG21  ILE  10          1HG2      ILE  10  -1.614   3.378  -1.888
   77   HG22  ILE  10          2HG2      ILE  10  -0.831   4.061  -3.314
   78   HG23  ILE  10          3HG2      ILE  10  -0.828   4.956  -1.796
   79   HD11  ILE  10          1HD1      ILE  10   2.760   5.960  -2.302
   80   HD12  ILE  10          2HD1      ILE  10   2.070   5.428  -0.771
   81   HD13  ILE  10          3HD1      ILE  10   1.019   6.065  -2.037
   82    H    ALA  11           H        PRG  11  -1.293   3.832   1.170
   83    HA   ALA  11           HA       PRG  11  -2.326   1.117   1.142
   84    HB1  ALA  11          1HB       PRG  11  -3.282   1.411   3.343
   85    HB2  ALA  11          2HB       PRG  11  -2.680   3.033   3.475
   86    H    PHE  12           H        PHE  12  -4.160   0.729   0.555
   87    HA   PHE  12           HA       PHE  12  -5.792   2.899  -0.518
   88    HB2  PHE  12          2HB       PHE  12  -5.851  -0.072  -1.087
   89    HB3  PHE  12          1HB       PHE  12  -6.805   1.154  -1.907
   90    HD1  PHE  12          1HD       PHE  12  -5.715   2.735  -3.433
   91    HD2  PHE  12          2HD       PHE  12  -3.565  -0.471  -1.663
   92    HE1  PHE  12          1HE       PHE  12  -3.951   2.997  -5.110
   93    HE2  PHE  12          2HE       PHE  12  -1.787  -0.216  -3.347
   94    HZ   PHE  12           HZ       PHE  12  -1.982   1.525  -5.077
   95    HA   PRO  13           HA       PRO  13  -8.621   2.275   2.871
   96    HB2  PRO  13          2HB       PRO  13 -10.898   3.238   1.628
   97    HB3  PRO  13          1HB       PRO  13  -9.679   4.238   2.422
   98    HG2  PRO  13          2HG       PRO  13 -10.025   3.615  -0.473
   99    HG3  PRO  13          1HG       PRO  13  -9.558   5.140   0.298
  100    HD2  PRO  13          2HD       PRO  13  -7.754   3.555  -0.898
  101    HD3  PRO  13          1HD       PRO  13  -7.355   4.477   0.567
  102    H    ASP  14           H        ASP  14  -8.858   0.648  -0.086
  103    HA   ASP  14           HA       ASP  14 -11.208  -0.922   0.415
  104    HB2  ASP  14          2HB       ASP  14  -8.803  -1.595  -1.307
  105    HB3  ASP  14          1HB       ASP  14 -10.301  -2.506  -1.276
  106    H1   WMH 101          1HG       AZH   3  -2.378  -0.989   4.572
  107    H2   WMH 101          2HG       AZH   3  -2.580  -0.405   2.971
  108    H5   WMH 101           HD       PRG  11   0.001   3.346   3.792
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -8.108  -1.036   1.169
    2    HA2  GLY   1          2HA       GLY   1  -7.494  -2.573   2.910
    3    HA3  GLY   1          1HA       GLY   1  -8.420  -3.817   2.059
    4    H    ARG   2           H        ARG   2  -5.904  -1.478   1.271
    5    HA   ARG   2           HA       ARG   2  -4.309  -3.636   0.137
    6    HB2  ARG   2          2HB       ARG   2  -5.704  -2.729  -1.693
    7    HB3  ARG   2          1HB       ARG   2  -5.049  -1.132  -1.385
    8    HG2  ARG   2          2HG       ARG   2  -3.908  -2.015  -3.272
    9    HG3  ARG   2          1HG       ARG   2  -2.781  -2.056  -1.916
   10    HD2  ARG   2          2HD       ARG   2  -2.654  -4.118  -3.180
   11    HD3  ARG   2          1HD       ARG   2  -3.304  -4.430  -1.568
   12    HE   ARG   2           HE       ARG   2  -5.294  -3.950  -3.576
   13   HH11  ARG   2          1HH1      ARG   2  -3.323  -6.478  -2.054
   14   HH12  ARG   2          2HH1      ARG   2  -4.383  -7.751  -2.455
   15   HH21  ARG   2          1HH2      ARG   2  -6.721  -5.692  -4.151
   16   HH22  ARG   2          2HH2      ARG   2  -6.392  -7.289  -3.682
   17    H    ALA   3           H        AZH   3  -2.394  -3.394   1.007
   18    HA   ALA   3           HA       AZH   3  -1.243  -0.741   1.298
   19    HB2  ALA   3          1HB       AZH   3  -0.163  -1.918   3.434
   20    HB3  ALA   3          2HB       AZH   3  -1.653  -2.852   3.373
   21    H    THR   4           H        THR   4   0.837  -0.639   0.606
   22    HA   THR   4           HA       THR   4   1.745  -2.965  -0.788
   23    HB   THR   4           HB       THR   4   3.484  -1.332  -1.663
   24    HG1  THR   4          1HG       THR   4   3.458   0.655  -0.981
   25   HG21  THR   4          1HG2      THR   4   1.860  -0.198  -3.128
   26   HG22  THR   4          2HG2      THR   4   0.563  -0.635  -2.018
   27   HG23  THR   4          3HG2      THR   4   1.433  -1.893  -2.894
   28    H    LYS   5           H        LYS   5   3.623  -4.050  -0.458
   29    HA   LYS   5           HA       LYS   5   4.835  -3.671   2.165
   30    HB2  LYS   5          2HB       LYS   5   5.730  -5.960   1.862
   31    HB3  LYS   5          1HB       LYS   5   3.982  -5.905   1.761
   32    HG2  LYS   5          2HG       LYS   5   4.138  -6.022  -0.698
   33    HG3  LYS   5          1HG       LYS   5   5.894  -6.139  -0.563
   34    HD2  LYS   5          2HD       LYS   5   5.649  -8.210   0.738
   35    HD3  LYS   5          1HD       LYS   5   3.896  -8.082   0.613
   36    HE2  LYS   5          2HE       LYS   5   4.727  -9.680  -1.009
   37    HE3  LYS   5          1HE       LYS   5   4.087  -8.264  -1.837
   38    HZ1  LYS   5          1HZ       LYS   5   6.183  -9.008  -2.786
   39    HZ2  LYS   5          2HZ       LYS   5   6.970  -8.787  -1.319
   40    HZ3  LYS   5          3HZ       LYS   5   6.347  -7.465  -2.138
   41    H    SER   6           H        SER   6   5.296  -2.484  -0.681
   42    HA   SER   6           HA       SER   6   8.217  -2.536  -0.533
   43    HB2  SER   6          2HB       SER   6   6.405  -2.046  -2.899
   44    HB3  SER   6          1HB       SER   6   8.171  -1.996  -2.947
   45    HG   SER   6           HG       SER   6   7.899  -4.212  -2.027
   46    H    ILE   7           H        ILE   7   9.064  -0.366  -1.513
   47    HA   ILE   7           HA       ILE   7   7.711   1.748  -0.054
   48    HB   ILE   7           HB       ILE   7  10.462   1.641  -1.352
   49   HG12  ILE   7          2HG1      ILE   7   9.642   1.567   1.560
   50   HG13  ILE   7          1HG1      ILE   7  10.223   0.197   0.624
   51   HG21  ILE   7          1HG2      ILE   7   9.593   3.943  -1.329
   52   HG22  ILE   7          2HG2      ILE   7  10.958   3.737  -0.233
