*HEADER    BIOSYNTHETIC PROTEIN                    03-SEP-19   6U7W              
*TITLE     NMR SOLUTION STRUCTURE OF A TRIAZOLE BRIDGED KLK7 INHIBITOR           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLY-LYS-ALA-LEU-PHE-SER-ASN-PRO-PRO-ILE-ALA-PHE-PRO-ASN;   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   4 ORGANISM_TAXID: 4232                                                 
*KEYWDS    TRIAZOLE, DISULFIDE MIMETIC, INHIBITOR, BIOSYNTHETIC PROTEIN          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.M.WHITE,P.J.HARVEY,T.DUREK,D.J.CRAIK                                
*REVDAT   1   22-APR-20 6U7W    0                                                
# Restraints file 1: restraints.tbl
!distance restraints
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   3 and name   HA)   (resid   4 and name   HN)   2.255    0.455    0.455  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.240    0.440    0.440  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.835    1.035    1.035  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.835    1.035    1.035  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.850    1.050    1.050  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.245    0.445    0.445  
assign (resid   5 and name   HA)   (resid   5 and name  HD#)   2.745    0.945    0.945  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.485    0.685    0.685  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.840    1.040    1.040  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.840    1.040    1.040  
assign (resid  10 and name   HN)   (resid  10 and name HG11)   3.485    1.685    1.685  
assign (resid  10 and name   HN)   (resid  10 and name   HB)   2.815    1.015    1.015  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.690    0.890    0.890  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.260    0.460    0.460  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.975    1.175    1.175  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.450    0.650    0.650  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.270    0.470    0.470  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.565    0.765    0.765  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.565    0.765    0.765  
assign (resid  12 and name  HB1)   (resid  13 and name  HD1)   2.920    1.120    1.120  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.325    0.525    0.525  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.510    0.710    0.710  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.510    0.710    0.710  
assign (resid  10 and name   HN)   (resid  10 and name HG12)   3.485    1.685    1.685  
assign (resid   3 and name   HA)   (resid  12 and name   HN)   3.040    1.240    1.240  
assign (resid   4 and name   HN)   (resid  11 and name   HA)   3.075    1.275    1.275  
assign (resid   1 and name   HN)   (resid  14 and name   HA)   2.880    1.080    1.080  
assign (resid  12 and name  HB1)   (resid  14 and name   HN)   2.750    0.950    0.950  
assign (resid  12 and name  HB2)   (resid  14 and name   HN)   2.975    1.175    1.175  
assign (resid   2 and name   HN)   (resid  12 and name  HB2)   2.940    1.140    1.140  
assign (resid  10 and name HG2#)   (resid  11 and name   HN)   2.975    1.175    1.175  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.680    0.880    0.880  
assign (resid   2 and name  HB2)   (resid  14 and name HD22)   3.650    1.850    1.850  
assign (resid   2 and name  HB1)   (resid  14 and name HD22)   3.650    1.850    1.850  
assign (resid   2 and name  HB2)   (resid  12 and name  HD#)   3.440    1.640    1.640  
assign (resid   2 and name  HB1)   (resid  12 and name  HD#)   3.440    1.640    1.640  
assign (resid  11 and name   HD)   (resid  11 and name  HB2)   2.510    0.710    0.710  
assign (resid  11 and name   HD)   (resid  11 and name  HB1)   3.010    1.210    1.210  
assign (resid  11 and name   HD)   (resid  10 and name   HA)   3.145    1.345    1.345  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.560    0.760    0.760  
assign (resid   1 and name   HN)   (resid  14 and name   HN)   2.565    0.765    0.765  
assign (resid  10 and name   HA)   (resid  10 and name HG2#)   2.790    0.990    0.990  
assign (resid  10 and name   HA)   (resid  10 and name HD1#)   2.890    1.090    1.090  
assign (resid   3 and name  HG1)   (resid  12 and name   HN)   3.195    1.395    1.395  
assign (resid   3 and name   HN)   (resid   3 and name  HG2)   3.090    1.290    1.290  
assign (resid   3 and name   HN)   (resid   3 and name  HG1)   3.165    1.365    1.365  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.850    1.050    1.050  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   3.255    1.455    1.455  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   3.255    1.455    1.455  
assign (resid  10 and name   HB)   (resid  11 and name   HN)   3.115    1.315    1.315  
assign (resid   2 and name   HN)   (resid   2 and name  HD2)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name  HD1)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid   6 and name   HA)   2.335    0.535    0.535  
assign (resid  10 and name   HN)   (resid  10 and name HG2#)   3.405    1.605    1.605  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   3.095    1.295    1.295  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   3.270    1.470    1.470  
assign (resid   2 and name   HN)   (resid  12 and name   HN)   3.105    1.305    1.305  
assign (resid  12 and name   HN)   (resid  14 and name   HN)   3.615    1.815    1.815  
assign (resid   1 and name   HN)   (resid  12 and name   HN)   3.400    1.600    1.600  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   3.400    1.600    1.600  
assign (resid  11 and name   HD)   (resid  11 and name   HN)   2.985    1.185    1.185  
assign (resid   4 and name   HN)   (resid  10 and name   HN)   2.840    1.040    1.040  
assign (resid  12 and name   HN)   (resid  12 and name  HD#)   2.860    1.060    1.060  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   3.190    1.390    1.390  
assign (resid   1 and name   HN)   (resid  13 and name   HA)   3.150    1.350    1.350  
assign (resid   1 and name   HN)   (resid  12 and name  HB2)   3.240    1.440    1.440  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.235    1.435    1.435  
assign (resid   2 and name  HB2)   (resid  14 and name HD21)   3.650    1.850    1.850  
assign (resid   2 and name  HB1)   (resid  14 and name HD21)   3.650    1.850    1.850  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.235    1.435    1.435  
assign (resid   2 and name  HB2)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HB1)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid  10 and name HG2#)   3.470    1.670    1.670  
assign (resid   3 and name   HA)   (resid  11 and name   HA)   2.925    1.125    1.125  
assign (resid   3 and name  HG1)   (resid  11 and name   HA)   2.950    1.150    1.150  
assign (resid   3 and name   HA)   (resid   3 and name  HG1)   2.855    1.055    1.055  
assign (resid   7 and name   HA)   (resid   9 and name  HD1)   3.040    1.240    1.240  
assign (resid   7 and name   HA)   (resid   9 and name  HD2)   3.040    1.240    1.240  
assign (resid  12 and name  HB1)   (resid  13 and name  HD2)   2.920    1.120    1.120  
assign (resid   3 and name  HG1)   (resid  11 and name  HB2)   2.870    1.070    1.070  
assign (resid   3 and name  HG1)   (resid  11 and name  HB1)   2.625    0.825    0.825  
assign (resid   3 and name  HG2)   (resid  11 and name  HB1)   3.165    1.365    1.365  
assign (resid   3 and name  HG2)   (resid  11 and name  HB2)   3.410    1.610    1.610  
assign (resid   2 and name  HB2)   (resid  12 and name  HB2)   3.445    1.645    1.645  
assign (resid   2 and name  HB1)   (resid  12 and name  HB2)   3.445    1.645    1.645  
assign (resid   4 and name   HA)   (resid   4 and name HD1#)   3.200    1.400    1.400  
assign (resid   4 and name   HA)   (resid   4 and name HD2#)   3.200    1.400    1.400  
assign (resid  10 and name   HB)   (resid  10 and name HD1#)   2.740    0.940    0.940  
assign (resid   1 and name   HN)   (resid  14 and name  HB#)   3.330    1.530    1.530  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.560    0.760    0.760  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   3.230    1.430    1.430  
assign (resid   2 and name   HN)   (resid  14 and name  HB#)   3.570    1.770    1.770  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   2.955    1.155    1.155  
assign (resid   2 and name  HB#)   (resid  12 and name  HB2)   3.125    1.325    1.325  
assign (resid   2 and name  HB#)   (resid  12 and name  HD#)   3.130    1.330    1.330  
assign (resid   2 and name  HB#)   (resid  14 and name HD2#)   3.005    1.205    1.205  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.460    0.660    0.660  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.530    0.730    0.730  
assign (resid   4 and name   HA)   (resid   4 and name  HD#)   2.730    0.930    0.930  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.780    0.980    0.980  
assign (resid   4 and name  HB#)   (resid   6 and name  HB#)   3.130    1.330    1.330  
assign (resid   4 and name   HG)   (resid   6 and name  HB#)   3.570    1.770    1.770  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.480    0.680    0.680  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.420    0.620    0.620  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.555    0.755    0.755  
assign (resid   7 and name   HA)   (resid   9 and name  HD#)   2.775    0.975    0.975  
assign (resid   8 and name   HA)   (resid   9 and name  HD#)   2.270    0.470    0.470  
assign (resid   8 and name  HB#)   (resid   9 and name  HD#)   2.405    0.605    0.605  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.935    1.135    1.135  
assign (resid  10 and name   HN)   (resid  10 and name HG1#)   3.115    1.315    1.315  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.310    0.510    0.510  
assign (resid  12 and name  HB2)   (resid  14 and name HD2#)   3.330    1.530    1.530  
assign (resid  12 and name  HB1)   (resid  13 and name  HD#)   2.510    0.710    0.710  
assign (resid  12 and name  HD#)   (resid  13 and name  HD#)   3.175    1.375    1.375  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.850    1.050    1.050  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   2.965    1.165    1.165  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.570    0.770    0.770  
assign (resid  14 and name  HB#)   (resid  14 and name HD2#)   2.490    0.690    0.690  


!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 -128.2   22.1 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  153.7   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 -102.4   26.4 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  124.0   20.0 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0 -114.3   51.0 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0   94.5   43.9 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  148.5   30.2 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0   83.5   61.8 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -117.6   36.8 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  131.0   22.6 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0 -106.2   42.5 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  121.1   40.8 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0  -99.1   28.4 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0  111.8   28.8 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name CG   )    1.0  -60.0   30.0 2
assign (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name CB   ) (resid 14    and name CG   )    1.0   60.0   30.0 2

!HBonds
assign (resid 10 and name HN)(resid 4 and name O) 0 0 2
assign (resid 10 and name N)(resid 4 and name O) 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  -7.513  -1.055   0.953
    2    HA2  GLY   1          2HA       GLY   1  -6.934  -2.926   2.339
    3    HA3  GLY   1          1HA       GLY   1  -7.875  -3.953   1.269
    4    H    LYS   2           H        LYS   2  -6.035  -1.738  -0.421
    5    HA   LYS   2           HA       LYS   2  -4.221  -3.855  -1.223
    6    HB2  LYS   2          2HB       LYS   2  -5.396  -2.602  -2.967
    7    HB3  LYS   2          1HB       LYS   2  -4.735  -1.101  -2.357
    8    HG2  LYS   2          2HG       LYS   2  -3.577  -1.756  -4.352
    9    HG3  LYS   2          1HG       LYS   2  -2.479  -1.867  -2.977
   10    HD2  LYS   2          2HD       LYS   2  -2.789  -4.275  -2.904
   11    HD3  LYS   2          1HD       LYS   2  -3.968  -4.175  -4.215
   12    HE2  LYS   2          2HE       LYS   2  -2.253  -3.276  -5.692
   13    HE3  LYS   2          1HE       LYS   2  -1.073  -3.381  -4.390
   14    HZ1  LYS   2          1HZ       LYS   2  -2.515  -5.707  -5.544
   15    HZ2  LYS   2          2HZ       LYS   2  -1.277  -5.768  -4.404
   16    HZ3  LYS   2          3HZ       LYS   2  -0.959  -5.246  -5.972
   17    H    ALA   3           H        AZH   3  -2.480  -4.013   0.010
   18    HA   ALA   3           HA       AZH   3  -1.105  -1.544   0.759
   19    HB1  ALA   3          1HB       AZH   3  -0.066  -3.265   2.540
   20    HB2  ALA   3          2HB       AZH   3  -1.663  -3.975   2.336
   21    H    LEU   4           H        LEU   4   0.860  -1.216   0.204
   22    HA   LEU   4           HA       LEU   4   2.266  -3.401  -1.124
   23    HB2  LEU   4          2HB       LEU   4   2.445  -0.423  -1.567
   24    HB3  LEU   4          1HB       LEU   4   3.479  -1.608  -2.337
   25    HG   LEU   4           HG       LEU   4   0.505  -1.447  -2.666
   26   HD11  LEU   4          1HD1      LEU   4   1.600   0.481  -3.664
   27   HD12  LEU   4          2HD1      LEU   4   0.984  -0.602  -4.912
   28   HD13  LEU   4          3HD1      LEU   4   2.704  -0.587  -4.530
   29   HD21  LEU   4          1HD2      LEU   4   0.919  -2.989  -4.578
   30   HD22  LEU   4          2HD2      LEU   4   1.267  -3.696  -3.005
   31   HD23  LEU   4          3HD2      LEU   4   2.589  -3.140  -4.033
   32    H    PHE   5           H        PHE   5   3.717  -4.156   0.158
   33    HA   PHE   5           HA       PHE   5   4.928  -2.432   2.119
   34    HB2  PHE   5          2HB       PHE   5   5.171  -5.422   1.701
   35    HB3  PHE   5          1HB       PHE   5   5.958  -4.526   2.998
   36    HD1  PHE   5          1HD       PHE   5   2.756  -5.774   1.723
   37    HD2  PHE   5          2HD       PHE   5   4.691  -3.659   4.863
   38    HE1  PHE   5          1HE       PHE   5   0.734  -5.985   3.103
   39    HE2  PHE   5          2HE       PHE   5   2.681  -3.865   6.250
   40    HZ   PHE   5           HZ       PHE   5   0.691  -5.031   5.376
   41    H    SER   6           H        SER   6   5.962  -1.170   0.812
   42    HA   SER   6           HA       SER   6   8.388  -2.158  -0.416
   43    HB2  SER   6          2HB       SER   6   6.560  -1.874  -2.157
   44    HB3  SER   6          1HB       SER   6   6.392  -0.209  -1.665
   45    HG   SER   6           HG       SER   6   8.455  -1.464  -3.072
   46    H    ASN   7           H        ASN   7   9.241   0.412  -1.164
   47    HA   ASN   7           HA       ASN   7   8.883   1.923   1.308
   48    HB2  ASN   7          2HB       ASN   7  11.177   0.921   1.182
   49    HB3  ASN   7          1HB       ASN   7  11.450   1.823  -0.307
   50   HD21  ASN   7          1HD2      ASN   7  11.841   4.044  -0.185
   51   HD22  ASN   7          2HD2      ASN   7  12.118   4.857   1.300
   52    HA   PRO   8           HA       PRO   8   8.168   3.577   2.023
   53    HB2  PRO   8          2HB       PRO   8   5.858   5.247   1.378
   54    HB3  PRO   8          1HB       PRO   8   7.243   5.632   2.402
   55    HG2  PRO   8          2HG       PRO   8   6.830   6.843   0.027
   56    HG3  PRO   8          1HG       PRO   8   8.456   6.520   0.655
   57    HD2  PRO   8          2HD       PRO   8   6.871   4.956  -1.363
   58    HD3  PRO   8          1HD       PRO   8   8.572   5.464  -1.428
   59    HA   PRO   9           HA       PRO   9   4.810   0.613   1.586
   60    HB2  PRO   9          2HB       PRO   9   4.020   1.008   4.365
   61    HB3  PRO   9          1HB       PRO   9   4.817  -0.391   3.642
   62    HG2  PRO   9          2HG       PRO   9   6.067   1.265   5.392
   63    HG3  PRO   9          1HG       PRO   9   6.922   0.404   4.103
   64    HD2  PRO   9          2HD       PRO   9   6.013   3.258   4.191
   65    HD3  PRO   9          1HD       PRO   9   7.545   2.572   3.602
   66    H    ILE  10           H        ILE  10   3.222   1.479   0.401
   67    HA   ILE  10           HA       ILE  10   1.542   3.489   1.657
   68    HB   ILE  10           HB       ILE  10   2.515   4.239  -0.450
   69   HG12  ILE  10          2HG1      ILE  10  -0.443   3.677  -0.810
   70   HG13  ILE  10          1HG1      ILE  10   0.228   5.002   0.131
   71   HG21  ILE  10          1HG2      ILE  10   2.915   2.130  -1.545
   72   HG22  ILE  10          2HG2      ILE  10   1.966   3.179  -2.600
   73   HG23  ILE  10          3HG2      ILE  10   1.180   1.863  -1.729
   74   HD11  ILE  10          1HD1      ILE  10  -0.542   5.755  -2.042
   75   HD12  ILE  10          2HD1      ILE  10   0.538   4.608  -2.836
   76   HD13  ILE  10          3HD1      ILE  10   1.206   5.943  -1.897
   77    H    ALA  11           H        PRG  11  -0.562   3.133   2.031
   78    HA   ALA  11           HA       PRG  11  -1.624   0.582   1.117
   79    HB1  ALA  11          1HB       PRG  11  -2.816   0.292   3.208
   80    HB2  ALA  11          2HB       PRG  11  -2.135   1.724   3.904
   81    H    PHE  12           H        PHE  12  -3.690   0.513   0.604
   82    HA   PHE  12           HA       PHE  12  -4.963   3.123   0.213
   83    HB2  PHE  12          2HB       PHE  12  -5.226   0.608  -1.446
   84    HB3  PHE  12          1HB       PHE  12  -6.030   2.134  -1.767
   85    HD1  PHE  12          1HD       PHE  12  -2.826   0.352  -1.858
   86    HD2  PHE  12          2HD       PHE  12  -4.844   3.984  -2.750
   87    HE1  PHE  12          1HE       PHE  12  -0.925   1.056  -3.249
   88    HE2  PHE  12          2HE       PHE  12  -2.953   4.696  -4.132
   89    HZ   PHE  12           HZ       PHE  12  -0.987   3.233  -4.390
   90    HA   PRO  13           HA       PRO  13  -8.244   1.898   2.944
   91    HB2  PRO  13          2HB       PRO  13 -10.019   3.104   0.874
   92    HB3  PRO  13          1HB       PRO  13  -9.964   3.396   2.617
   93    HG2  PRO  13          2HG       PRO  13  -8.914   5.163   0.965
   94    HG3  PRO  13          1HG       PRO  13  -8.067   4.735   2.463
   95    HD2  PRO  13          2HD       PRO  13  -7.488   3.895  -0.347
   96    HD3  PRO  13          1HD       PRO  13  -6.374   4.307   0.974
   97    H    ASN  14           H        ASN  14  -8.389   0.914  -0.429
   98    HA   ASN  14           HA       ASN  14 -10.657  -0.809   0.000
   99    HB2  ASN  14          2HB       ASN  14 -10.407  -1.600  -2.260
  100    HB3  ASN  14          1HB       ASN  14 -10.183   0.137  -2.270
  101   HD21  ASN  14          1HD2      ASN  14  -9.330  -1.999  -4.100
  102   HD22  ASN  14          2HD2      ASN  14  -7.637  -1.814  -4.304
  103    H1   WMH 101          1HG       AZH   3  -2.303  -2.361   3.966
  104    H2   WMH 101          2HG       AZH   3  -2.289  -1.429   2.531
  105    H5   WMH 101           HD       PRG  11   0.594   1.664   4.416
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -7.785  -0.953   1.283
    2    HA2  GLY   1          2HA       GLY   1  -7.257  -2.794   2.641
    3    HA3  GLY   1          1HA       GLY   1  -8.475  -3.734   1.798
    4    H    LYS   2           H        LYS   2  -5.608  -1.952   0.682
    5    HA   LYS   2           HA       LYS   2  -4.281  -4.428  -0.022
    6    HB2  LYS   2          2HB       LYS   2  -5.012  -2.303  -2.055
    7    HB3  LYS   2          1HB       LYS   2  -3.714  -3.461  -2.340
    8    HG2  LYS   2          2HG       LYS   2  -6.618  -4.142  -1.871
    9    HG3  LYS   2          1HG       LYS   2  -5.824  -4.064  -3.447
   10    HD2  LYS   2          2HD       LYS   2  -4.368  -5.895  -2.866
   11    HD3  LYS   2          1HD       LYS   2  -4.950  -5.895  -1.206
   12    HE2  LYS   2          2HE       LYS   2  -6.644  -6.506  -3.624
   13    HE3  LYS   2          1HE       LYS   2  -5.911  -7.713  -2.575
   14    HZ1  LYS   2          1HZ       LYS   2  -8.176  -7.379  -1.935
   15    HZ2  LYS   2          2HZ       LYS   2  -7.997  -5.725  -1.800
   16    HZ3  LYS   2          3HZ       LYS   2  -7.207  -6.742  -0.717
   17    H    ALA   3           H        AZH   3  -1.989  -4.148  -0.190
   18    HA   ALA   3           HA       AZH   3  -1.027  -1.524   0.575
   19    HB1  ALA   3          1HB       AZH   3   0.392  -2.916   2.356
   20    HB2  ALA   3          2HB       AZH   3  -1.066  -3.899   2.345
   21    H    LEU   4           H        LEU   4   0.934  -1.029  -0.034
   22    HA   LEU   4           HA       LEU   4   2.339  -2.953  -1.680
   23    HB2  LEU   4          2HB       LEU   4   2.597   0.037  -1.399
   24    HB3  LEU   4          1HB       LEU   4   3.732  -0.934  -2.299
   25    HG   LEU   4           HG       LEU   4   2.289   0.117  -3.849
   26   HD11  LEU   4          1HD1      LEU   4   1.285  -1.739  -5.025
   27   HD12  LEU   4          2HD1      LEU   4   1.433  -2.744  -3.589
   28   HD13  LEU   4          3HD1      LEU   4   2.883  -2.147  -4.402
   29   HD21  LEU   4          1HD2      LEU   4  -0.042  -1.023  -2.317
   30   HD22  LEU   4          2HD2      LEU   4  -0.146  -0.139  -3.841
   31   HD23  LEU   4          3HD2      LEU   4   0.429   0.674  -2.387
   32    H    PHE   5           H        PHE   5   3.742  -4.066  -0.652
   33    HA   PHE   5           HA       PHE   5   5.043  -3.078   1.717
   34    HB2  PHE   5          2HB       PHE   5   5.541  -5.692   0.265
   35    HB3  PHE   5          1HB       PHE   5   5.934  -5.312   1.940
   36    HD1  PHE   5          1HD       PHE   5   3.520  -6.708  -0.254
   37    HD2  PHE   5          2HD       PHE   5   3.954  -4.756   3.503
   38    HE1  PHE   5          1HE       PHE   5   1.309  -7.514   0.415
   39    HE2  PHE   5          2HE       PHE   5   1.744  -5.571   4.180
   40    HZ   PHE   5           HZ       PHE   5   0.414  -6.951   2.626
   41    H    SER   6           H        SER   6   6.108  -1.376   0.799
   42    HA   SER   6           HA       SER   6   8.661  -1.983  -0.389
   43    HB2  SER   6          2HB       SER   6   6.684  -0.062  -1.665
   44    HB3  SER   6          1HB       SER   6   8.343  -0.322  -2.194
   45    HG   SER   6           HG       SER   6   7.049  -2.657  -2.018
   46    H    ASN   7           H        ASN   7   9.463   0.634  -0.796
   47    HA   ASN   7           HA       ASN   7   8.830   1.966   1.729
   48    HB2  ASN   7          2HB       ASN   7  11.152   1.003   1.563
   49    HB3  ASN   7          1HB       ASN   7  11.446   2.080   0.206
   50   HD21  ASN   7          1HD2      ASN   7  12.845   1.943   2.658
   51   HD22  ASN   7          2HD2      ASN   7  12.715   3.487   3.423
   52    HA   PRO   8           HA       PRO   8   7.995   3.576   2.444
   53    HB2  PRO   8          2HB       PRO   8   5.886   5.181   2.421
   54    HB3  PRO   8          1HB       PRO   8   7.520   5.854   2.333
   55    HG2  PRO   8          2HG       PRO   8   5.563   5.367   0.120
   56    HG3  PRO   8          1HG       PRO   8   6.542   6.810   0.442
   57    HD2  PRO   8          2HD       PRO   8   7.246   4.890  -1.366
   58    HD3  PRO   8          1HD       PRO   8   8.420   5.898  -0.496
   59    HA   PRO   9           HA       PRO   9   4.684   0.633   1.918
   60    HB2  PRO   9          2HB       PRO   9   3.417   0.863   4.349
   61    HB3  PRO   9          1HB       PRO   9   4.901  -0.061   4.108
   62    HG2  PRO   9          2HG       PRO   9   4.535   2.672   5.243
   63    HG3  PRO   9          1HG       PRO   9   5.677   1.405   5.714
   64    HD2  PRO   9          2HD       PRO   9   6.363   3.568   4.203
   65    HD3  PRO   9          1HD       PRO   9   7.189   2.002   4.097
   66    H    ILE  10           H        ILE  10   3.391   1.449   0.422
   67    HA   ILE  10           HA       ILE  10   1.534   3.631   0.992
   68    HB   ILE  10           HB       ILE  10   2.075   2.083  -1.563
   69   HG12  ILE  10          2HG1      ILE  10   2.928   4.885  -0.780