   53   HG23  ILE   7          3HG2      ILE   7   9.321   3.814   0.413
   54   HD11  ILE   7          1HD1      ILE   7  11.803   2.672   1.301
   55   HD12  ILE   7          2HD1      ILE   7  12.400   1.278   0.398
   56   HD13  ILE   7          3HD1      ILE   7  11.945   1.105   2.092
   57    HA   PRO   8           HA       PRO   8   7.255   3.743   0.030
   58    HB2  PRO   8          2HB       PRO   8   5.058   5.351  -0.849
   59    HB3  PRO   8          1HB       PRO   8   6.692   5.871  -0.434
   60    HG2  PRO   8          2HG       PRO   8   5.626   5.993  -2.973
   61    HG3  PRO   8          1HG       PRO   8   7.359   5.912  -2.620
   62    HD2  PRO   8          2HD       PRO   8   5.483   3.713  -3.404
   63    HD3  PRO   8          1HD       PRO   8   7.140   4.030  -3.964
   64    HA   PRO   9           HA       PRO   9   3.725   1.281   1.144
   65    HB2  PRO   9          2HB       PRO   9   3.376   2.102   3.699
   66    HB3  PRO   9          1HB       PRO   9   4.728   1.066   3.230
   67    HG2  PRO   9          2HG       PRO   9   4.673   4.010   3.708
   68    HG3  PRO   9          1HG       PRO   9   5.909   2.832   4.175
   69    HD2  PRO   9          2HD       PRO   9   6.112   4.482   1.994
   70    HD3  PRO   9          1HD       PRO   9   6.918   2.908   2.102
   71    H    ILE  10           H        ILE  10   1.961   1.923   0.089
   72    HA   ILE  10           HA       ILE  10   0.584   4.300   1.082
   73    HB   ILE  10           HB       ILE  10   1.387   4.718  -1.211
   74   HG12  ILE  10          2HG1      ILE  10  -1.607   4.253  -1.176
   75   HG13  ILE  10          1HG1      ILE  10  -0.793   5.670  -0.530
   76   HG21  ILE  10          1HG2      ILE  10   0.603   3.395  -3.123
   77   HG22  ILE  10          2HG2      ILE  10  -0.168   2.267  -2.007
   78   HG23  ILE  10          3HG2      ILE  10   1.585   2.443  -2.004
   79   HD11  ILE  10          1HD1      ILE  10  -1.770   6.127  -2.700
   80   HD12  ILE  10          2HD1      ILE  10  -0.842   4.809  -3.412
   81   HD13  ILE  10          3HD1      ILE  10  -0.011   6.231  -2.782
   82    H    ALA  11           H        PRG  11  -1.578   4.049   1.545
   83    HA   ALA  11           HA       PRG  11  -2.477   1.294   1.279
   84    HB1  ALA  11          1HB       PRG  11  -3.470   1.337   3.445
   85    HB2  ALA  11          2HB       PRG  11  -2.973   2.980   3.751
   86    H    PHE  12           H        PHE  12  -4.465   0.943   0.879
   87    HA   PHE  12           HA       PHE  12  -6.090   3.261   0.071
   88    HB2  PHE  12          2HB       PHE  12  -6.054   0.523  -1.226
   89    HB3  PHE  12          1HB       PHE  12  -6.981   1.910  -1.751
   90    HD1  PHE  12          1HD       PHE  12  -5.932   3.743  -2.951
   91    HD2  PHE  12          2HD       PHE  12  -3.645   0.395  -1.653
   92    HE1  PHE  12          1HE       PHE  12  -4.105   4.406  -4.447
   93    HE2  PHE  12          2HE       PHE  12  -1.815   1.060  -3.152
   94    HZ   PHE  12           HZ       PHE  12  -2.047   3.068  -4.553
   95    HA   PRO  13           HA       PRO  13  -9.017   1.862   3.131
   96    HB2  PRO  13          2HB       PRO  13 -11.296   2.799   1.775
   97    HB3  PRO  13          1HB       PRO  13 -10.335   3.683   2.962
   98    HG2  PRO  13          2HG       PRO  13 -10.252   3.807  -0.006
   99    HG3  PRO  13          1HG       PRO  13  -9.977   5.084   1.185
  100    HD2  PRO  13          2HD       PRO  13  -7.971   3.947  -0.162
  101    HD3  PRO  13          1HD       PRO  13  -7.777   4.468   1.526
  102    H    ASP  14           H        ASP  14  -9.259   0.901  -0.179
  103    HA   ASP  14           HA       ASP  14 -11.302  -1.040  -0.104
  104    HB2  ASP  14          2HB       ASP  14 -10.307  -0.385  -2.215
  105    HB3  ASP  14          1HB       ASP  14  -8.726  -0.942  -1.693
  106    H1   WMH 101          1HG       AZH   3  -2.499  -1.035   4.672
  107    H2   WMH 101          2HG       AZH   3  -2.643  -0.442   3.070
  108    H5   WMH 101           HD       PRG  11  -0.277   3.407   4.104
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -8.139  -1.057   1.270
    2    HA2  GLY   1          2HA       GLY   1  -7.323  -2.919   2.553
    3    HA3  GLY   1          1HA       GLY   1  -8.397  -3.963   1.617
    4    H    ARG   2           H        ARG   2  -5.829  -1.607   1.065
    5    HA   ARG   2           HA       ARG   2  -4.484  -3.475  -0.667
    6    HB2  ARG   2          2HB       ARG   2  -6.132  -2.246  -2.125
    7    HB3  ARG   2          1HB       ARG   2  -5.337  -0.756  -1.665
    8    HG2  ARG   2          2HG       ARG   2  -3.296  -1.445  -2.736
    9    HG3  ARG   2          1HG       ARG   2  -3.999  -3.022  -3.111
   10    HD2  ARG   2          2HD       ARG   2  -5.005  -0.361  -4.121
   11    HD3  ARG   2          1HD       ARG   2  -4.053  -1.516  -5.053
   12    HE   ARG   2           HE       ARG   2  -6.241  -2.921  -4.163
   13   HH11  ARG   2          1HH1      ARG   2  -5.785  -0.017  -6.166
   14   HH12  ARG   2          2HH1      ARG   2  -7.167  -0.293  -7.114
   15   HH21  ARG   2          1HH2      ARG   2  -8.174  -3.262  -5.478
   16   HH22  ARG   2          2HH2      ARG   2  -8.575  -2.148  -6.688
   17    H    ALA   3           H        AZH   3  -2.742  -3.441   0.575
   18    HA   ALA   3           HA       AZH   3  -1.354  -0.882   0.964
   19    HB2  ALA   3          1HB       AZH   3  -0.315  -2.335   2.960
   20    HB3  ALA   3          2HB       AZH   3  -1.909  -3.071   2.886
   21    H    THR   4           H        THR   4   0.649  -0.773   0.220
   22    HA   THR   4           HA       THR   4   1.832  -3.209  -0.771
   23    HB   THR   4           HB       THR   4   3.475  -1.596  -1.831
   24    HG1  THR   4          1HG       THR   4   3.151   0.490  -1.713
   25   HG21  THR   4          1HG2      THR   4   0.557  -1.167  -2.500
   26   HG22  THR   4          2HG2      THR   4   1.573  -2.475  -3.106
   27   HG23  THR   4          3HG2      THR   4   1.915  -0.807  -3.565
   28    H    LYS   5           H        LYS   5   3.741  -3.983   0.034
   29    HA   LYS   5           HA       LYS   5   4.566  -2.828   2.591
   30    HB2  LYS   5          2HB       LYS   5   4.887  -5.613   1.484
   31    HB3  LYS   5          1HB       LYS   5   5.593  -5.088   3.004
   32    HG2  LYS   5          2HG       LYS   5   3.335  -4.587   3.862
   33    HG3  LYS   5          1HG       LYS   5   2.652  -5.172   2.347
   34    HD2  LYS   5          2HD       LYS   5   4.338  -6.834   4.227
   35    HD3  LYS   5          1HD       LYS   5   2.578  -6.837   4.207
   36    HE2  LYS   5          2HE       LYS   5   4.356  -7.622   1.885
   37    HE3  LYS   5          1HE       LYS   5   3.551  -8.737   2.982
   38    HZ1  LYS   5          1HZ       LYS   5   2.324  -8.437   0.906
   39    HZ2  LYS   5          2HZ       LYS   5   2.161  -6.801   1.207
   40    HZ3  LYS   5          3HZ       LYS   5   1.413  -7.907   2.219
   41    H    SER   6           H        SER   6   5.401  -2.245  -0.267
   42    HA   SER   6           HA       SER   6   8.289  -2.291   0.223
   43    HB2  SER   6          2HB       SER   6   6.818  -2.280  -2.433
   44    HB3  SER   6          1HB       SER   6   8.569  -2.324  -2.213
   45    HG   SER   6           HG       SER   6   8.389  -4.331  -1.278
   46    H    ILE   7           H        ILE   7   9.358  -0.284  -0.496
   47    HA   ILE   7           HA       ILE   7   7.724   1.989   0.126
   48    HB   ILE   7           HB       ILE   7  10.652   1.842  -0.692
   49   HG12  ILE   7          2HG1      ILE   7   9.429   2.061   2.065
   50   HG13  ILE   7          1HG1      ILE   7  10.127   0.599   1.382
   51   HG21  ILE   7          1HG2      ILE   7   9.144   4.111   0.619
   52   HG22  ILE   7          2HG2      ILE   7   9.708   4.081  -1.049
   53   HG23  ILE   7          3HG2      ILE   7  10.874   4.081   0.275
   54   HD11  ILE   7          1HD1      ILE   7  11.588   3.162   1.958
   55   HD12  ILE   7          2HD1      ILE   7  12.300   1.711   1.259
   56   HD13  ILE   7          3HD1      ILE   7  11.669   1.679   2.908
   57    HA   PRO   8           HA       PRO   8   7.209   3.967  -0.215
   58    HB2  PRO   8          2HB       PRO   8   5.089   5.145  -1.795
   59    HB3  PRO   8          1HB       PRO   8   6.517   5.935  -1.124
   60    HG2  PRO   8          2HG       PRO   8   6.134   5.584  -3.802
   61    HG3  PRO   8          1HG       PRO   8   7.736   5.653  -3.052
   62    HD2  PRO   8          2HD       PRO   8   6.127   3.248  -3.850
   63    HD3  PRO   8          1HD       PRO   8   7.851   3.585  -4.136
   64    HA   PRO   9           HA       PRO   9   3.824   1.132   0.442
   65    HB2  PRO   9          2HB       PRO   9   3.459   1.732   3.124
   66    HB3  PRO   9          1HB       PRO   9   4.592   0.534   2.501
   67    HG2  PRO   9          2HG       PRO   9   5.147   3.094   3.723
   68    HG3  PRO   9          1HG       PRO   9   6.280   1.815   3.276
   69    HD2  PRO   9          2HD       PRO   9   5.708   4.311   1.920
   70    HD3  PRO   9          1HD       PRO   9   6.975   3.120   1.578
   71    H    ILE  10           H        ILE  10   2.002   1.745  -0.427
   72    HA   ILE  10           HA       ILE  10   0.662   4.095   0.674
   73    HB   ILE  10           HB       ILE  10   1.314   4.423  -1.684
   74   HG12  ILE  10          2HG1      ILE  10  -0.919   4.981  -2.650
   75   HG13  ILE  10          1HG1      ILE  10  -1.671   4.100  -1.328
   76   HG21  ILE  10          1HG2      ILE  10   1.388   2.156  -2.472
   77   HG22  ILE  10          2HG2      ILE  10   0.315   3.105  -3.502
   78   HG23  ILE  10          3HG2      ILE  10  -0.361   2.004  -2.302
   79   HD11  ILE  10          1HD1      ILE  10  -1.700   6.502  -0.949
   80   HD12  ILE  10          2HD1      ILE  10   0.059   6.549  -1.049
   81   HD13  ILE  10          3HD1      ILE  10  -0.728   5.681   0.269
   82    H    ALA  11           H        PRG  11  -1.457   3.860   1.337
   83    HA   ALA  11           HA       PRG  11  -2.499   1.158   1.126
   84    HB1  ALA  11          1HB       PRG  11  -3.280   1.212   3.422
   85    HB2  ALA  11          2HB       PRG  11  -2.606   2.790   3.700
   86    H    PHE  12           H        PHE  12  -4.603   0.941   0.999
   87    HA   PHE  12           HA       PHE  12  -6.204   3.368   0.673
   88    HB2  PHE  12          2HB       PHE  12  -6.228   0.926  -1.113
   89    HB3  PHE  12          1HB       PHE  12  -7.380   2.244  -1.211
   90    HD1  PHE  12          1HD       PHE  12  -4.008   1.140  -1.986
   91    HD2  PHE  12          2HD       PHE  12  -6.670   4.460  -2.000
   92    HE1  PHE  12          1HE       PHE  12  -2.505   2.337  -3.505
   93    HE2  PHE  12          2HE       PHE  12  -5.169   5.664  -3.520
   94    HZ   PHE  12           HZ       PHE  12  -3.080   4.604  -4.279
   95    HA   PRO  13           HA       PRO  13  -8.923   1.671   3.794
   96    HB2  PRO  13          2HB       PRO  13 -10.937   2.867   1.937
   97    HB3  PRO  13          1HB       PRO  13 -10.811   3.000   3.694
   98    HG2  PRO  13          2HG       PRO  13 -10.007   4.990   2.150
   99    HG3  PRO  13          1HG       PRO  13  -9.082   4.537   3.591
  100    HD2  PRO  13          2HD       PRO  13  -8.453   4.076   0.721
  101    HD3  PRO  13          1HD       PRO  13  -7.369   4.315   2.105
  102    H    ASP  14           H        ASP  14  -9.402   1.047   0.400
  103    HA   ASP  14           HA       ASP  14 -11.481  -0.860   0.464
  104    HB2  ASP  14          2HB       ASP  14  -9.159  -0.647  -1.463
  105    HB3  ASP  14          1HB       ASP  14 -10.596  -1.625  -1.713
  106    H1   WMH 101          1HG       AZH   3  -2.367  -1.308   4.406
  107    H2   WMH 101          2HG       AZH   3  -2.676  -0.598   2.858
  108    H5   WMH 101           HD       PRG  11   0.148   2.966   3.835
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -8.116  -1.052   1.124
    2    HA2  GLY   1          2HA       GLY   1  -7.508  -2.931   2.535
    3    HA3  GLY   1          1HA       GLY   1  -8.459  -3.957   1.464
    4    H    ARG   2           H        ARG   2  -6.024  -1.448   0.930
    5    HA   ARG   2           HA       ARG   2  -4.403  -3.404  -0.502
    6    HB2  ARG   2          2HB       ARG   2  -5.230  -0.717  -1.619