   70   HG13  ILE  10          1HG1      ILE  10   3.978   3.476  -0.814
   71   HG21  ILE  10          1HG2      ILE  10   0.379   4.538  -1.120
   72   HG22  ILE  10          2HG2      ILE  10  -0.189   2.930  -1.565
   73   HG23  ILE  10          3HG2      ILE  10   0.802   3.860  -2.690
   74   HD11  ILE  10          1HD1      ILE  10   3.636   3.292  -3.227
   75   HD12  ILE  10          2HD1      ILE  10   4.301   4.861  -2.773
   76   HD13  ILE  10          3HD1      ILE  10   2.592   4.713  -3.183
   77    H    ALA  11           H        PRG  11  -0.589   3.194   1.504
   78    HA   ALA  11           HA       PRG  11  -1.492   0.509   0.837
   79    HB1  ALA  11          1HB       PRG  11  -2.711   0.287   2.919
   80    HB2  ALA  11          2HB       PRG  11  -2.168   1.810   3.522
   81    H    PHE  12           H        PHE  12  -3.562   0.246   0.341
   82    HA   PHE  12           HA       PHE  12  -4.882   2.690  -0.532
   83    HB2  PHE  12          2HB       PHE  12  -5.296  -0.187  -1.354
   84    HB3  PHE  12          1HB       PHE  12  -6.246   1.159  -1.953
   85    HD1  PHE  12          1HD       PHE  12  -4.609   3.164  -2.868
   86    HD2  PHE  12          2HD       PHE  12  -3.720  -1.001  -2.794
   87    HE1  PHE  12          1HE       PHE  12  -3.034   3.461  -4.719
   88    HE2  PHE  12          2HE       PHE  12  -2.144  -0.701  -4.639
   89    HZ   PHE  12           HZ       PHE  12  -1.793   1.532  -5.607
   90    HA   PRO  13           HA       PRO  13  -7.876   2.228   2.786
   91    HB2  PRO  13          2HB       PRO  13  -9.677   3.621   0.876
   92    HB3  PRO  13          1HB       PRO  13  -9.249   4.060   2.533
   93    HG2  PRO  13          2HG       PRO  13  -8.227   5.424   0.515
   94    HG3  PRO  13          1HG       PRO  13  -7.205   4.978   1.893
   95    HD2  PRO  13          2HD       PRO  13  -7.370   3.712  -0.819
   96    HD3  PRO  13          1HD       PRO  13  -5.948   4.128   0.169
   97    H    ASN  14           H        ASN  14  -8.234   0.895  -0.303
   98    HA   ASN  14           HA       ASN  14 -10.774  -0.401   0.286
   99    HB2  ASN  14          2HB       ASN  14 -10.624  -1.334  -2.008
  100    HB3  ASN  14          1HB       ASN  14 -10.520   0.420  -1.984
  101   HD21  ASN  14          1HD2      ASN  14  -8.856  -2.539  -2.641
  102   HD22  ASN  14          2HD2      ASN  14  -7.508  -1.827  -3.440
  103    H1   WMH 101          1HG       AZH   3  -1.957  -2.293   3.859
  104    H2   WMH 101          2HG       AZH   3  -2.021  -1.404   2.410
  105    H5   WMH 101           HD       PRG  11   0.489   2.021   4.170
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -7.412  -0.836   1.081
    2    HA2  GLY   1          2HA       GLY   1  -6.917  -2.641   2.563
    3    HA3  GLY   1          1HA       GLY   1  -8.032  -3.641   1.649
    4    H    LYS   2           H        LYS   2  -6.143  -1.804  -0.451
    5    HA   LYS   2           HA       LYS   2  -4.521  -4.150  -1.008
    6    HB2  LYS   2          2HB       LYS   2  -5.649  -2.901  -2.865
    7    HB3  LYS   2          1HB       LYS   2  -4.631  -1.520  -2.504
    8    HG2  LYS   2          2HG       LYS   2  -3.724  -2.697  -4.409
    9    HG3  LYS   2          1HG       LYS   2  -2.632  -2.886  -3.036
   10    HD2  LYS   2          2HD       LYS   2  -3.510  -5.119  -2.616
   11    HD3  LYS   2          1HD       LYS   2  -4.685  -4.924  -3.913
   12    HE2  LYS   2          2HE       LYS   2  -2.822  -6.277  -4.678
   13    HE3  LYS   2          1HE       LYS   2  -2.838  -4.741  -5.534
   14    HZ1  LYS   2          1HZ       LYS   2  -1.061  -5.420  -3.243
   15    HZ2  LYS   2          2HZ       LYS   2  -1.046  -3.960  -4.128
   16    HZ3  LYS   2          3HZ       LYS   2  -0.620  -5.394  -4.863
   17    H    ALA   3           H        AZH   3  -2.565  -4.336  -0.230
   18    HA   ALA   3           HA       AZH   3  -1.090  -1.928   0.504
   19    HB1  ALA   3          1HB       AZH   3  -0.151  -3.641   2.341
   20    HB2  ALA   3          2HB       AZH   3  -1.790  -4.254   2.180
   21    H    LEU   4           H        LEU   4   0.871  -1.757  -0.156
   22    HA   LEU   4           HA       LEU   4   2.334  -4.179  -0.749
   23    HB2  LEU   4          2HB       LEU   4   3.532  -3.080  -2.614
   24    HB3  LEU   4          1HB       LEU   4   1.831  -3.265  -2.946
   25    HG   LEU   4           HG       LEU   4   2.971  -0.625  -2.023
   26   HD11  LEU   4          1HD1      LEU   4   3.125  -0.013  -4.388
   27   HD12  LEU   4          2HD1      LEU   4   2.673  -1.653  -4.851
   28   HD13  LEU   4          3HD1      LEU   4   4.201  -1.359  -4.022
   29   HD21  LEU   4          1HD2      LEU   4   0.537  -0.891  -1.939
   30   HD22  LEU   4          2HD2      LEU   4   0.533  -1.405  -3.625
   31   HD23  LEU   4          3HD2      LEU   4   1.004   0.242  -3.208
   32    H    PHE   5           H        PHE   5   4.087  -4.324   0.341
   33    HA   PHE   5           HA       PHE   5   4.746  -2.104   2.029
   34    HB2  PHE   5          2HB       PHE   5   5.683  -4.974   2.115
   35    HB3  PHE   5          1HB       PHE   5   6.158  -3.738   3.274
   36    HD1  PHE   5          1HD       PHE   5   3.420  -5.883   2.107
   37    HD2  PHE   5          2HD       PHE   5   4.589  -2.913   4.922
   38    HE1  PHE   5          1HE       PHE   5   1.411  -6.355   3.427
   39    HE2  PHE   5          2HE       PHE   5   2.582  -3.384   6.252
   40    HZ   PHE   5           HZ       PHE   5   0.983  -5.107   5.509
   41    H    SER   6           H        SER   6   5.426  -1.065   0.033
   42    HA   SER   6           HA       SER   6   8.105  -1.568  -0.865
   43    HB2  SER   6          2HB       SER   6   7.483   0.613  -2.099
   44    HB3  SER   6          1HB       SER   6   6.547  -0.833  -2.495
   45    HG   SER   6           HG       SER   6   5.792   1.413  -0.943
   46    H    ASN   7           H        ASN   7   9.051   1.081  -0.991
   47    HA   ASN   7           HA       ASN   7   8.790   2.103   1.725
   48    HB2  ASN   7          2HB       ASN   7  10.931   0.929   1.582
   49    HB3  ASN   7          1HB       ASN   7  11.375   1.876   0.164
   50   HD21  ASN   7          1HD2      ASN   7  13.147   2.781   1.097
   51   HD22  ASN   7          2HD2      ASN   7  13.066   3.955   2.358
   52    HA   PRO   8           HA       PRO   8   7.870   3.675   2.619
   53    HB2  PRO   8          2HB       PRO   8   5.625   5.150   2.374
   54    HB3  PRO   8          1HB       PRO   8   7.183   5.897   2.744
   55    HG2  PRO   8          2HG       PRO   8   5.801   5.626   0.095
   56    HG3  PRO   8          1HG       PRO   8   6.534   7.071   0.819
   57    HD2  PRO   8          2HD       PRO   8   7.851   5.635  -1.006
   58    HD3  PRO   8          1HD       PRO   8   8.693   6.350   0.382
   59    HA   PRO   9           HA       PRO   9   4.981   0.520   1.300
   60    HB2  PRO   9          2HB       PRO   9   3.551   0.216   3.627
   61    HB3  PRO   9          1HB       PRO   9   5.149  -0.493   3.375
   62    HG2  PRO   9          2HG       PRO   9   4.386   1.973   4.861
   63    HG3  PRO   9          1HG       PRO   9   5.620   0.761   5.248
   64    HD2  PRO   9          2HD       PRO   9   6.200   3.181   4.150
   65    HD3  PRO   9          1HD       PRO   9   7.180   1.729   3.863
   66    H    ILE  10           H        ILE  10   3.194   0.814   0.139
   67    HA   ILE  10           HA       ILE  10   1.586   3.183   0.749
   68    HB   ILE  10           HB       ILE  10   1.762   1.630  -1.853
   69   HG12  ILE  10          2HG1      ILE  10   3.018   4.297  -1.134
   70   HG13  ILE  10          1HG1      ILE  10   3.890   2.777  -1.274
   71   HG21  ILE  10          1HG2      ILE  10   0.486   4.300  -1.209
   72   HG22  ILE  10          2HG2      ILE  10  -0.372   2.800  -1.565
   73   HG23  ILE  10          3HG2      ILE  10   0.594   3.580  -2.817
   74   HD11  ILE  10          1HD1      ILE  10   4.182   4.155  -3.252
   75   HD12  ILE  10          2HD1      ILE  10   2.438   4.194  -3.499
   76   HD13  ILE  10          3HD1      ILE  10   3.316   2.673  -3.649
   77    H    ALA  11           H        PRG  11  -0.283   2.761   1.744
   78    HA   ALA  11           HA       PRG  11  -1.594   0.310   0.917
   79    HB1  ALA  11          1HB       PRG  11  -2.672   0.111   3.084
   80    HB2  ALA  11          2HB       PRG  11  -1.862   1.508   3.712
   81    H    PHE  12           H        PHE  12  -3.557   0.338   0.356
   82    HA   PHE  12           HA       PHE  12  -4.701   2.977  -0.117
   83    HB2  PHE  12          2HB       PHE  12  -5.239   0.315  -1.451
   84    HB3  PHE  12          1HB       PHE  12  -6.070   1.811  -1.843
   85    HD1  PHE  12          1HD       PHE  12  -5.037   3.478  -3.191
   86    HD2  PHE  12          2HD       PHE  12  -2.867   0.017  -2.021
   87    HE1  PHE  12          1HE       PHE  12  -3.300   4.013  -4.842
   88    HE2  PHE  12          2HE       PHE  12  -1.126   0.549  -3.671
   89    HZ   PHE  12           HZ       PHE  12  -1.339   2.549  -5.080
   90    HA   PRO  13           HA       PRO  13  -7.833   2.410   2.962
   91    HB2  PRO  13          2HB       PRO  13  -9.662   3.517   0.881
   92    HB3  PRO  13          1HB       PRO  13  -9.430   4.023   2.558
   93    HG2  PRO  13          2HG       PRO  13  -8.385   5.454   0.601
   94    HG3  PRO  13          1HG       PRO  13  -7.459   5.157   2.082
   95    HD2  PRO  13          2HD       PRO  13  -7.176   3.901  -0.611
   96    HD3  PRO  13          1HD       PRO  13  -5.930   4.378   0.563
   97    H    ASN  14           H        ASN  14  -8.242   1.097  -0.221
   98    HA   ASN  14           HA       ASN  14 -10.662  -0.353   0.376
   99    HB2  ASN  14          2HB       ASN  14 -10.541  -1.237  -1.846
  100    HB3  ASN  14          1HB       ASN  14 -10.108   0.460  -1.933
  101   HD21  ASN  14          1HD2      ASN  14  -9.507  -1.644  -3.813
  102   HD22  ASN  14          2HD2      ASN  14  -7.787  -1.701  -3.947
  103    H1   WMH 101          1HG       AZH   3  -2.290  -2.553   3.777
  104    H2   WMH 101          2HG       AZH   3  -2.262  -1.658   2.311
  105    H5   WMH 101           HD       PRG  11   0.884   1.278   4.062
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -7.854  -1.058   1.216
    2    HA2  GLY   1          2HA       GLY   1  -7.445  -3.046   2.411
    3    HA3  GLY   1          1HA       GLY   1  -8.490  -3.904   1.295
    4    H    LYS   2           H        LYS   2  -5.788  -1.776   0.484
    5    HA   LYS   2           HA       LYS   2  -4.366  -4.145  -0.460
    6    HB2  LYS   2          2HB       LYS   2  -5.592  -3.234  -2.374
    7    HB3  LYS   2          1HB       LYS   2  -4.852  -1.663  -2.117
    8    HG2  LYS   2          2HG       LYS   2  -2.644  -2.672  -2.547
    9    HG3  LYS   2          1HG       LYS   2  -3.448  -4.202  -2.902
   10    HD2  LYS   2          2HD       LYS   2  -4.689  -3.117  -4.719
   11    HD3  LYS   2          1HD       LYS   2  -3.866  -1.598  -4.361
   12    HE2  LYS   2          2HE       LYS   2  -1.712  -2.649  -4.841
   13    HE3  LYS   2          1HE       LYS   2  -2.535  -4.161  -5.208
   14    HZ1  LYS   2          1HZ       LYS   2  -2.902  -1.613  -6.679
   15    HZ2  LYS   2          2HZ       LYS   2  -3.638  -3.080  -7.045
   16    HZ3  LYS   2          3HZ       LYS   2  -1.978  -2.915  -7.196
   17    H    ALA   3           H        AZH   3  -2.570  -4.118   0.671
   18    HA   ALA   3           HA       AZH   3  -1.106  -1.609   0.871
   19    HB1  ALA   3          1HB       AZH   3   0.059  -3.075   2.794
   20    HB2  ALA   3          2HB       AZH   3  -1.552  -3.787   2.827
   21    H    LEU   4           H        LEU   4   0.834  -1.448   0.100
   22    HA   LEU   4           HA       LEU   4   1.917  -3.828  -1.197
   23    HB2  LEU   4          2HB       LEU   4   2.381  -0.899  -1.787
   24    HB3  LEU   4          1HB       LEU   4   3.274  -2.191  -2.542
   25    HG   LEU   4           HG       LEU   4   1.699  -1.461  -4.116
   26   HD11  LEU   4          1HD1      LEU   4   0.287  -3.380  -4.536
   27   HD12  LEU   4          2HD1      LEU   4   0.563  -3.950  -2.894
   28   HD13  LEU   4          3HD1      LEU   4   1.908  -3.860  -4.030