    7    HB3  ARG   2          1HB       ARG   2  -3.981  -1.738  -2.305
    8    HG2  ARG   2          2HG       ARG   2  -5.643  -3.462  -2.775
    9    HG3  ARG   2          1HG       ARG   2  -6.894  -2.450  -2.054
   10    HD2  ARG   2          2HD       ARG   2  -6.531  -0.747  -3.734
   11    HD3  ARG   2          1HD       ARG   2  -5.207  -1.679  -4.427
   12    HE   ARG   2           HE       ARG   2  -7.294  -3.380  -4.494
   13   HH11  ARG   2          1HH1      ARG   2  -6.885  -0.093  -5.720
   14   HH12  ARG   2          2HH1      ARG   2  -7.827  -0.323  -7.105
   15   HH21  ARG   2          1HH2      ARG   2  -8.630  -3.711  -6.398
   16   HH22  ARG   2          2HH2      ARG   2  -8.846  -2.428  -7.493
   17    H    ALA   3           H        AZH   3  -2.633  -3.370   0.668
   18    HA   ALA   3           HA       AZH   3  -1.304  -0.821   1.122
   19    HB2  ALA   3          1HB       AZH   3  -0.404  -2.179   3.260
   20    HB3  ALA   3          2HB       AZH   3  -2.008  -2.891   3.137
   21    H    THR   4           H        THR   4   0.770  -0.815   0.534
   22    HA   THR   4           HA       THR   4   1.779  -3.332  -0.457
   23    HB   THR   4           HB       THR   4   3.419  -1.789  -1.672
   24    HG1  THR   4          1HG       THR   4   2.830   0.321  -1.845
   25   HG21  THR   4          1HG2      THR   4   1.777  -1.199  -3.396
   26   HG22  THR   4          2HG2      THR   4   0.468  -1.504  -2.255
   27   HG23  THR   4          3HG2      THR   4   1.501  -2.831  -2.788
   28    H    LYS   5           H        LYS   5   3.779  -4.080   0.108
   29    HA   LYS   5           HA       LYS   5   4.847  -2.994   2.605
   30    HB2  LYS   5          2HB       LYS   5   5.252  -5.656   1.248
   31    HB3  LYS   5          1HB       LYS   5   6.102  -5.167   2.705
   32    HG2  LYS   5          2HG       LYS   5   3.121  -5.466   2.421
   33    HG3  LYS   5          1HG       LYS   5   4.207  -6.637   3.172
   34    HD2  LYS   5          2HD       LYS   5   4.864  -4.888   4.820
   35    HD3  LYS   5          1HD       LYS   5   3.666  -3.812   4.098
   36    HE2  LYS   5          2HE       LYS   5   2.736  -4.846   6.072
   37    HE3  LYS   5          1HE       LYS   5   1.911  -5.449   4.636
   38    HZ1  LYS   5          1HZ       LYS   5   4.061  -6.862   6.111
   39    HZ2  LYS   5          2HZ       LYS   5   3.279  -7.445   4.741
   40    HZ3  LYS   5          3HZ       LYS   5   2.413  -7.218   6.177
   41    H    SER   6           H        SER   6   5.306  -2.636  -0.535
   42    HA   SER   6           HA       SER   6   8.191  -2.562  -0.559
   43    HB2  SER   6          2HB       SER   6   6.189  -1.561  -2.600
   44    HB3  SER   6          1HB       SER   6   7.904  -1.883  -2.869
   45    HG   SER   6           HG       SER   6   6.757  -4.041  -1.804
   46    H    ILE   7           H        ILE   7   9.077  -0.323  -1.460
   47    HA   ILE   7           HA       ILE   7   7.821   1.764   0.139
   48    HB   ILE   7           HB       ILE   7  10.715   1.568  -0.793
   49   HG12  ILE   7          2HG1      ILE   7   9.538   1.227   1.973
   50   HG13  ILE   7          1HG1      ILE   7  10.086  -0.090   0.946
   51   HG21  ILE   7          1HG2      ILE   7   9.387   3.553   1.067
   52   HG22  ILE   7          2HG2      ILE   7   9.953   3.894  -0.565
   53   HG23  ILE   7          3HG2      ILE   7  11.111   3.484   0.703
   54   HD11  ILE   7          1HD1      ILE   7  12.359   0.793   1.042
   55   HD12  ILE   7          2HD1      ILE   7  11.721   0.455   2.651
   56   HD13  ILE   7          3HD1      ILE   7  11.798   2.116   2.063
   57    HA   PRO   8           HA       PRO   8   7.336   3.659   0.262
   58    HB2  PRO   8          2HB       PRO   8   5.355   5.382  -0.881
   59    HB3  PRO   8          1HB       PRO   8   6.875   5.847  -0.117
   60    HG2  PRO   8          2HG       PRO   8   6.332   6.192  -2.786
   61    HG3  PRO   8          1HG       PRO   8   7.965   6.026  -2.123
   62    HD2  PRO   8          2HD       PRO   8   6.231   3.939  -3.409
   63    HD3  PRO   8          1HD       PRO   8   7.965   4.256  -3.648
   64    HA   PRO   9           HA       PRO   9   3.667   1.097   0.511
   65    HB2  PRO   9          2HB       PRO   9   2.831   1.890   2.991
   66    HB3  PRO   9          1HB       PRO   9   4.154   0.747   2.744
   67    HG2  PRO   9          2HG       PRO   9   4.269   3.682   3.310
   68    HG3  PRO   9          1HG       PRO   9   5.259   2.374   3.982
   69    HD2  PRO   9          2HD       PRO   9   6.153   3.973   2.014
   70    HD3  PRO   9          1HD       PRO   9   6.606   2.261   2.112
   71    H    ILE  10           H        ILE  10   1.733   1.499  -0.314
   72    HA   ILE  10           HA       ILE  10   0.495   4.145   0.107
   73    HB   ILE  10           HB       ILE  10   0.162   2.377  -2.349
   74   HG12  ILE  10          2HG1      ILE  10   1.813   4.898  -2.103
   75   HG13  ILE  10          1HG1      ILE  10   2.486   3.273  -2.159
   76   HG21  ILE  10          1HG2      ILE  10  -0.858   4.389  -3.324
   77   HG22  ILE  10          2HG2      ILE  10  -0.604   5.252  -1.808
   78   HG23  ILE  10          3HG2      ILE  10  -1.712   3.879  -1.867
   79   HD11  ILE  10          1HD1      ILE  10   0.893   4.612  -4.330
   80   HD12  ILE  10          2HD1      ILE  10   1.552   2.978  -4.398
   81   HD13  ILE  10          3HD1      ILE  10   2.640   4.365  -4.312
   82    H    ALA  11           H        PRG  11  -1.355   3.892   1.286
   83    HA   ALA  11           HA       PRG  11  -2.574   1.248   1.143
   84    HB1  ALA  11          1HB       PRG  11  -3.331   1.449   3.413
   85    HB2  ALA  11          2HB       PRG  11  -2.633   3.030   3.598
   86    H    PHE  12           H        PHE  12  -4.568   1.012   0.881
   87    HA   PHE  12           HA       PHE  12  -6.297   3.382   0.613
   88    HB2  PHE  12          2HB       PHE  12  -6.365   0.863  -1.076
   89    HB3  PHE  12          1HB       PHE  12  -7.496   2.193  -1.185
   90    HD1  PHE  12          1HD       PHE  12  -6.911   4.239  -2.309
   91    HD2  PHE  12          2HD       PHE  12  -4.087   1.075  -1.925
   92    HE1  PHE  12          1HE       PHE  12  -5.498   5.294  -4.014
   93    HE2  PHE  12          2HE       PHE  12  -2.672   2.132  -3.629
   94    HZ   PHE  12           HZ       PHE  12  -3.372   4.239  -4.674
   95    HA   PRO  13           HA       PRO  13  -8.705   1.294   3.812
   96    HB2  PRO  13          2HB       PRO  13 -10.836   2.864   2.434
   97    HB3  PRO  13          1HB       PRO  13 -10.492   2.714   4.162
   98    HG2  PRO  13          2HG       PRO  13  -9.766   4.894   2.851
   99    HG3  PRO  13          1HG       PRO  13  -8.693   4.171   4.065
  100    HD2  PRO  13          2HD       PRO  13  -8.489   4.137   1.095
  101    HD3  PRO  13          1HD       PRO  13  -7.219   4.178   2.321
  102    H    ASP  14           H        ASP  14  -9.343   1.127   0.408
  103    HA   ASP  14           HA       ASP  14 -11.457  -0.761   0.343
  104    HB2  ASP  14          2HB       ASP  14  -9.149  -0.401  -1.593
  105    HB3  ASP  14          1HB       ASP  14 -10.449  -1.542  -1.862
  106    H1   WMH 101          1HG       AZH   3  -2.477  -1.014   4.545
  107    H2   WMH 101          2HG       AZH   3  -2.750  -0.429   2.939
  108    H5   WMH 101           HD       PRG  11   0.095   3.184   3.670
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -8.197  -1.007   1.268
    2    HA2  GLY   1          2HA       GLY   1  -7.585  -2.060   3.454
    3    HA3  GLY   1          1HA       GLY   1  -8.687  -3.356   2.983
    4    H    ARG   2           H        ARG   2  -6.019  -1.546   1.570
    5    HA   ARG   2           HA       ARG   2  -4.615  -4.004   0.952
    6    HB2  ARG   2          2HB       ARG   2  -5.460  -1.955  -1.086
    7    HB3  ARG   2          1HB       ARG   2  -4.109  -3.030  -1.351
    8    HG2  ARG   2          2HG       ARG   2  -5.624  -4.942  -1.212
    9    HG3  ARG   2          1HG       ARG   2  -6.980  -3.840  -0.940
   10    HD2  ARG   2          2HD       ARG   2  -6.785  -4.556  -3.300
   11    HD3  ARG   2          1HD       ARG   2  -6.627  -2.811  -3.089
   12    HE   ARG   2           HE       ARG   2  -4.175  -4.345  -3.131
   13   HH11  ARG   2          1HH1      ARG   2  -6.456  -2.411  -5.021
   14   HH12  ARG   2          2HH1      ARG   2  -5.306  -1.924  -6.179
   15   HH21  ARG   2          1HH2      ARG   2  -2.578  -3.685  -4.748
   16   HH22  ARG   2          2HH2      ARG   2  -3.034  -2.671  -6.023
   17    H    ALA   3           H        AZH   3  -2.428  -3.669   0.977
   18    HA   ALA   3           HA       AZH   3  -1.349  -0.986   1.000
   19    HB2  ALA   3          1HB       AZH   3   0.039  -1.867   3.084
   20    HB3  ALA   3          2HB       AZH   3  -1.402  -2.841   3.347
   21    H    THR   4           H        THR   4   0.631  -0.927   0.095
   22    HA   THR   4           HA       THR   4   1.498  -3.400  -1.084
   23    HB   THR   4           HB       THR   4   3.141  -2.005  -2.302
   24    HG1  THR   4          1HG       THR   4   3.605  -0.108  -1.657
   25   HG21  THR   4          1HG2      THR   4   0.337  -0.877  -2.322
   26   HG22  THR   4          2HG2      THR   4   0.897  -2.272  -3.244
   27   HG23  THR   4          3HG2      THR   4   1.531  -0.666  -3.602
   28    H    LYS   5           H        LYS   5   3.782  -4.033  -1.042
   29    HA   LYS   5           HA       LYS   5   4.865  -3.746   1.648
   30    HB2  LYS   5          2HB       LYS   5   4.401  -6.032   0.775
   31    HB3  LYS   5          1HB       LYS   5   5.505  -5.735  -0.553
   32    HG2  LYS   5          2HG       LYS   5   6.523  -7.147   1.152
   33    HG3  LYS   5          1HG       LYS   5   7.366  -5.607   1.010
   34    HD2  LYS   5          2HD       LYS   5   6.156  -4.773   2.969
   35    HD3  LYS   5          1HD       LYS   5   5.339  -6.329   3.123
   36    HE2  LYS   5          2HE       LYS   5   7.203  -6.184   4.665
   37    HE3  LYS   5          1HE       LYS   5   7.511  -7.415   3.447
   38    HZ1  LYS   5          1HZ       LYS   5   8.984  -5.870   2.302
   39    HZ2  LYS   5          2HZ       LYS   5   9.459  -6.047   3.885
   40    HZ3  LYS   5          3HZ       LYS   5   8.637  -4.659   3.420
   41    H    SER   6           H        SER   6   5.079  -2.093  -1.036
   42    HA   SER   6           HA       SER   6   7.913  -1.965  -1.399
   43    HB2  SER   6          2HB       SER   6   7.152  -0.121  -3.010
   44    HB3  SER   6          1HB       SER   6   6.656  -1.774  -3.374
   45    HG   SER   6           HG       SER   6   4.922  -0.466  -3.588
   46    H    ILE   7           H        ILE   7   8.797   0.373  -1.502
   47    HA   ILE   7           HA       ILE   7   7.761   1.982   0.710
   48    HB   ILE   7           HB       ILE   7  10.684   1.549  -0.047
   49   HG12  ILE   7          2HG1      ILE   7   9.171   0.796   2.474
   50   HG13  ILE   7          1HG1      ILE   7   9.705  -0.324   1.229
   51   HG21  ILE   7          1HG2      ILE   7  10.299   3.862   0.631
   52   HG22  ILE   7          2HG2      ILE   7  11.235   3.005   1.856
   53   HG23  ILE   7          3HG2      ILE   7   9.517   3.312   2.113
   54   HD11  ILE   7          1HD1      ILE   7  11.160  -0.388   3.178
   55   HD12  ILE   7          2HD1      ILE   7  11.493   1.335   2.998
   56   HD13  ILE   7          3HD1      ILE   7  12.033   0.198   1.763
   57    HA   PRO   8           HA       PRO   8   7.268   3.926   1.270
   58    HB2  PRO   8          2HB       PRO   8   5.236   5.601  -0.014
   59    HB3  PRO   8          1HB       PRO   8   6.366   6.028   1.269
   60    HG2  PRO   8          2HG       PRO   8   6.583   7.036  -1.223
   61    HG3  PRO   8          1HG       PRO   8   7.999   6.700  -0.209
   62    HD2  PRO   8          2HD       PRO   8   6.836   5.061  -2.434
   63    HD3  PRO   8          1HD       PRO   8   8.534   5.460  -2.103
   64    HA   PRO   9           HA       PRO   9   4.018   0.985   0.493
   65    HB2  PRO   9          2HB       PRO   9   2.748   1.084   2.901
   66    HB3  PRO   9          1HB       PRO   9   4.294   0.260   2.674
   67    HG2  PRO   9          2HG       PRO   9   3.744   2.972   3.803
   68    HG3  PRO   9          1HG       PRO   9   4.896   1.745   4.357
   69    HD2  PRO   9          2HD       PRO   9   5.627   3.898   2.874