   29   HD21  LEU   4          1HD2      LEU   4  -0.463  -1.735  -2.032
   30   HD22  LEU   4          2HD2      LEU   4  -0.701  -1.251  -3.717
   31   HD23  LEU   4          3HD2      LEU   4   0.220  -0.223  -2.621
   32    H    PHE   5           H        PHE   5   3.864  -4.511  -0.713
   33    HA   PHE   5           HA       PHE   5   5.128  -3.292   1.558
   34    HB2  PHE   5          2HB       PHE   5   5.819  -5.853   0.097
   35    HB3  PHE   5          1HB       PHE   5   6.563  -5.297   1.598
   36    HD1  PHE   5          1HD       PHE   5   4.913  -4.810   3.562
   37    HD2  PHE   5          2HD       PHE   5   3.986  -7.265   0.220
   38    HE1  PHE   5          1HE       PHE   5   3.123  -5.882   4.843
   39    HE2  PHE   5          2HE       PHE   5   2.191  -8.333   1.505
   40    HZ   PHE   5           HZ       PHE   5   1.757  -7.646   3.816
   41    H    SER   6           H        SER   6   6.000  -1.511   0.921
   42    HA   SER   6           HA       SER   6   8.248  -1.570  -0.877
   43    HB2  SER   6          2HB       SER   6   5.876   0.294  -1.200
   44    HB3  SER   6          1HB       SER   6   7.346   0.310  -2.168
   45    HG   SER   6           HG       SER   6   6.422  -2.138  -2.252
   46    H    ASN   7           H        ASN   7   9.195   0.826  -0.737
   47    HA   ASN   7           HA       ASN   7   8.583   2.016   1.851
   48    HB2  ASN   7          2HB       ASN   7  10.601   0.602   2.158
   49    HB3  ASN   7          1HB       ASN   7  11.392   1.458   0.840
   50   HD21  ASN   7          1HD2      ASN   7  10.319   1.640   4.143
   51   HD22  ASN   7          2HD2      ASN   7  11.177   3.076   4.547
   52    HA   PRO   8           HA       PRO   8   8.115   3.889   2.693
   53    HB2  PRO   8          2HB       PRO   8   6.130   5.683   2.211
   54    HB3  PRO   8          1HB       PRO   8   7.772   6.179   2.637
   55    HG2  PRO   8          2HG       PRO   8   6.487   6.012  -0.061
   56    HG3  PRO   8          1HG       PRO   8   7.498   7.303   0.614
   57    HD2  PRO   8          2HD       PRO   8   8.487   5.458  -1.082
   58    HD3  PRO   8          1HD       PRO   8   9.457   6.141   0.235
   59    HA   PRO   9           HA       PRO   9   4.912   1.007   1.739
   60    HB2  PRO   9          2HB       PRO   9   3.310   1.257   3.934
   61    HB3  PRO   9          1HB       PRO   9   4.866   0.423   3.956
   62    HG2  PRO   9          2HG       PRO   9   4.204   3.205   4.819
   63    HG3  PRO   9          1HG       PRO   9   5.234   1.999   5.612
   64    HD2  PRO   9          2HD       PRO   9   6.249   4.019   4.145
   65    HD3  PRO   9          1HD       PRO   9   7.020   2.422   4.213
   66    H    ILE  10           H        ILE  10   3.315   1.175   0.345
   67    HA   ILE  10           HA       ILE  10   1.595   3.548   0.397
   68    HB   ILE  10           HB       ILE  10   2.018   1.568  -1.869
   69   HG12  ILE  10          2HG1      ILE  10   3.146   4.364  -1.550
   70   HG13  ILE  10          1HG1      ILE  10   4.069   2.876  -1.379
   71   HG21  ILE  10          1HG2      ILE  10   0.873   3.264  -3.244
   72   HG22  ILE  10          2HG2      ILE  10   0.630   4.256  -1.807
   73   HG23  ILE  10          3HG2      ILE  10  -0.158   2.683  -1.933
   74   HD11  ILE  10          1HD1      ILE  10   2.714   3.846  -3.885
   75   HD12  ILE  10          2HD1      ILE  10   3.621   2.342  -3.724
   76   HD13  ILE  10          3HD1      ILE  10   4.446   3.891  -3.549
   77    H    ALA  11           H        PRG  11  -0.300   3.150   1.390
   78    HA   ALA  11           HA       PRG  11  -1.480   0.528   0.914
   79    HB1  ALA  11          1HB       PRG  11  -2.556   0.608   3.079
   80    HB2  ALA  11          2HB       PRG  11  -1.795   2.099   3.505
   81    H    PHE  12           H        PHE  12  -3.505   0.408   0.481
   82    HA   PHE  12           HA       PHE  12  -4.907   2.907  -0.119
   83    HB2  PHE  12          2HB       PHE  12  -5.102   0.180  -1.403
   84    HB3  PHE  12          1HB       PHE  12  -6.162   1.526  -1.780
   85    HD1  PHE  12          1HD       PHE  12  -5.453   3.284  -3.208
   86    HD2  PHE  12          2HD       PHE  12  -2.726   0.236  -2.059
   87    HE1  PHE  12          1HE       PHE  12  -3.887   4.036  -4.945
   88    HE2  PHE  12          2HE       PHE  12  -1.154   0.990  -3.801
   89    HZ   PHE  12           HZ       PHE  12  -1.736   2.886  -5.240
   90    HA   PRO  13           HA       PRO  13  -7.697   1.598   3.044
   91    HB2  PRO  13          2HB       PRO  13  -9.830   3.170   2.386
   92    HB3  PRO  13          1HB       PRO  13  -8.398   3.762   3.233
   93    HG2  PRO  13          2HG       PRO  13  -9.104   3.947   0.345
   94    HG3  PRO  13          1HG       PRO  13  -8.373   5.170   1.395
   95    HD2  PRO  13          2HD       PRO  13  -6.917   3.702  -0.349
   96    HD3  PRO  13          1HD       PRO  13  -6.258   4.254   1.202
   97    H    ASN  14           H        ASN  14  -8.218   1.038  -0.262
   98    HA   ASN  14           HA       ASN  14 -10.713  -0.364   0.072
   99    HB2  ASN  14          2HB       ASN  14 -10.462  -1.075  -2.293
  100    HB3  ASN  14          1HB       ASN  14 -10.288   0.661  -2.112
  101   HD21  ASN  14          1HD2      ASN  14  -8.667  -2.329  -2.878
  102   HD22  ASN  14          2HD2      ASN  14  -7.272  -1.605  -3.567
  103    H1   WMH 101          1HG       AZH   3  -2.083  -1.919   4.235
  104    H2   WMH 101          2HG       AZH   3  -2.126  -1.213   2.683
  105    H5   WMH 101           HD       PRG  11   0.952   2.019   3.840
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -7.888  -1.169   1.086
    2    HA2  GLY   1          2HA       GLY   1  -7.403  -3.218   2.135
    3    HA3  GLY   1          1HA       GLY   1  -8.519  -4.023   1.041
    4    H    LYS   2           H        LYS   2  -5.651  -1.949   0.702
    5    HA   LYS   2           HA       LYS   2  -4.293  -4.078  -0.707
    6    HB2  LYS   2          2HB       LYS   2  -5.585  -2.907  -2.449
    7    HB3  LYS   2          1HB       LYS   2  -4.863  -1.388  -1.964
    8    HG2  LYS   2          2HG       LYS   2  -2.680  -2.176  -2.679
    9    HG3  LYS   2          1HG       LYS   2  -3.384  -3.735  -3.127
   10    HD2  LYS   2          2HD       LYS   2  -4.854  -2.608  -4.712
   11    HD3  LYS   2          1HD       LYS   2  -4.135  -1.056  -4.287
   12    HE2  LYS   2          2HE       LYS   2  -1.978  -1.821  -5.104
   13    HE3  LYS   2          1HE       LYS   2  -2.666  -3.401  -5.477
   14    HZ1  LYS   2          1HZ       LYS   2  -2.530  -2.028  -7.437
   15    HZ2  LYS   2          2HZ       LYS   2  -3.475  -0.828  -6.737
   16    HZ3  LYS   2          3HZ       LYS   2  -4.135  -2.342  -7.079
   17    H    ALA   3           H        AZH   3  -2.132  -3.963  -0.300
   18    HA   ALA   3           HA       AZH   3  -0.983  -1.483   0.625
   19    HB1  ALA   3          1HB       AZH   3   0.226  -3.115   2.382
   20    HB2  ALA   3          2HB       AZH   3  -1.343  -3.905   2.273
   21    H    LEU   4           H        LEU   4   0.922  -1.078  -0.043
   22    HA   LEU   4           HA       LEU   4   2.379  -3.132  -1.498
   23    HB2  LEU   4          2HB       LEU   4   1.815  -1.101  -2.717
   24    HB3  LEU   4          1HB       LEU   4   2.566  -0.130  -1.463
   25    HG   LEU   4           HG       LEU   4   4.761  -1.098  -2.073
   26   HD11  LEU   4          1HD1      LEU   4   4.018  -3.215  -2.991
   27   HD12  LEU   4          2HD1      LEU   4   4.992  -2.331  -4.166
   28   HD13  LEU   4          3HD1      LEU   4   3.235  -2.378  -4.331
   29   HD21  LEU   4          1HD2      LEU   4   4.998   0.120  -4.188
   30   HD22  LEU   4          2HD2      LEU   4   4.064   1.031  -3.003
   31   HD23  LEU   4          3HD2      LEU   4   3.243   0.204  -4.326
   32    H    PHE   5           H        PHE   5   3.815  -4.053  -0.308
   33    HA   PHE   5           HA       PHE   5   4.909  -2.706   2.020
   34    HB2  PHE   5          2HB       PHE   5   5.281  -5.575   1.110
   35    HB3  PHE   5          1HB       PHE   5   5.802  -4.904   2.652
   36    HD1  PHE   5          1HD       PHE   5   4.008  -3.989   4.213
   37    HD2  PHE   5          2HD       PHE   5   3.129  -6.472   0.871
   38    HE1  PHE   5          1HE       PHE   5   1.830  -4.540   5.193
   39    HE2  PHE   5          2HE       PHE   5   0.950  -7.024   1.847
   40    HZ   PHE   5           HZ       PHE   5   0.292  -6.061   4.011
   41    H    SER   6           H        SER   6   6.172  -1.247   1.056
   42    HA   SER   6           HA       SER   6   8.741  -2.129   0.117
   43    HB2  SER   6          2HB       SER   6   6.915  -0.389  -1.584
   44    HB3  SER   6          1HB       SER   6   8.601  -0.746  -1.944
   45    HG   SER   6           HG       SER   6   7.157  -2.973  -1.472
   46    H    ASN   7           H        ASN   7   9.635   0.376  -0.686
   47    HA   ASN   7           HA       ASN   7   8.986   2.076   1.593
   48    HB2  ASN   7          2HB       ASN   7  11.628   1.747   0.151
   49    HB3  ASN   7          1HB       ASN   7  11.310   3.021   1.318
   50   HD21  ASN   7          1HD2      ASN   7   9.759   1.314   3.112
   51   HD22  ASN   7          2HD2      ASN   7  10.884   0.245   3.848
   52    HA   PRO   8           HA       PRO   8   8.063   3.667   2.078
   53    HB2  PRO   8          2HB       PRO   8   5.975   5.282   1.829
   54    HB3  PRO   8          1HB       PRO   8   7.621   5.918   1.719
   55    HG2  PRO   8          2HG       PRO   8   5.670   5.327  -0.462
   56    HG3  PRO   8          1HG       PRO   8   6.781   6.695  -0.298
   57    HD2  PRO   8          2HD       PRO   8   7.240   4.422  -1.832
   58    HD3  PRO   8          1HD       PRO   8   8.489   5.552  -1.280
   59    HA   PRO   9           HA       PRO   9   4.748   0.688   1.810
   60    HB2  PRO   9          2HB       PRO   9   3.563   1.038   4.252
   61    HB3  PRO   9          1HB       PRO   9   5.079   0.161   4.040
   62    HG2  PRO   9          2HG       PRO   9   4.620   2.955   4.978
   63    HG3  PRO   9          1HG       PRO   9   5.816   1.770   5.527
   64    HD2  PRO   9          2HD       PRO   9   6.396   3.834   3.830
   65    HD3  PRO   9          1HD       PRO   9   7.289   2.302   3.855
   66    H    ILE  10           H        ILE  10   3.343   1.362   0.329
   67    HA   ILE  10           HA       ILE  10   1.554   3.598   0.940
   68    HB   ILE  10           HB       ILE  10   2.101   2.225  -1.715
   69   HG12  ILE  10          2HG1      ILE  10   2.985   4.939  -0.693
   70   HG13  ILE  10          1HG1      ILE  10   4.019   3.524  -0.829
   71   HG21  ILE  10          1HG2      ILE  10  -0.163   3.161  -1.599
   72   HG22  ILE  10          2HG2      ILE  10   0.847   4.082  -2.710
   73   HG23  ILE  10          3HG2      ILE  10   0.502   4.719  -1.102
   74   HD11  ILE  10          1HD1      ILE  10   3.719   3.552  -3.256
   75   HD12  ILE  10          2HD1      ILE  10   4.389   5.069  -2.658
   76   HD13  ILE  10          3HD1      ILE  10   2.685   4.973  -3.104
   77    H    ALA  11           H        PRG  11  -0.413   3.113   1.671
   78    HA   ALA  11           HA       PRG  11  -1.529   0.544   0.857
   79    HB1  ALA  11          1HB       PRG  11  -2.628   0.335   2.984
   80    HB2  ALA  11          2HB       PRG  11  -1.990   1.820   3.592
   81    H    PHE  12           H        PHE  12  -3.742   0.447   0.662
   82    HA   PHE  12           HA       PHE  12  -5.042   3.023   0.151
   83    HB2  PHE  12          2HB       PHE  12  -5.309   0.456  -1.440
   84    HB3  PHE  12          1HB       PHE  12  -6.192   1.939  -1.743
   85    HD1  PHE  12          1HD       PHE  12  -5.163   3.787  -2.884
   86    HD2  PHE  12          2HD       PHE  12  -2.914   0.288  -1.974
   87    HE1  PHE  12          1HE       PHE  12  -3.392   4.528  -4.409
   88    HE2  PHE  12          2HE       PHE  12  -1.137   1.029  -3.498
   89    HZ   PHE  12           HZ       PHE  12  -1.373   3.151  -4.719
   90    HA   PRO  13           HA       PRO  13  -7.838   1.380   3.154
   91    HB2  PRO  13          2HB       PRO  13  -9.950   3.053   2.727
   92    HB3  PRO  13          1HB       PRO  13  -8.494   3.502   3.617
   93    HG2  PRO  13          2HG       PRO  13  -9.255   4.116   0.796
   94    HG3  PRO  13          1HG       PRO  13  -8.435   5.136   1.985
   95    HD2  PRO  13          2HD       PRO  13  -7.132   3.851  -0.022
   96    HD3  PRO  13          1HD       PRO  13  -6.383   4.220   1.542
   97    H    ASN  14           H        ASN  14  -8.260   0.832  -0.055
   98    HA   ASN  14           HA       ASN  14 -10.884  -0.422   0.230
   99    HB2  ASN  14          2HB       ASN  14 -10.738  -0.966  -2.167
  100    HB3  ASN  14          1HB       ASN  14 -10.471   0.749  -1.901
  101   HD21  ASN  14          1HD2      ASN  14  -9.105  -2.224  -2.993
  102   HD22  ASN  14          2HD2      ASN  14  -7.646  -1.561  -3.633
  103    H1   WMH 101          1HG       AZH   3  -1.978  -2.281   3.912
  104    H2   WMH 101          2HG       AZH   3  -2.087  -1.396   2.457
  105    H5   WMH 101           HD       PRG  11   0.734   1.894   4.030
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -7.593  -1.018   1.063
    2    HA2  GLY   1          2HA       GLY   1  -7.219  -2.880   2.556
    3    HA3  GLY   1          1HA       GLY   1  -8.061  -3.906   1.405
    4    H    LYS   2           H        LYS   2  -6.394  -2.171  -0.637
    5    HA   LYS   2           HA       LYS   2  -4.363  -4.150  -0.962
    6    HB2  LYS   2          2HB       LYS   2  -5.009  -1.599  -2.423
    7    HB3  LYS   2          1HB       LYS   2  -3.603  -2.540  -2.850
    8    HG2  LYS   2          2HG       LYS   2  -6.443  -3.530  -2.920
    9    HG3  LYS   2          1HG       LYS   2  -5.524  -2.953  -4.309
   10    HD2  LYS   2          2HD       LYS   2  -3.858  -4.746  -3.903
   11    HD3  LYS   2          1HD       LYS   2  -4.869  -5.347  -2.590
   12    HE2  LYS   2          2HE       LYS   2  -5.704  -5.127  -5.482
   13    HE3  LYS   2          1HE       LYS   2  -5.194  -6.603  -4.670
   14    HZ1  LYS   2          1HZ       LYS   2  -7.599  -6.446  -4.775
   15    HZ2  LYS   2          2HZ       LYS   2  -7.588  -4.986  -3.957
   16    HZ3  LYS   2          3HZ       LYS   2  -7.092  -6.375  -3.173
   17    H    ALA   3           H        AZH   3  -2.306  -4.110  -0.364
   18    HA   ALA   3           HA       AZH   3  -1.167  -1.645   0.666
   19    HB1  ALA   3          1HB       AZH   3  -0.089  -3.367   2.428
   20    HB2  ALA   3          2HB       AZH   3  -1.644  -4.149   2.178
   21    H    LEU   4           H        LEU   4   0.824  -1.273   0.134
   22    HA   LEU   4           HA       LEU   4   2.283  -3.415  -1.222
   23    HB2  LEU   4          2HB       LEU   4   1.479  -1.654  -2.730
   24    HB3  LEU   4          1HB       LEU   4   2.313  -0.460  -1.746
   25    HG   LEU   4           HG       LEU   4   4.472  -1.507  -2.368
   26   HD11  LEU   4          1HD1      LEU   4   4.525  -3.080  -4.251
   27   HD12  LEU   4          2HD1      LEU   4   2.766  -3.178  -4.203
   28   HD13  LEU   4          3HD1      LEU   4   3.722  -3.751  -2.836
   29   HD21  LEU   4          1HD2      LEU   4   4.512  -0.668  -4.671
   30   HD22  LEU   4          2HD2      LEU   4   3.646   0.429  -3.594
   31   HD23  LEU   4          3HD2      LEU   4   2.750  -0.630  -4.684
   32    H    PHE   5           H        PHE   5   3.713  -4.033   0.131
   33    HA   PHE   5           HA       PHE   5   4.918  -2.188   2.012
   34    HB2  PHE   5          2HB       PHE   5   5.244  -5.179   1.761
   35    HB3  PHE   5          1HB       PHE   5   6.003  -4.193   3.003
   36    HD1  PHE   5          1HD       PHE   5   2.990  -5.877   1.937
   37    HD2  PHE   5          2HD       PHE   5   4.585  -3.059   4.695
   38    HE1  PHE   5          1HE       PHE   5   1.004  -6.151   3.365
   39    HE2  PHE   5          2HE       PHE   5   2.609  -3.330   6.120
   40    HZ   PHE   5           HZ       PHE   5   0.816  -4.877   5.459
   41    H    SER   6           H        SER   6   5.999  -0.990   0.542
   42    HA   SER   6           HA       SER   6   8.559  -2.085  -0.274
   43    HB2  SER   6          2HB       SER   6   6.759  -0.267  -1.913
   44    HB3  SER   6          1HB       SER   6   8.369  -0.807  -2.390
   45    HG   SER   6           HG       SER   6   7.009  -2.936  -1.727
   46    H    ASN   7           H        ASN   7   9.546   0.442  -1.195
   47    HA   ASN   7           HA       ASN   7   9.119   1.977   1.212
   48    HB2  ASN   7          2HB       ASN   7  11.356   3.037   0.868
   49    HB3  ASN   7          1HB       ASN   7  11.449   1.306   1.110
   50   HD21  ASN   7          1HD2      ASN   7  13.252   3.270  -0.149
   51   HD22  ASN   7          2HD2      ASN   7  13.615   2.651  -1.708
   52    HA   PRO   8           HA       PRO   8   8.292   3.407   2.057
   53    HB2  PRO   8          2HB       PRO   8   6.327   5.160   2.402
   54    HB3  PRO   8          1HB       PRO   8   7.982   5.717   2.134
   55    HG2  PRO   8          2HG       PRO   8   5.688   5.603   0.220
   56    HG3  PRO   8          1HG       PRO   8   6.912   6.866   0.423
   57    HD2  PRO   8          2HD       PRO   8   6.974   4.885  -1.518
   58    HD3  PRO   8          1HD       PRO   8   8.377   5.815  -0.972
   59    HA   PRO   9           HA       PRO   9   4.838   0.559   1.843
   60    HB2  PRO   9          2HB       PRO   9   3.894   0.724   4.421
   61    HB3  PRO   9          1HB       PRO   9   5.306  -0.226   3.954
   62    HG2  PRO   9          2HG       PRO   9   5.172   2.492   5.185
   63    HG3  PRO   9          1HG       PRO   9   6.303   1.168   5.514
   64    HD2  PRO   9          2HD       PRO   9   6.967   3.299   3.997
   65    HD3  PRO   9          1HD       PRO   9   7.616   1.675   3.696
   66    H    ILE  10           H        ILE  10   3.111   1.140   0.751
   67    HA   ILE  10           HA       ILE  10   1.485   3.333   1.786
   68    HB   ILE  10           HB       ILE  10   2.550   4.020  -0.293
   69   HG12  ILE  10          2HG1      ILE  10  -0.369   3.376  -0.772
   70   HG13  ILE  10          1HG1      ILE  10   0.234   4.767   0.117
   71   HG21  ILE  10          1HG2      ILE  10   2.159   2.859  -2.423
   72   HG22  ILE  10          2HG2      ILE  10   1.317   1.579  -1.555
   73   HG23  ILE  10          3HG2      ILE  10   3.035   1.853  -1.264
   74   HD11  ILE  10          1HD1      ILE  10  -0.455   5.360  -2.134
   75   HD12  ILE  10          2HD1      ILE  10   0.701   4.207  -2.802
   76   HD13  ILE  10          3HD1      ILE  10   1.275   5.618  -1.911
   77    H    ALA  11           H        PRG  11  -0.622   2.947   2.117
   78    HA   ALA  11           HA       PRG  11  -1.657   0.424   1.105
   79    HB1  ALA  11          1HB       PRG  11  -2.945   0.084   3.127
   80    HB2  ALA  11          2HB       PRG  11  -2.316   1.503   3.889
   81    H    PHE  12           H        PHE  12  -3.716   0.377   0.555
   82    HA   PHE  12           HA       PHE  12  -4.835   3.005  -0.045
   83    HB2  PHE  12          2HB       PHE  12  -5.262   0.366  -1.466
   84    HB3  PHE  12          1HB       PHE  12  -5.897   1.925  -1.967
   85    HD1  PHE  12          1HD       PHE  12  -4.359   3.646  -2.844
   86    HD2  PHE  12          2HD       PHE  12  -3.032  -0.294  -1.971
   87    HE1  PHE  12          1HE       PHE  12  -2.348   4.019  -4.219
   88    HE2  PHE  12          2HE       PHE  12  -1.027   0.066  -3.341
   89    HZ   PHE  12           HZ       PHE  12  -0.681   2.221  -4.467
   90    HA   PRO  13           HA       PRO  13  -8.198   2.149   2.708
   91    HB2  PRO  13          2HB       PRO  13 -10.218   3.440   1.367
   92    HB3  PRO  13          1HB       PRO  13  -9.007   4.249   2.365
   93    HG2  PRO  13          2HG       PRO  13  -9.056   3.859  -0.607
   94    HG3  PRO  13          1HG       PRO  13  -8.660   5.321   0.315
   95    HD2  PRO  13          2HD       PRO  13  -6.726   3.821  -0.712
   96    HD3  PRO  13          1HD       PRO  13  -6.552   4.514   0.913
   97    H    ASN  14           H        ASN  14  -8.071   0.701  -0.302
   98    HA   ASN  14           HA       ASN  14 -10.682  -0.623  -0.045
   99    HB2  ASN  14          2HB       ASN  14 -10.289  -1.545  -2.260
  100    HB3  ASN  14          1HB       ASN  14  -9.983   0.187  -2.304
  101   HD21  ASN  14          1HD2      ASN  14  -9.008  -1.954  -4.057
  102   HD22  ASN  14          2HD2      ASN  14  -7.302  -1.810  -4.024
  103    H1   WMH 101          1HG       AZH   3  -2.417  -2.605   3.844
  104    H2   WMH 101          2HG       AZH   3  -2.377  -1.614   2.452
  105    H5   WMH 101           HD       PRG  11   0.371   1.469   4.512
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -7.696  -1.090   0.679
    2    HA2  GLY   1          2HA       GLY   1  -7.763  -3.042   2.079
    3    HA3  GLY   1          1HA       GLY   1  -8.489  -3.917   0.743
    4    H    LYS   2           H        LYS   2  -6.065  -2.025  -0.498
    5    HA   LYS   2           HA       LYS   2  -4.302  -4.354  -0.492
    6    HB2  LYS   2          2HB       LYS   2  -4.504  -2.067  -2.452
    7    HB3  LYS   2          1HB       LYS   2  -3.283  -3.325  -2.534
    8    HG2  LYS   2          2HG       LYS   2  -6.260  -3.788  -2.719
    9    HG3  LYS   2          1HG       LYS   2  -5.158  -3.698  -4.093
   10    HD2  LYS   2          2HD       LYS   2  -3.927  -5.643  -3.217
   11    HD3  LYS   2          1HD       LYS   2  -5.039  -5.726  -1.853
   12    HE2  LYS   2          2HE       LYS   2  -5.832  -6.013  -4.750
   13    HE3  LYS   2          1HE       LYS   2  -5.570  -7.354  -3.639
   14    HZ1  LYS   2          1HZ       LYS   2  -7.387  -6.467  -2.259
   15    HZ2  LYS   2          2HZ       LYS   2  -7.882  -6.891  -3.788
   16    HZ3  LYS   2          3HZ       LYS   2  -7.699  -5.268  -3.407
   17    H    ALA   3           H        AZH   3  -2.165  -4.185  -0.018
   18    HA   ALA   3           HA       AZH   3  -1.231  -1.623   1.014
   19    HB1  ALA   3          1HB       AZH   3   0.134  -3.292   2.610
   20    HB2  ALA   3          2HB       AZH   3  -1.320  -4.255   2.375
   21    H    LEU   4           H        LEU   4   0.692  -0.966   0.435
   22    HA   LEU   4           HA       LEU   4   2.203  -2.749  -1.296
   23    HB2  LEU   4          2HB       LEU   4   1.553  -0.609  -2.243
   24    HB3  LEU   4          1HB       LEU   4   2.342   0.226  -0.909
   25    HG   LEU   4           HG       LEU   4   4.504  -0.756  -1.686
   26   HD11  LEU   4          1HD1      LEU   4   2.883  -1.561  -4.090
   27   HD12  LEU   4          2HD1      LEU   4   3.682  -2.642  -2.946
   28   HD13  LEU   4          3HD1      LEU   4   4.642  -1.590  -3.983
   29   HD21  LEU   4          1HD2      LEU   4   4.788   0.804  -3.548
   30   HD22  LEU   4          2HD2      LEU   4   3.906   1.537  -2.209
   31   HD23  LEU   4          3HD2      LEU   4   3.038   0.998  -3.646
   32    H    PHE   5           H        PHE   5   3.519  -3.822  -0.105
   33    HA   PHE   5           HA       PHE   5   4.934  -2.467   2.054
   34    HB2  PHE   5          2HB       PHE   5   3.794  -4.761   2.402
   35    HB3  PHE   5          1HB       PHE   5   5.112  -5.421   1.440
   36    HD1  PHE   5          1HD       PHE   5   4.181  -3.879   4.621
   37    HD2  PHE   5          2HD       PHE   5   7.352  -5.546   2.340
   38    HE1  PHE   5          1HE       PHE   5   5.556  -4.011   6.646
   39    HE2  PHE   5          2HE       PHE   5   8.739  -5.683   4.372
   40    HZ   PHE   5           HZ       PHE   5   7.839  -4.917   6.526
   41    H    SER   6           H        SER   6   6.122  -1.249   0.721
   42    HA   SER   6           HA       SER   6   8.598  -2.296  -0.227
   43    HB2  SER   6          2HB       SER   6   6.646  -0.913  -2.135
   44    HB3  SER   6          1HB       SER   6   8.319  -1.307  -2.506
   45    HG   SER   6           HG       SER   6   6.939  -3.448  -1.614
   46    H    ASN   7           H        ASN   7   9.416   0.128  -1.455
   47    HA   ASN   7           HA       ASN   7   8.748   1.992   0.686
   48    HB2  ASN   7          2HB       ASN   7  10.884   3.144   0.330
   49    HB3  ASN   7          1HB       ASN   7  11.181   1.437   0.587
   50   HD21  ASN   7          1HD2      ASN   7  11.904   0.209  -1.180
   51   HD22  ASN   7          2HD2      ASN   7  12.604   0.940  -2.581