   70    HD3  PRO   9          1HD       PRO   9   6.469   2.339   2.795
   71    H    ILE  10           H        ILE  10   2.192   1.267  -0.585
   72    HA   ILE  10           HA       ILE  10   0.689   3.750  -0.245
   73    HB   ILE  10           HB       ILE  10   0.519   1.683  -2.465
   74   HG12  ILE  10          2HG1      ILE  10   1.913   4.374  -2.491
   75   HG13  ILE  10          1HG1      ILE  10   2.724   2.815  -2.432
   76   HG21  ILE  10          1HG2      ILE  10  -0.602   4.480  -2.266
   77   HG22  ILE  10          2HG2      ILE  10  -1.527   2.982  -2.172
   78   HG23  ILE  10          3HG2      ILE  10  -0.719   3.425  -3.676
   79   HD11  ILE  10          1HD1      ILE  10   1.782   2.260  -4.624
   80   HD12  ILE  10          2HD1      ILE  10   2.761   3.722  -4.680
   81   HD13  ILE  10          3HD1      ILE  10   1.001   3.840  -4.680
   82    H    ALA  11           H        PRG  11  -1.300   3.605   0.685
   83    HA   ALA  11           HA       PRG  11  -2.400   0.921   0.881
   84    HB1  ALA  11          1HB       PRG  11  -3.278   1.323   3.068
   85    HB2  ALA  11          2HB       PRG  11  -2.767   2.982   3.099
   86    H    PHE  12           H        PHE  12  -4.461   0.632   0.727
   87    HA   PHE  12           HA       PHE  12  -5.899   2.814  -0.607
   88    HB2  PHE  12          2HB       PHE  12  -6.127  -0.158  -1.143
   89    HB3  PHE  12          1HB       PHE  12  -6.981   1.117  -1.987
   90    HD1  PHE  12          1HD       PHE  12  -5.825   2.598  -3.552
   91    HD2  PHE  12          2HD       PHE  12  -3.797  -0.635  -1.664
   92    HE1  PHE  12          1HE       PHE  12  -4.006   2.778  -5.195
   93    HE2  PHE  12          2HE       PHE  12  -1.979  -0.464  -3.301
   94    HZ   PHE  12           HZ       PHE  12  -2.076   1.247  -5.072
   95    HA   PRO  13           HA       PRO  13  -8.832   2.807   2.749
   96    HB2  PRO  13          2HB       PRO  13 -10.728   3.230   0.477
   97    HB3  PRO  13          1HB       PRO  13 -10.598   4.098   2.013
   98    HG2  PRO  13          2HG       PRO  13  -9.614   5.178  -0.188
   99    HG3  PRO  13          1HG       PRO  13  -8.718   5.285   1.336
  100    HD2  PRO  13          2HD       PRO  13  -8.195   3.578  -1.050
  101    HD3  PRO  13          1HD       PRO  13  -7.060   4.332   0.089
  102    H    ASP  14           H        ASP  14  -9.502   0.888  -0.121
  103    HA   ASP  14           HA       ASP  14 -11.634  -0.691   0.793
  104    HB2  ASP  14          2HB       ASP  14 -10.875  -0.719  -1.540
  105    HB3  ASP  14          1HB       ASP  14  -9.371  -1.488  -1.050
  106    H1   WMH 101          1HG       AZH   3  -2.185  -0.927   4.510
  107    H2   WMH 101          2HG       AZH   3  -2.487  -0.467   2.885
  108    H5   WMH 101           HD       PRG  11  -0.112   3.461   3.382
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -8.307  -0.829   1.504
    2    HA2  GLY   1          2HA       GLY   1  -7.649  -2.391   3.276
    3    HA3  GLY   1          1HA       GLY   1  -8.830  -3.508   2.611
    4    H    ARG   2           H        ARG   2  -6.099  -1.595   1.376
    5    HA   ARG   2           HA       ARG   2  -4.808  -4.031   0.524
    6    HB2  ARG   2          2HB       ARG   2  -6.241  -3.482  -1.404
    7    HB3  ARG   2          1HB       ARG   2  -5.549  -1.872  -1.474
    8    HG2  ARG   2          2HG       ARG   2  -4.597  -3.259  -3.206
    9    HG3  ARG   2          1HG       ARG   2  -3.357  -2.869  -2.016
   10    HD2  ARG   2          2HD       ARG   2  -3.220  -5.214  -2.686
   11    HD3  ARG   2          1HD       ARG   2  -3.653  -5.073  -0.985
   12    HE   ARG   2           HE       ARG   2  -5.990  -5.238  -2.523
   13   HH11  ARG   2          1HH1      ARG   2  -3.295  -7.341  -1.550
   14   HH12  ARG   2          2HH1      ARG   2  -4.211  -8.762  -1.609
   15   HH21  ARG   2          1HH2      ARG   2  -7.219  -7.218  -2.642
   16   HH22  ARG   2          2HH2      ARG   2  -6.489  -8.699  -2.246
   17    H    ALA   3           H        AZH   3  -2.795  -3.798   1.170
   18    HA   ALA   3           HA       AZH   3  -1.480  -1.205   0.934
   19    HB2  ALA   3          1HB       AZH   3  -0.267  -2.146   3.129
   20    HB3  ALA   3          2HB       AZH   3  -1.833  -2.915   3.346
   21    H    THR   4           H        THR   4   0.489  -1.305   0.055
   22    HA   THR   4           HA       THR   4   1.456  -3.930  -0.704
   23    HB   THR   4           HB       THR   4   2.962  -2.546  -2.199
   24    HG1  THR   4          1HG       THR   4   2.064  -0.381  -2.498
   25   HG21  THR   4          1HG2      THR   4  -0.021  -2.133  -2.485
   26   HG22  THR   4          2HG2      THR   4   0.876  -3.548  -3.031
   27   HG23  THR   4          3HG2      THR   4   1.164  -1.979  -3.781
   28    H    LYS   5           H        LYS   5   3.931  -4.171  -0.670
   29    HA   LYS   5           HA       LYS   5   4.904  -3.146   1.904
   30    HB2  LYS   5          2HB       LYS   5   5.858  -5.527   0.303
   31    HB3  LYS   5          1HB       LYS   5   6.597  -4.961   1.791
   32    HG2  LYS   5          2HG       LYS   5   4.392  -5.364   2.925
   33    HG3  LYS   5          1HG       LYS   5   3.848  -6.123   1.431
   34    HD2  LYS   5          2HD       LYS   5   4.604  -7.850   2.944
   35    HD3  LYS   5          1HD       LYS   5   5.748  -7.725   1.608
   36    HE2  LYS   5          2HE       LYS   5   7.270  -6.413   3.003
   37    HE3  LYS   5          1HE       LYS   5   6.109  -6.442   4.326
   38    HZ1  LYS   5          1HZ       LYS   5   7.824  -8.045   4.672
   39    HZ2  LYS   5          2HZ       LYS   5   7.562  -8.771   3.188
   40    HZ3  LYS   5          3HZ       LYS   5   6.389  -8.882   4.397
   41    H    SER   6           H        SER   6   4.956  -1.678  -0.657
   42    HA   SER   6           HA       SER   6   7.682  -1.618  -1.496
   43    HB2  SER   6          2HB       SER   6   6.856   0.385  -2.786
   44    HB3  SER   6          1HB       SER   6   5.979  -1.112  -3.108
   45    HG   SER   6           HG       SER   6   5.186   1.193  -1.714
   46    H    ILE   7           H        ILE   7   8.675   0.709  -1.562