   52    HA   PRO   8           HA       PRO   8   8.272   3.796   1.257
   53    HB2  PRO   8          2HB       PRO   8   6.233   5.511   1.465
   54    HB3  PRO   8          1HB       PRO   8   7.803   6.039   0.851
   55    HG2  PRO   8          2HG       PRO   8   5.288   5.453  -0.631
   56    HG3  PRO   8          1HG       PRO   8   6.515   6.688  -0.946
   57    HD2  PRO   8          2HD       PRO   8   6.288   4.225  -2.255
   58    HD3  PRO   8          1HD       PRO   8   7.707   5.281  -2.276
   59    HA   PRO   9           HA       PRO   9   5.003   0.889   2.181
   60    HB2  PRO   9          2HB       PRO   9   4.795   1.336   4.891
   61    HB3  PRO   9          1HB       PRO   9   6.031   0.312   4.160
   62    HG2  PRO   9          2HG       PRO   9   6.223   3.108   5.150
   63    HG3  PRO   9          1HG       PRO   9   7.429   1.813   5.205
   64    HD2  PRO   9          2HD       PRO   9   7.494   3.874   3.410
   65    HD3  PRO   9          1HD       PRO   9   8.189   2.273   3.089
   66    H    ILE  10           H        ILE  10   3.035   1.351   1.567
   67    HA   ILE  10           HA       ILE  10   1.483   3.331   2.979
   68    HB   ILE  10           HB       ILE  10   2.428   4.641   1.157
   69   HG12  ILE  10          2HG1      ILE  10  -0.451   3.930   0.520
   70   HG13  ILE  10          1HG1      ILE  10   0.070   5.084   1.738
   71   HG21  ILE  10          1HG2      ILE  10   2.088   4.084  -1.210
   72   HG22  ILE  10          2HG2      ILE  10   1.386   2.540  -0.729
   73   HG23  ILE  10          3HG2      ILE  10   3.075   2.891  -0.363
   74   HD11  ILE  10          1HD1      ILE  10  -0.705   6.200  -0.279
   75   HD12  ILE  10          2HD1      ILE  10   0.499   5.336  -1.234
   76   HD13  ILE  10          3HD1      ILE  10   1.012   6.505  -0.015
   77    H    ALA  11           H        PRG  11  -0.678   2.814   3.038
   78    HA   ALA  11           HA       PRG  11  -1.419   0.373   1.630
   79    HB1  ALA  11          1HB       PRG  11  -2.903  -0.177   3.488
   80    HB2  ALA  11          2HB       PRG  11  -2.395   1.199   4.403
   81    H    PHE  12           H        PHE  12  -3.627   0.249   1.004
   82    HA   PHE  12           HA       PHE  12  -4.618   2.934   0.481
   83    HB2  PHE  12          2HB       PHE  12  -4.765   0.523  -1.341
   84    HB3  PHE  12          1HB       PHE  12  -5.346   2.142  -1.713
   85    HD1  PHE  12          1HD       PHE  12  -3.718   3.998  -2.004
   86    HD2  PHE  12          2HD       PHE  12  -2.477  -0.047  -1.558
   87    HE1  PHE  12          1HE       PHE  12  -1.497   4.586  -2.876
   88    HE2  PHE  12          2HE       PHE  12  -0.253   0.535  -2.434
   89    HZ   PHE  12           HZ       PHE  12   0.236   2.865  -3.092
   90    HA   PRO  13           HA       PRO  13  -8.376   1.771   2.528
   91    HB2  PRO  13          2HB       PRO  13  -9.738   3.436   0.494
   92    HB3  PRO  13          1HB       PRO  13  -9.771   3.565   2.256
   93    HG2  PRO  13          2HG       PRO  13  -8.394   5.305   0.809
   94    HG3  PRO  13          1HG       PRO  13  -7.744   4.688   2.338
   95    HD2  PRO  13          2HD       PRO  13  -7.028   3.934  -0.465
   96    HD3  PRO  13          1HD       PRO  13  -5.993   4.182   0.958
   97    H    ASN  14           H        ASN  14  -7.819   0.903  -0.699
   98    HA   ASN  14           HA       ASN  14 -10.387  -0.373  -1.100
   99    HB2  ASN  14          2HB       ASN  14  -9.524  -1.174  -3.213
  100    HB3  ASN  14          1HB       ASN  14  -9.120   0.523  -3.062
  101   HD21  ASN  14          1HD2      ASN  14  -7.919  -1.396  -4.782
  102   HD22  ASN  14          2HD2      ASN  14  -6.256  -1.498  -4.352
  103    H1   WMH 101          1HG       AZH   3  -2.300  -2.908   4.080
  104    H2   WMH 101          2HG       AZH   3  -2.259  -1.779   2.810
  105    H5   WMH 101           HD       PRG  11   0.209   1.227   5.285
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -7.436  -1.024   0.873
    2    HA2  GLY   1          2HA       GLY   1  -7.119  -2.855   2.488
    3    HA3  GLY   1          1HA       GLY   1  -7.965  -3.883   1.346
    4    H    LYS   2           H        LYS   2  -6.305  -2.100  -0.669
    5    HA   LYS   2           HA       LYS   2  -4.293  -4.080  -1.109
    6    HB2  LYS   2          2HB       LYS   2  -5.355  -2.986  -2.987
    7    HB3  LYS   2          1HB       LYS   2  -4.849  -1.412  -2.419
    8    HG2  LYS   2          2HG       LYS   2  -3.506  -2.082  -4.293
    9    HG3  LYS   2          1HG       LYS   2  -2.508  -2.039  -2.843
   10    HD2  LYS   2          2HD       LYS   2  -2.654  -4.453  -2.646
   11    HD3  LYS   2          1HD       LYS   2  -3.727  -4.524  -4.046
   12    HE2  LYS   2          2HE       LYS   2  -0.876  -3.537  -4.043
   13    HE3  LYS   2          1HE       LYS   2  -1.420  -5.100  -4.641
   14    HZ1  LYS   2          1HZ       LYS   2  -2.769  -3.924  -6.300
   15    HZ2  LYS   2          2HZ       LYS   2  -1.144  -3.542  -6.460
   16    HZ3  LYS   2          3HZ       LYS   2  -2.189  -2.445  -5.744
   17    H    ALA   3           H        AZH   3  -2.274  -4.110  -0.314
   18    HA   ALA   3           HA       AZH   3  -1.131  -1.610   0.659
   19    HB1  ALA   3          1HB       AZH   3  -0.023  -3.319   2.403
   20    HB2  ALA   3          2HB       AZH   3  -1.563  -4.129   2.141
   21    H    LEU   4           H        LEU   4   0.849  -1.152   0.106
   22    HA   LEU   4           HA       LEU   4   2.384  -3.212  -1.295
   23    HB2  LEU   4          2HB       LEU   4   2.632  -0.204  -1.381
   24    HB3  LEU   4          1HB       LEU   4   3.664  -1.326  -2.237
   25    HG   LEU   4           HG       LEU   4   0.735  -0.881  -2.713
   26   HD11  LEU   4          1HD1      LEU   4   3.163  -0.132  -4.327
   27   HD12  LEU   4          2HD1      LEU   4   2.079   0.973  -3.484
   28   HD13  LEU   4          3HD1      LEU   4   1.495   0.050  -4.867
   29   HD21  LEU   4          1HD2      LEU   4   1.321  -3.198  -3.170
   30   HD22  LEU   4          2HD2      LEU   4   2.693  -2.679  -4.146
   31   HD23  LEU   4          3HD2      LEU   4   1.051  -2.338  -4.686
   32    H    PHE   5           H        PHE   5   3.713  -4.115   0.112
   33    HA   PHE   5           HA       PHE   5   4.898  -2.478   2.176
   34    HB2  PHE   5          2HB       PHE   5   5.202  -5.438   1.602
   35    HB3  PHE   5          1HB       PHE   5   5.935  -4.598   2.967
   36    HD1  PHE   5          1HD       PHE   5   4.513  -3.674   4.751
   37    HD2  PHE   5          2HD       PHE   5   2.902  -6.059   1.620
   38    HE1  PHE   5          1HE       PHE   5   2.480  -4.033   6.074
   39    HE2  PHE   5          2HE       PHE   5   0.864  -6.419   2.937
   40    HZ   PHE   5           HZ       PHE   5   0.651  -5.404   5.171
   41    H    SER   6           H        SER   6   5.912  -1.138   0.846
   42    HA   SER   6           HA       SER   6   8.353  -2.079  -0.418
   43    HB2  SER   6          2HB       SER   6   6.196  -0.272  -1.553
   44    HB3  SER   6          1HB       SER   6   7.764  -0.552  -2.326
   45    HG   SER   6           HG       SER   6   6.624  -2.069  -3.241
   46    H    ASN   7           H        ASN   7   9.033   0.615  -1.306
   47    HA   ASN   7           HA       ASN   7   9.059   2.063   1.234
   48    HB2  ASN   7          2HB       ASN   7  11.315   1.189   0.829
   49    HB3  ASN   7          1HB       ASN   7  11.300   1.868  -0.794
   50   HD21  ASN   7          1HD2      ASN   7  11.586   2.586   2.607
   51   HD22  ASN   7          2HD2      ASN   7  12.181   4.193   2.403
   52    HA   PRO   8           HA       PRO   8   8.057   3.473   2.013
   53    HB2  PRO   8          2HB       PRO   8   5.933   5.054   2.244
   54    HB3  PRO   8          1HB       PRO   8   7.548   5.750   2.051
   55    HG2  PRO   8          2HG       PRO   8   5.389   5.382   0.012
   56    HG3  PRO   8          1HG       PRO   8   6.441   6.782   0.277
   57    HD2  PRO   8          2HD       PRO   8   6.872   4.854  -1.644
   58    HD3  PRO   8          1HD       PRO   8   8.143   5.878  -0.953
   59    HA   PRO   9           HA       PRO   9   4.774   0.470   1.570
   60    HB2  PRO   9          2HB       PRO   9   4.015   0.197   4.156
   61    HB3  PRO   9          1HB       PRO   9   5.521  -0.483   3.533
   62    HG2  PRO   9          2HG       PRO   9   5.087   2.040   5.086
   63    HG3  PRO   9          1HG       PRO   9   6.383   0.844   5.244
   64    HD2  PRO   9          2HD       PRO   9   6.691   3.203   3.928
   65    HD3  PRO   9          1HD       PRO   9   7.581   1.730   3.509
   66    H    ILE  10           H        ILE  10   3.297   1.668   0.444
   67    HA   ILE  10           HA       ILE  10   1.512   3.416   1.919
   68    HB   ILE  10           HB       ILE  10   2.408   4.403  -0.096
   69   HG12  ILE  10          2HG1      ILE  10  -0.481   3.632  -0.601
   70   HG13  ILE  10          1HG1      ILE  10   0.046   4.938   0.448
   71   HG21  ILE  10          1HG2      ILE  10   3.019   2.435  -1.336
   72   HG22  ILE  10          2HG2      ILE  10   2.014   3.479  -2.341
   73   HG23  ILE  10          3HG2      ILE  10   1.321   2.038  -1.599
   74   HD11  ILE  10          1HD1      ILE  10   0.467   4.774  -2.531
   75   HD12  ILE  10          2HD1      ILE  10   1.000   6.095  -1.491
   76   HD13  ILE  10          3HD1      ILE  10  -0.722   5.777  -1.700
   77    H    ALA  11           H        PRG  11  -0.560   2.955   2.303
   78    HA   ALA  11           HA       PRG  11  -1.566   0.483   1.140
   79    HB1  ALA  11          1HB       PRG  11  -2.913   0.093   3.125
   80    HB2  ALA  11          2HB       PRG  11  -2.299   1.495   3.929
   81    H    PHE  12           H        PHE  12  -3.569   0.416   0.465
   82    HA   PHE  12           HA       PHE  12  -4.784   3.015  -0.068
   83    HB2  PHE  12          2HB       PHE  12  -5.041   0.364  -1.520
   84    HB3  PHE  12          1HB       PHE  12  -5.857   1.847  -1.989
   85    HD1  PHE  12          1HD       PHE  12  -2.521   0.259  -1.653
   86    HD2  PHE  12          2HD       PHE  12  -4.760   3.473  -3.316
   87    HE1  PHE  12          1HE       PHE  12  -0.580   0.893  -3.024
   88    HE2  PHE  12          2HE       PHE  12  -2.820   4.110  -4.690
   89    HZ   PHE  12           HZ       PHE  12  -0.727   2.823  -4.543
   90    HA   PRO  13           HA       PRO  13  -7.963   2.070   2.753
   91    HB2  PRO  13          2HB       PRO  13 -10.107   3.290   1.524
   92    HB3  PRO  13          1HB       PRO  13  -8.888   4.118   2.497
   93    HG2  PRO  13          2HG       PRO  13  -9.084   3.839  -0.465
   94    HG3  PRO  13          1HG       PRO  13  -8.620   5.257   0.496
   95    HD2  PRO  13          2HD       PRO  13  -6.791   3.743  -0.748
   96    HD3  PRO  13          1HD       PRO  13  -6.465   4.462   0.844
   97    H    ASN  14           H        ASN  14  -8.211   0.845  -0.460
   98    HA   ASN  14           HA       ASN  14 -10.669  -0.572   0.100
   99    HB2  ASN  14          2HB       ASN  14 -10.522  -1.556  -2.081
  100    HB3  ASN  14          1HB       ASN  14 -10.093   0.139  -2.238
  101   HD21  ASN  14          1HD2      ASN  14  -9.511  -2.182  -3.909
  102   HD22  ASN  14          2HD2      ASN  14  -7.804  -2.240  -4.089
  103    H1   WMH 101          1HG       AZH   3  -2.400  -2.602   3.779
  104    H2   WMH 101          2HG       AZH   3  -2.310  -1.582   2.413
  105    H5   WMH 101           HD       PRG  11   0.358   1.436   4.665
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -7.462  -1.131   1.004
    2    HA2  GLY   1          2HA       GLY   1  -7.123  -3.098   2.449
    3    HA3  GLY   1          1HA       GLY   1  -7.968  -4.022   1.223
    4    H    LYS   2           H        LYS   2  -6.248  -2.055  -0.621
    5    HA   LYS   2           HA       LYS   2  -4.220  -4.081  -0.957
    6    HB2  LYS   2          2HB       LYS   2  -5.513  -3.054  -2.872
    7    HB3  LYS   2          1HB       LYS   2  -4.654  -1.558  -2.588
    8    HG2  LYS   2          2HG       LYS   2  -3.309  -4.164  -3.336
    9    HG3  LYS   2          1HG       LYS   2  -3.814  -2.957  -4.508
   10    HD2  LYS   2          2HD       LYS   2  -2.289  -1.328  -3.432
   11    HD3  LYS   2          1HD       LYS   2  -1.779  -2.580  -2.300
   12    HE2  LYS   2          2HE       LYS   2  -0.144  -2.393  -4.071
   13    HE3  LYS   2          1HE       LYS   2  -1.000  -3.927  -4.206
   14    HZ1  LYS   2          1HZ       LYS   2  -0.712  -2.768  -6.361
   15    HZ2  LYS   2          2HZ       LYS   2  -1.686  -1.513  -5.786
   16    HZ3  LYS   2          3HZ       LYS   2  -2.325  -3.047  -5.975
   17    H    ALA   3           H        AZH   3  -2.315  -3.987  -0.095
   18    HA   ALA   3           HA       AZH   3  -1.091  -1.407   0.505
   19    HB1  ALA   3          1HB       AZH   3   0.117  -2.943   2.347
   20    HB2  ALA   3          2HB       AZH   3  -1.440  -3.755   2.278
   21    H    LEU   4           H        LEU   4   0.805  -1.081  -0.193
   22    HA   LEU   4           HA       LEU   4   2.248  -3.247  -1.519
   23    HB2  LEU   4          2HB       LEU   4   1.595  -1.288  -2.877
   24    HB3  LEU   4          1HB       LEU   4   2.472  -0.256  -1.761
   25    HG   LEU   4           HG       LEU   4   4.581  -1.349  -2.436
   26   HD11  LEU   4          1HD1      LEU   4   4.602  -2.770  -4.436
   27   HD12  LEU   4          2HD1      LEU   4   2.837  -2.773  -4.434
   28   HD13  LEU   4          3HD1      LEU   4   3.721  -3.508  -3.099
   29   HD21  LEU   4          1HD2      LEU   4   4.710  -0.330  -4.661
   30   HD22  LEU   4          2HD2      LEU   4   3.867   0.713  -3.517
   31   HD23  LEU   4          3HD2      LEU   4   2.952  -0.212  -4.705
   32    H    PHE   5           H        PHE   5   3.666  -4.027  -0.237
   33    HA   PHE   5           HA       PHE   5   4.724  -2.488   1.983
   34    HB2  PHE   5          2HB       PHE   5   5.107  -5.407   1.297
   35    HB3  PHE   5          1HB       PHE   5   5.601  -4.620   2.791
   36    HD1  PHE   5          1HD       PHE   5   3.955  -3.946   4.441
   37    HD2  PHE   5          2HD       PHE   5   2.793  -5.982   0.900
   38    HE1  PHE   5          1HE       PHE   5   1.766  -4.459   5.450
   39    HE2  PHE   5          2HE       PHE   5   0.608  -6.490   1.897
   40    HZ   PHE   5           HZ       PHE   5   0.093  -5.728   4.177
   41    H    SER   6           H        SER   6   6.209  -1.162   1.254
   42    HA   SER   6           HA       SER   6   8.719  -2.174   0.298
   43    HB2  SER   6          2HB       SER   6   7.097  -0.191  -1.355
   44    HB3  SER   6          1HB       SER   6   8.734  -0.736  -1.710
   45    HG   SER   6           HG       SER   6   7.201  -2.864  -1.405
   46    H    ASN   7           H        ASN   7   9.865   0.274  -0.326
   47    HA   ASN   7           HA       ASN   7   9.185   2.005   1.926
   48    HB2  ASN   7          2HB       ASN   7  11.875   1.548   0.592
   49    HB3  ASN   7          1HB       ASN   7  11.569   2.833   1.748
   50   HD21  ASN   7          1HD2      ASN   7  11.328   2.306   3.925
   51   HD22  ASN   7          2HD2      ASN   7  11.776   0.768   4.550
   52    HA   PRO   8           HA       PRO   8   8.122   3.545   2.262
   53    HB2  PRO   8          2HB       PRO   8   6.138   5.267   1.782
   54    HB3  PRO   8          1HB       PRO   8   7.802   5.835   1.967
   55    HG2  PRO   8          2HG       PRO   8   6.193   5.447  -0.515
   56    HG3  PRO   8          1HG       PRO   8   7.337   6.738  -0.112
   57    HD2  PRO   8          2HD       PRO   8   7.913   4.522  -1.687
   58    HD3  PRO   8          1HD       PRO   8   9.115   5.541  -0.877
   59    HA   PRO   9           HA       PRO   9   4.801   0.748   1.283
   60    HB2  PRO   9          2HB       PRO   9   3.434   0.718   3.636
   61    HB3  PRO   9          1HB       PRO   9   4.994  -0.078   3.426
   62    HG2  PRO   9          2HG       PRO   9   4.331   2.430   4.829
   63    HG3  PRO   9          1HG       PRO   9   5.662   1.302   5.117
   64    HD2  PRO   9          2HD       PRO   9   5.795   3.772   3.751
   65    HD3  PRO   9          1HD       PRO   9   7.056   2.538   3.814
   66    H    ILE  10           H        ILE  10   3.017   1.012   0.189
   67    HA   ILE  10           HA       ILE  10   1.486   3.500   0.561
   68    HB   ILE  10           HB       ILE  10   1.780   1.790  -1.927
   69   HG12  ILE  10          2HG1      ILE  10   3.859   2.976  -1.474
   70   HG13  ILE  10          1HG1      ILE  10   3.057   3.697  -2.862
   71   HG21  ILE  10          1HG2      ILE  10   0.388   4.430  -1.576
   72   HG22  ILE  10          2HG2      ILE  10  -0.389   2.867  -1.827
   73   HG23  ILE  10          3HG2      ILE  10   0.604   3.572  -3.102
   74   HD11  ILE  10          1HD1      ILE  10   4.011   5.406  -1.438
   75   HD12  ILE  10          2HD1      ILE  10   3.113   4.794  -0.052
   76   HD13  ILE  10          3HD1      ILE  10   2.250   5.517  -1.410
   77    H    ALA  11           H        PRG  11  -0.594   3.240   1.257
   78    HA   ALA  11           HA       PRG  11  -1.801   0.637   0.766
   79    HB1  ALA  11          1HB       PRG  11  -2.774   0.514   2.960
   80    HB2  ALA  11          2HB       PRG  11  -2.104   2.017   3.478
   81    H    PHE  12           H        PHE  12  -3.935   0.575   0.551
   82    HA   PHE  12           HA       PHE  12  -5.285   3.158   0.215
   83    HB2  PHE  12          2HB       PHE  12  -5.694   0.617  -1.397
   84    HB3  PHE  12          1HB       PHE  12  -6.536   2.139  -1.638
   85    HD1  PHE  12          1HD       PHE  12  -3.530   0.242  -2.277
   86    HD2  PHE  12          2HD       PHE  12  -5.314   4.085  -2.563
   87    HE1  PHE  12          1HE       PHE  12  -1.794   0.921  -3.876
   88    HE2  PHE  12          2HE       PHE  12  -3.576   4.774  -4.158
   89    HZ   PHE  12           HZ       PHE  12  -1.813   3.190  -4.820
   90    HA   PRO  13           HA       PRO  13  -8.041   1.580   3.311
   91    HB2  PRO  13          2HB       PRO  13 -10.369   2.842   2.565
   92    HB3  PRO  13          1HB       PRO  13  -9.062   3.627   3.457
   93    HG2  PRO  13          2HG       PRO  13  -9.666   3.695   0.529
   94    HG3  PRO  13          1HG       PRO  13  -9.167   5.016   1.603
   95    HD2  PRO  13          2HD       PRO  13  -7.430   3.826  -0.055
   96    HD3  PRO  13          1HD       PRO  13  -6.938   4.375   1.560
   97    H    ASN  14           H        ASN  14  -8.447   0.948   0.038
   98    HA   ASN  14           HA       ASN  14 -10.767  -0.695   0.267
   99    HB2  ASN  14          2HB       ASN  14 -10.269  -1.436  -2.061
  100    HB3  ASN  14          1HB       ASN  14 -10.347   0.310  -1.898
  101   HD21  ASN  14          1HD2      ASN  14  -9.160   0.655  -3.742
  102   HD22  ASN  14          2HD2      ASN  14  -7.464   0.357  -3.847
  103    H1   WMH 101          1HG       AZH   3  -2.089  -2.079   3.850
  104    H2   WMH 101          2HG       AZH   3  -2.202  -1.222   2.369
  105    H5   WMH 101           HD       PRG  11   0.604   2.101   3.924
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -7.404  -1.206   1.171
    2    HA2  GLY   1          2HA       GLY   1  -6.569  -3.118   2.409
    3    HA3  GLY   1          1HA       GLY   1  -7.537  -4.144   1.357
    4    H    LYS   2           H        LYS   2  -6.279  -1.744  -0.506
    5    HA   LYS   2           HA       LYS   2  -4.361  -3.547  -1.656
    6    HB2  LYS   2          2HB       LYS   2  -5.740  -2.061  -3.091
    7    HB3  LYS   2          1HB       LYS   2  -4.945  -0.668  -2.378
    8    HG2  LYS   2          2HG       LYS   2  -2.827  -1.329  -3.313
    9    HG3  LYS   2          1HG       LYS   2  -3.535  -2.819  -3.935
   10    HD2  LYS   2          2HD       LYS   2  -5.040  -1.490  -5.349
   11    HD3  LYS   2          1HD       LYS   2  -4.272  -0.017  -4.749
   12    HE2  LYS   2          2HE       LYS   2  -2.821  -2.238  -6.174
   13    HE3  LYS   2          1HE       LYS   2  -3.433  -0.791  -6.964
   14    HZ1  LYS   2          1HZ       LYS   2  -1.056  -0.689  -6.383
   15    HZ2  LYS   2          2HZ       LYS   2  -1.438  -0.701  -4.732
   16    HZ3  LYS   2          3HZ       LYS   2  -1.960   0.550  -5.734
   17    H    ALA   3           H        AZH   3  -2.332  -3.723  -1.015
   18    HA   ALA   3           HA       AZH   3  -0.959  -1.440   0.089
   19    HB1  ALA   3          1HB       AZH   3  -0.148  -3.228   1.890
   20    HB2  ALA   3          2HB       AZH   3  -1.791  -3.805   1.626
   21    H    LEU   4           H        LEU   4   1.179  -1.526   0.151
   22    HA   LEU   4           HA       LEU   4   2.510  -3.718  -1.257
   23    HB2  LEU   4          2HB       LEU   4   3.239  -0.780  -1.224
   24    HB3  LEU   4          1HB       LEU   4   4.135  -2.043  -2.030
   25    HG   LEU   4           HG       LEU   4   1.393  -1.043  -2.779
   26   HD11  LEU   4          1HD1      LEU   4   4.069  -0.767  -4.137
   27   HD12  LEU   4          2HD1      LEU   4   3.182   0.515  -3.314
   28   HD13  LEU   4          3HD1      LEU   4   2.525  -0.209  -4.781
   29   HD21  LEU   4          1HD2      LEU   4   1.592  -2.496  -4.732
   30   HD22  LEU   4          2HD2      LEU   4   1.627  -3.436  -3.242
   31   HD23  LEU   4          3HD2      LEU   4   3.125  -3.118  -4.121
   32    H    PHE   5           H        PHE   5   4.436  -4.335  -0.290
   33    HA   PHE   5           HA       PHE   5   4.839  -3.329   2.419
   34    HB2  PHE   5          2HB       PHE   5   6.250  -5.416   2.703
   35    HB3  PHE   5          1HB       PHE   5   4.545  -5.715   2.403
   36    HD1  PHE   5          1HD       PHE   5   3.817  -6.708   0.334
   37    HD2  PHE   5          2HD       PHE   5   7.923  -5.982   1.089
   38    HE1  PHE   5          1HE       PHE   5   4.412  -8.193  -1.544
   39    HE2  PHE   5          2HE       PHE   5   8.540  -7.457  -0.774
   40    HZ   PHE   5           HZ       PHE   5   6.786  -8.564  -2.099
   41    H    SER   6           H        SER   6   5.623  -2.196  -0.185
   42    HA   SER   6           HA       SER   6   8.465  -2.137  -0.326
   43    HB2  SER   6          2HB       SER   6   6.410  -0.237  -1.443
   44    HB3  SER   6          1HB       SER   6   8.077  -0.421  -1.990
   45    HG   SER   6           HG       SER   6   6.984  -2.810  -2.067
   46    H    ASN   7           H        ASN   7   9.453   0.151  -0.310
   47    HA   ASN   7           HA       ASN   7   8.474   1.794   1.901
   48    HB2  ASN   7          2HB       ASN   7  10.442   0.459   2.663
   49    HB3  ASN   7          1HB       ASN   7  11.353   1.067   1.290
   50   HD21  ASN   7          1HD2      ASN   7  12.909   1.924   2.686
   51   HD22  ASN   7          2HD2      ASN   7  12.612   3.383   3.572
   52    HA   PRO   8           HA       PRO   8   8.087   3.835   2.358
   53    HB2  PRO   8          2HB       PRO   8   6.289   5.618   1.422
   54    HB3  PRO   8          1HB       PRO   8   7.949   6.081   1.814
   55    HG2  PRO   8          2HG       PRO   8   6.761   5.414  -0.853
   56    HG3  PRO   8          1HG       PRO   8   7.795   6.785  -0.401
   57    HD2  PRO   8          2HD       PRO   8   8.792   4.606  -1.623
   58    HD3  PRO   8          1HD       PRO   8   9.719   5.496  -0.399
   59    HA   PRO   9           HA       PRO   9   4.629   1.150   1.440
   60    HB2  PRO   9          2HB       PRO   9   3.277   1.370   3.781
   61    HB3  PRO   9          1HB       PRO   9   4.776   0.446   3.642
   62    HG2  PRO   9          2HG       PRO   9   4.340   3.195   4.720
   63    HG3  PRO   9          1HG       PRO   9   5.397   1.909   5.325
   64    HD2  PRO   9          2HD       PRO   9   6.272   4.033   3.830
   65    HD3  PRO   9          1HD       PRO   9   7.083   2.454   3.874
   66    H    ILE  10           H        ILE  10   2.908   1.614   0.241
   67    HA   ILE  10           HA       ILE  10   1.276   3.914   0.944
   68    HB   ILE  10           HB       ILE  10   2.522   4.630  -0.986
   69   HG12  ILE  10          2HG1      ILE  10   0.749   4.963  -2.716
   70   HG13  ILE  10          1HG1      ILE  10  -0.255   3.797  -1.864
   71   HG21  ILE  10          1HG2      ILE  10   1.718   2.087  -2.336
   72   HG22  ILE  10          2HG2      ILE  10   3.335   2.541  -1.798
   73   HG23  ILE  10          3HG2      ILE  10   2.563   3.425  -3.120
   74   HD11  ILE  10          1HD1      ILE  10   0.718   6.423  -0.757
   75   HD12  ILE  10          2HD1      ILE  10  -0.322   5.268   0.079