   47    HA   ILE   7           HA       ILE   7   8.178   2.117   0.943
   48    HB   ILE   7           HB       ILE   7  10.921   1.559  -0.269
   49   HG12  ILE   7          2HG1      ILE   7   9.733   0.607   2.359
   50   HG13  ILE   7          1HG1      ILE   7   9.980  -0.393   0.934
   51   HG21  ILE   7          1HG2      ILE   7  10.811   3.787   0.702
   52   HG22  ILE   7          2HG2      ILE   7  11.816   2.736   1.700
   53   HG23  ILE   7          3HG2      ILE   7  10.170   3.120   2.204
   54   HD11  ILE   7          1HD1      ILE   7  12.134   0.927   2.575
   55   HD12  ILE   7          2HD1      ILE   7  12.399  -0.060   1.138
   56   HD13  ILE   7          3HD1      ILE   7  11.710  -0.785   2.592
   57    HA   PRO   8           HA       PRO   8   7.275   3.826   1.408
   58    HB2  PRO   8          2HB       PRO   8   5.286   5.517   0.759
   59    HB3  PRO   8          1HB       PRO   8   6.897   6.107   1.188
   60    HG2  PRO   8          2HG       PRO   8   5.685   5.721  -1.522
   61    HG3  PRO   8          1HG       PRO   8   6.611   7.099  -0.900
   62    HD2  PRO   8          2HD       PRO   8   7.722   5.172  -2.449
   63    HD3  PRO   8          1HD       PRO   8   8.632   6.036  -1.197
   64    HA   PRO   9           HA       PRO   9   4.172   0.919   0.065
   65    HB2  PRO   9          2HB       PRO   9   2.669   0.748   2.300
   66    HB3  PRO   9          1HB       PRO   9   4.283   0.040   2.186
   67    HG2  PRO   9          2HG       PRO   9   3.415   2.589   3.474
   68    HG3  PRO   9          1HG       PRO   9   4.606   1.403   4.035
   69    HD2  PRO   9          2HD       PRO   9   5.260   3.758   2.795
   70    HD3  PRO   9          1HD       PRO   9   6.272   2.298   2.763
   71    H    ILE  10           H        ILE  10   2.193   0.967  -0.880
   72    HA   ILE  10           HA       ILE  10   0.732   3.501  -0.713
   73    HB   ILE  10           HB       ILE  10   0.586   1.323  -2.834
   74   HG12  ILE  10          2HG1      ILE  10   1.909   4.049  -2.960
   75   HG13  ILE  10          1HG1      ILE  10   2.755   2.514  -2.836
   76   HG21  ILE  10          1HG2      ILE  10  -0.635   4.093  -2.771
   77   HG22  ILE  10          2HG2      ILE  10  -1.509   2.570  -2.616
   78   HG23  ILE  10          3HG2      ILE  10  -0.705   2.974  -4.132
   79   HD11  ILE  10          1HD1      ILE  10   1.864   1.863  -5.026
   80   HD12  ILE  10          2HD1      ILE  10   2.796   3.359  -5.107
   81   HD13  ILE  10          3HD1      ILE  10   1.034   3.415  -5.137
   82    H    ALA  11           H        PRG  11  -1.209   3.455   0.309
   83    HA   ALA  11           HA       PRG  11  -2.403   0.820   0.638
   84    HB1  ALA  11          1HB       PRG  11  -3.219   1.391   2.810
   85    HB2  ALA  11          2HB       PRG  11  -2.548   2.987   2.773
   86    H    PHE  12           H        PHE  12  -4.496   0.655   0.567
   87    HA   PHE  12           HA       PHE  12  -6.022   2.950  -0.443
   88    HB2  PHE  12          2HB       PHE  12  -6.326   0.012  -1.130
   89    HB3  PHE  12          1HB       PHE  12  -7.351   1.304  -1.727
   90    HD1  PHE  12          1HD       PHE  12  -4.121  -0.362  -2.036
   91    HD2  PHE  12          2HD       PHE  12  -6.523   2.873  -3.407
   92    HE1  PHE  12          1HE       PHE  12  -2.628  -0.077  -3.960
   93    HE2  PHE  12          2HE       PHE  12  -5.030   3.164  -5.334
   94    HZ   PHE  12           HZ       PHE  12  -3.083   1.695  -5.619
   95    HA   PRO  13           HA       PRO  13  -8.288   2.363   3.335
   96    HB2  PRO  13          2HB       PRO  13 -10.654   3.549   2.553
   97    HB3  PRO  13          1HB       PRO  13  -9.233   4.419   3.133
   98    HG2  PRO  13          2HG       PRO  13 -10.134   3.915   0.337
   99    HG3  PRO  13          1HG       PRO  13  -9.442   5.386   1.044
  100    HD2  PRO  13          2HD       PRO  13  -7.975   3.746  -0.478
  101    HD3  PRO  13          1HD       PRO  13  -7.271   4.566   0.932
  102    H    ASP  14           H        ASP  14  -9.481   1.143   0.311
  103    HA   ASP  14           HA       ASP  14 -11.637  -0.315   1.438
  104    HB2  ASP  14          2HB       ASP  14 -10.237  -0.578  -1.197
  105    HB3  ASP  14          1HB       ASP  14 -11.370  -1.819  -0.678
  106    H1   WMH 101          1HG       AZH   3  -2.355  -0.858   4.409
  107    H2   WMH 101          2HG       AZH   3  -2.634  -0.486   2.754
  108    H5   WMH 101           HD       PRG  11   0.159   3.202   3.000
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -8.204  -0.896   1.633
    2    HA2  GLY   1          2HA       GLY   1  -7.408  -2.399   3.353
    3    HA3  GLY   1          1HA       GLY   1  -8.592  -3.579   2.792
    4    H    ARG   2           H        ARG   2  -5.945  -1.644   1.563
    5    HA   ARG   2           HA       ARG   2  -4.795  -3.919   0.207
    6    HB2  ARG   2          2HB       ARG   2  -6.471  -3.220  -1.372
    7    HB3  ARG   2          1HB       ARG   2  -6.019  -1.550  -1.191
    8    HG2  ARG   2          2HG       ARG   2  -3.889  -2.040  -2.339
    9    HG3  ARG   2          1HG       ARG   2  -4.429  -3.713  -2.556
   10    HD2  ARG   2          2HD       ARG   2  -6.292  -3.045  -3.861
   11    HD3  ARG   2          1HD       ARG   2  -6.057  -1.349  -3.453
   12    HE   ARG   2           HE       ARG   2  -3.895  -2.600  -4.886
   13   HH11  ARG   2          1HH1      ARG   2  -6.898  -0.696  -5.134
   14   HH12  ARG   2          2HH1      ARG   2  -6.542  -0.086  -6.683
   15   HH21  ARG   2          1HH2      ARG   2  -3.441  -1.768  -7.034
   16   HH22  ARG   2          2HH2      ARG   2  -4.561  -0.750  -7.807
   17    H    ALA   3           H        AZH   3  -2.817  -3.688   0.996
   18    HA   ALA   3           HA       AZH   3  -1.472  -1.096   0.845
   19    HB2  ALA   3          1HB       AZH   3  -0.299  -2.121   3.018
   20    HB3  ALA   3          2HB       AZH   3  -1.881  -2.868   3.191
   21    H    THR   4           H        THR   4   0.512  -1.154   0.039
   22    HA   THR   4           HA       THR   4   1.473  -3.745  -0.860
   23    HB   THR   4           HB       THR   4   2.963  -2.403  -2.321
   24    HG1  THR   4          1HG       THR   4   3.270  -0.399  -1.892
   25   HG21  THR   4          1HG2      THR   4   0.059  -1.565  -2.394
   26   HG22  THR   4          2HG2      THR   4   0.739  -3.010  -3.145
   27   HG23  THR   4          3HG2      THR   4   1.196  -1.409  -3.730
   28    H    LYS   5           H        LYS   5   3.786  -4.227  -0.637
   29    HA   LYS   5           HA       LYS   5   4.826  -3.287   1.925
   30    HB2  LYS   5          2HB       LYS   5   5.366  -5.698   0.219
   31    HB3  LYS   5          1HB       LYS   5   6.472  -5.239   1.503
   32    HG2  LYS   5          2HG       LYS   5   3.540  -5.780   1.923
   33    HG3  LYS   5          1HG       LYS   5   4.807  -6.992   2.129
   34    HD2  LYS   5          2HD       LYS   5   5.872  -5.560   3.836
   35    HD3  LYS   5          1HD       LYS   5   4.580  -4.382   3.636
   36    HE2  LYS   5          2HE       LYS   5   4.174  -7.233   4.530
   37    HE3  LYS   5          1HE       LYS   5   4.306  -5.854   5.616
   38    HZ1  LYS   5          1HZ       LYS   5   2.191  -6.204   3.545
   39    HZ2  LYS   5          2HZ       LYS   5   2.326  -4.921   4.644
   40    HZ3  LYS   5          3HZ       LYS   5   2.022  -6.466   5.199
   41    H    SER   6           H        SER   6   4.931  -1.829  -0.654
   42    HA   SER   6           HA       SER   6   7.703  -1.755  -1.374
   43    HB2  SER   6          2HB       SER   6   6.898   0.176  -2.792
   44    HB3  SER   6          1HB       SER   6   6.082  -1.359  -3.099
   45    HG   SER   6           HG       SER   6   5.173   0.944  -1.782
   46    H    ILE   7           H        ILE   7   8.823   0.433  -1.298
   47    HA   ILE   7           HA       ILE   7   7.968   2.024   0.984
   48    HB   ILE   7           HB       ILE   7  10.804   1.165   0.341
   49   HG12  ILE   7          2HG1      ILE   7   9.089   0.778   2.804
   50   HG13  ILE   7          1HG1      ILE   7   9.498  -0.459   1.623
   51   HG21  ILE   7          1HG2      ILE   7  10.835   3.524   0.915
   52   HG22  ILE   7          2HG2      ILE   7  11.519   2.568   2.232
   53   HG23  ILE   7          3HG2      ILE   7   9.882   3.209   2.366
   54   HD11  ILE   7          1HD1      ILE   7  10.831  -0.656   3.640
   55   HD12  ILE   7          2HD1      ILE   7  11.434   0.986   3.405
   56   HD13  ILE   7          3HD1      ILE   7  11.833  -0.278   2.240
   57    HA   PRO   8           HA       PRO   8   7.289   3.821   1.398
   58    HB2  PRO   8          2HB       PRO   8   5.435   5.568   0.476
   59    HB3  PRO   8          1HB       PRO   8   6.998   6.090   1.115
   60    HG2  PRO   8          2HG       PRO   8   6.123   5.752  -1.719
   61    HG3  PRO   8          1HG       PRO   8   7.074   7.054  -0.987
   62    HD2  PRO   8          2HD       PRO   8   8.198   5.027  -2.406
   63    HD3  PRO   8          1HD       PRO   8   9.031   5.841  -1.067
   64    HA   PRO   9           HA       PRO   9   4.143   1.036  -0.058
   65    HB2  PRO   9          2HB       PRO   9   2.641   0.858   2.159
   66    HB3  PRO   9          1HB       PRO   9   4.266   0.171   2.081
   67    HG2  PRO   9          2HG       PRO   9   3.346   2.722   3.330
   68    HG3  PRO   9          1HG       PRO   9   4.528   1.546   3.925
   69    HD2  PRO   9          2HD       PRO   9   5.187   3.895   2.656
   70    HD3  PRO   9          1HD       PRO   9   6.220   2.452   2.712
   71    H    ILE  10           H        ILE  10   2.033   1.031  -0.813
   72    HA   ILE  10           HA       ILE  10   0.666   3.624  -0.762
   73    HB   ILE  10           HB       ILE  10   0.413   1.394  -2.818
   74   HG12  ILE  10          2HG1      ILE  10   1.987   3.972  -3.062
   75   HG13  ILE  10          1HG1      ILE  10   2.705   2.385  -2.823
   76   HG21  ILE  10          1HG2      ILE  10  -0.668   3.142  -4.179
   77   HG22  ILE  10          2HG2      ILE  10  -0.493   4.277  -2.839
   78   HG23  ILE  10          3HG2      ILE  10  -1.526   2.859  -2.665
   79   HD11  ILE  10          1HD1      ILE  10   2.847   3.075  -5.145
   80   HD12  ILE  10          2HD1      ILE  10   1.095   3.271  -5.212
   81   HD13  ILE  10          3HD1      ILE  10   1.795   1.668  -4.985
   82    H    ALA  11           H        PRG  11  -1.344   3.581   0.207
   83    HA   ALA  11           HA       PRG  11  -2.509   0.945   0.617
   84    HB1  ALA  11          1HB       PRG  11  -3.209   1.474   2.850
   85    HB2  ALA  11          2HB       PRG  11  -2.492   3.054   2.804
   86    H    PHE  12           H        PHE  12  -4.570   0.792   0.575
   87    HA   PHE  12           HA       PHE  12  -6.111   3.136  -0.267
   88    HB2  PHE  12          2HB       PHE  12  -6.450   0.275  -1.216
   89    HB3  PHE  12          1HB       PHE  12  -7.357   1.667  -1.759
   90    HD1  PHE  12          1HD       PHE  12  -6.567   3.051  -3.499
   91    HD2  PHE  12          2HD       PHE  12  -4.004   0.105  -1.821
   92    HE1  PHE  12          1HE       PHE  12  -4.965   3.399  -5.325
   93    HE2  PHE  12          2HE       PHE  12  -2.403   0.450  -3.645
   94    HZ   PHE  12           HZ       PHE  12  -2.882   2.103  -5.401
   95    HA   PRO  13           HA       PRO  13  -8.468   2.291   3.428
   96    HB2  PRO  13          2HB       PRO  13 -10.917   3.258   2.520
   97    HB3  PRO  13          1HB       PRO  13  -9.630   4.230   3.236
   98    HG2  PRO  13          2HG       PRO  13 -10.262   3.761   0.352
   99    HG3  PRO  13          1HG       PRO  13  -9.776   5.261   1.161
  100    HD2  PRO  13          2HD       PRO  13  -8.026   3.883  -0.277
  101    HD3  PRO  13          1HD       PRO  13  -7.538   4.620   1.268
  102    H    ASP  14           H        ASP  14  -9.491   1.048   0.349
  103    HA   ASP  14           HA       ASP  14 -11.590  -0.654   1.140
  104    HB2  ASP  14          2HB       ASP  14 -11.208  -0.291  -1.200
  105    HB3  ASP  14          1HB       ASP  14  -9.564  -0.902  -1.087
  106    H1   WMH 101          1HG       AZH   3  -2.330  -0.830   4.323
  107    H2   WMH 101          2HG       AZH   3  -2.659  -0.428   2.678
  108    H5   WMH 101           HD       PRG  11   0.218   3.193   2.851