   76   HD13  ILE  10          3HD1      ILE  10  -0.902   6.091  -1.367
   77    H    ALA  11           H        PRG  11  -0.671   3.359   1.416
   78    HA   ALA  11           HA       PRG  11  -1.772   0.845   0.365
   79    HB1  ALA  11          1HB       PRG  11  -2.811   0.450   2.499
   80    HB2  ALA  11          2HB       PRG  11  -2.110   1.872   3.196
   81    H    PHE  12           H        PHE  12  -3.976   0.759   0.232
   82    HA   PHE  12           HA       PHE  12  -5.378   3.318   0.323
   83    HB2  PHE  12          2HB       PHE  12  -5.741   1.039  -1.656
   84    HB3  PHE  12          1HB       PHE  12  -6.796   2.437  -1.555
   85    HD1  PHE  12          1HD       PHE  12  -3.383   1.319  -2.434
   86    HD2  PHE  12          2HD       PHE  12  -6.183   4.522  -2.513
   87    HE1  PHE  12          1HE       PHE  12  -1.924   2.559  -3.988
   88    HE2  PHE  12          2HE       PHE  12  -4.721   5.757  -4.065
   89    HZ   PHE  12           HZ       PHE  12  -2.597   4.778  -4.796
   90    HA   PRO  13           HA       PRO  13  -7.897   1.549   3.488
   91    HB2  PRO  13          2HB       PRO  13 -10.184   2.794   2.043
   92    HB3  PRO  13          1HB       PRO  13  -9.724   2.922   3.746
   93    HG2  PRO  13          2HG       PRO  13  -9.205   4.922   2.115
   94    HG3  PRO  13          1HG       PRO  13  -7.987   4.407   3.296
   95    HD2  PRO  13          2HD       PRO  13  -8.109   3.885   0.352
   96    HD3  PRO  13          1HD       PRO  13  -6.719   4.287   1.388
   97    H    ASN  14           H        ASN  14  -8.607   0.754   0.217
   98    HA   ASN  14           HA       ASN  14 -10.761  -1.076   0.785
   99    HB2  ASN  14          2HB       ASN  14 -10.680  -1.698  -1.524
  100    HB3  ASN  14          1HB       ASN  14 -10.407   0.038  -1.457
  101   HD21  ASN  14          1HD2      ASN  14  -9.065  -3.032  -2.217
  102   HD22  ASN  14          2HD2      ASN  14  -7.629  -2.473  -2.973
  103    H1   WMH 101          1HG       AZH   3  -2.242  -2.170   3.285
  104    H2   WMH 101          2HG       AZH   3  -2.314  -1.289   1.812
  105    H5   WMH 101           HD       PRG  11   0.689   1.851   3.415
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -7.595  -1.009   0.741
    2    HA2  GLY   1          2HA       GLY   1  -7.316  -2.951   2.180
    3    HA3  GLY   1          1HA       GLY   1  -8.190  -3.887   0.974
    4    H    LYS   2           H        LYS   2  -6.129  -1.772  -0.551
    5    HA   LYS   2           HA       LYS   2  -4.281  -3.941  -1.050
    6    HB2  LYS   2          2HB       LYS   2  -4.752  -1.330  -2.457
    7    HB3  LYS   2          1HB       LYS   2  -3.399  -2.363  -2.863
    8    HG2  LYS   2          2HG       LYS   2  -6.311  -3.110  -3.031
    9    HG3  LYS   2          1HG       LYS   2  -5.269  -2.677  -4.384
   10    HD2  LYS   2          2HD       LYS   2  -4.863  -5.068  -2.561
   11    HD3  LYS   2          1HD       LYS   2  -5.580  -5.114  -4.159
   12    HE2  LYS   2          2HE       LYS   2  -2.762  -4.196  -3.563
   13    HE3  LYS   2          1HE       LYS   2  -3.209  -5.790  -4.150
   14    HZ1  LYS   2          1HZ       LYS   2  -3.712  -3.246  -5.625
   15    HZ2  LYS   2          2HZ       LYS   2  -4.041  -4.793  -6.185
   16    HZ3  LYS   2          3HZ       LYS   2  -2.458  -4.322  -5.921
   17    H    ALA   3           H        AZH   3  -2.337  -4.057  -0.332
   18    HA   ALA   3           HA       AZH   3  -1.075  -1.697   0.805
   19    HB1  ALA   3          1HB       AZH   3  -0.187  -3.569   2.500
   20    HB2  ALA   3          2HB       AZH   3  -1.763  -4.262   2.127
   21    H    LEU   4           H        LEU   4   0.986  -1.481   0.277
   22    HA   LEU   4           HA       LEU   4   2.220  -3.775  -0.995
   23    HB2  LEU   4          2HB       LEU   4   3.521  -2.183  -2.407
   24    HB3  LEU   4          1HB       LEU   4   1.809  -2.179  -2.733
   25    HG   LEU   4           HG       LEU   4   1.763  -0.043  -1.248
   26   HD11  LEU   4          1HD1      LEU   4   4.687  -0.083  -1.964
   27   HD12  LEU   4          2HD1      LEU   4   4.007  -0.197  -0.341
   28   HD13  LEU   4          3HD1      LEU   4   3.808   1.284  -1.279
   29   HD21  LEU   4          1HD2      LEU   4   1.322  -0.056  -3.637
   30   HD22  LEU   4          2HD2      LEU   4   3.052  -0.025  -3.970
   31   HD23  LEU   4          3HD2      LEU   4   2.283   1.354  -3.187
   32    H    PHE   5           H        PHE   5   4.187  -4.360  -0.370
   33    HA   PHE   5           HA       PHE   5   5.213  -2.839   1.869
   34    HB2  PHE   5          2HB       PHE   5   5.399  -5.818   1.383
   35    HB3  PHE   5          1HB       PHE   5   6.223  -4.968   2.692
   36    HD1  PHE   5          1HD       PHE   5   3.191  -6.550   1.682
   37    HD2  PHE   5          2HD       PHE   5   4.784  -3.594   4.293
   38    HE1  PHE   5          1HE       PHE   5   1.155  -6.654   3.042
   39    HE2  PHE   5          2HE       PHE   5   2.759  -3.705   5.668
   40    HZ   PHE   5           HZ       PHE   5   0.933  -5.229   5.039
   41    H    SER   6           H        SER   6   6.328  -1.529   0.812
   42    HA   SER   6           HA       SER   6   8.966  -2.224   0.031
   43    HB2  SER   6          2HB       SER   6   7.056  -0.906  -1.962
   44    HB3  SER   6          1HB       SER   6   8.784  -1.147  -2.212
   45    HG   SER   6           HG       SER   6   7.638  -3.459  -1.546
   46    H    ASN   7           H        ASN   7   9.539   0.384  -0.990
   47    HA   ASN   7           HA       ASN   7   8.366   2.094   1.054
   48    HB2  ASN   7          2HB       ASN   7  10.598   1.514   1.833
   49    HB3  ASN   7          1HB       ASN   7  11.292   1.968   0.279
   50   HD21  ASN   7          1HD2      ASN   7  11.688   4.095  -0.147
   51   HD22  ASN   7          2HD2      ASN   7  11.474   5.353   1.023
   52    HA   PRO   8           HA       PRO   8   8.072   4.165   1.554
   53    HB2  PRO   8          2HB       PRO   8   5.840   5.732   0.507
   54    HB3  PRO   8          1HB       PRO   8   7.218   6.277   1.464
   55    HG2  PRO   8          2HG       PRO   8   6.918   6.958  -1.133
   56    HG3  PRO   8          1HG       PRO   8   8.513   6.700  -0.404
   57    HD2  PRO   8          2HD       PRO   8   6.875   4.824  -2.079
   58    HD3  PRO   8          1HD       PRO   8   8.604   5.218  -2.207
   59    HA   PRO   9           HA       PRO   9   4.834   1.075   1.618
   60    HB2  PRO   9          2HB       PRO   9   4.444   1.000   4.312
   61    HB3  PRO   9          1HB       PRO   9   5.799   0.201   3.510
   62    HG2  PRO   9          2HG       PRO   9   5.729   2.767   5.019
   63    HG3  PRO   9          1HG       PRO   9   7.010   1.550   4.944
   64    HD2  PRO   9          2HD       PRO   9   7.043   3.920   3.548
   65    HD3  PRO   9          1HD       PRO   9   7.926   2.462   3.059
   66    H    ILE  10           H        ILE  10   2.869   1.632   0.977
   67    HA   ILE  10           HA       ILE  10   1.315   3.418   2.652
   68    HB   ILE  10           HB       ILE  10   2.106   4.811   0.820
   69   HG12  ILE  10          2HG1      ILE  10  -0.792   4.045   0.360
   70   HG13  ILE  10          1HG1      ILE  10  -0.217   5.167   1.583
   71   HG21  ILE  10          1HG2      ILE  10   2.690   3.141  -0.806
   72   HG22  ILE  10          2HG2      ILE  10   1.603   4.323  -1.536
   73   HG23  ILE  10          3HG2      ILE  10   0.990   2.740  -1.057
   74   HD11  ILE  10          1HD1      ILE  10  -0.013   5.540  -1.402
   75   HD12  ILE  10          2HD1      ILE  10   0.562   6.677  -0.181
   76   HD13  ILE  10          3HD1      ILE  10  -1.162   6.337  -0.326
   77    H    ALA  11           H        PRG  11  -0.784   2.826   2.886
   78    HA   ALA  11           HA       PRG  11  -1.614   0.466   1.402
   79    HB1  ALA  11          1HB       PRG  11  -3.029  -0.113   3.311
   80    HB2  ALA  11          2HB       PRG  11  -2.438   1.232   4.235
   81    H    PHE  12           H        PHE  12  -3.707   0.404   0.750
   82    HA   PHE  12           HA       PHE  12  -4.822   3.067   0.395
   83    HB2  PHE  12          2HB       PHE  12  -5.062   0.644  -1.405
   84    HB3  PHE  12          1HB       PHE  12  -5.729   2.240  -1.728
   85    HD1  PHE  12          1HD       PHE  12  -2.679   0.214  -1.630
   86    HD2  PHE  12          2HD       PHE  12  -4.283   4.082  -2.404
   87    HE1  PHE  12          1HE       PHE  12  -0.576   0.860  -2.722
   88    HE2  PHE  12          2HE       PHE  12  -2.178   4.733  -3.497
   89    HZ   PHE  12           HZ       PHE  12  -0.322   3.126  -3.656
   90    HA   PRO  13           HA       PRO  13  -8.335   1.858   2.806
   91    HB2  PRO  13          2HB       PRO  13  -9.988   3.412   0.898
   92    HB3  PRO  13          1HB       PRO  13  -9.816   3.592   2.646
   93    HG2  PRO  13          2HG       PRO  13  -8.670   5.338   1.011
   94    HG3  PRO  13          1HG       PRO  13  -7.828   4.775   2.466
   95    HD2  PRO  13          2HD       PRO  13  -7.432   3.953  -0.384
   96    HD3  PRO  13          1HD       PRO  13  -6.233   4.294   0.884
   97    H    ASN  14           H        ASN  14  -8.157   0.954  -0.469
   98    HA   ASN  14           HA       ASN  14 -10.670  -0.481  -0.471
   99    HB2  ASN  14          2HB       ASN  14 -10.042  -1.298  -2.683
  100    HB3  ASN  14          1HB       ASN  14  -9.806   0.438  -2.598
  101   HD21  ASN  14          1HD2      ASN  14  -8.638  -1.490  -4.421
  102   HD22  ASN  14          2HD2      ASN  14  -6.946  -1.349  -4.257
  103    H1   WMH 101          1HG       AZH   3  -2.537  -2.812   3.843
  104    H2   WMH 101          2HG       AZH   3  -2.413  -1.742   2.513
  105    H5   WMH 101           HD       PRG  11   0.279   1.152   4.907
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -7.572  -1.183   1.018
    2    HA2  GLY   1          2HA       GLY   1  -7.114  -3.113   2.328
    3    HA3  GLY   1          1HA       GLY   1  -8.007  -4.073   1.163
    4    H    LYS   2           H        LYS   2  -6.030  -1.904  -0.432
    5    HA   LYS   2           HA       LYS   2  -4.141  -4.052  -0.988
    6    HB2  LYS   2          2HB       LYS   2  -5.230  -2.981  -2.916
    7    HB3  LYS   2          1HB       LYS   2  -4.607  -1.422  -2.410
    8    HG2  LYS   2          2HG       LYS   2  -2.320  -2.242  -2.759
    9    HG3  LYS   2          1HG       LYS   2  -2.982  -3.782  -3.311
   10    HD2  LYS   2          2HD       LYS   2  -4.135  -2.635  -5.137
   11    HD3  LYS   2          1HD       LYS   2  -3.489  -1.097  -4.566
   12    HE2  LYS   2          2HE       LYS   2  -2.193  -1.957  -6.449
   13    HE3  LYS   2          1HE       LYS   2  -1.221  -1.866  -4.983
   14    HZ1  LYS   2          1HZ       LYS   2  -0.866  -3.914  -6.219
   15    HZ2  LYS   2          2HZ       LYS   2  -2.485  -4.358  -6.015
   16    HZ3  LYS   2          3HZ       LYS   2  -1.470  -4.246  -4.699
   17    H    ALA   3           H        AZH   3  -2.151  -3.987  -0.199
   18    HA   ALA   3           HA       AZH   3  -1.132  -1.441   0.800
   19    HB1  ALA   3          1HB       AZH   3   0.026  -3.110   2.542
   20    HB2  ALA   3          2HB       AZH   3  -1.448  -4.020   2.235
   21    H    LEU   4           H        LEU   4   0.865  -0.933   0.261
   22    HA   LEU   4           HA       LEU   4   2.311  -2.897  -1.335
   23    HB2  LEU   4          2HB       LEU   4   2.660   0.091  -1.095
   24    HB3  LEU   4          1HB       LEU   4   3.680  -0.954  -2.057
   25    HG   LEU   4           HG       LEU   4   0.749  -0.479  -2.503
   26   HD11  LEU   4          1HD1      LEU   4   1.486   0.754  -4.500
   27   HD12  LEU   4          2HD1      LEU   4   3.164   0.527  -4.003
   28   HD13  LEU   4          3HD1      LEU   4   2.075   1.497  -3.012
   29   HD21  LEU   4          1HD2      LEU   4   1.424  -2.697  -3.247
   30   HD22  LEU   4          2HD2      LEU   4   2.769  -2.000  -4.148
   31   HD23  LEU   4          3HD2      LEU   4   1.109  -1.656  -4.634
   32    H    PHE   5           H        PHE   5   3.477  -4.084  -0.006
   33    HA   PHE   5           HA       PHE   5   4.924  -2.805   2.118
   34    HB2  PHE   5          2HB       PHE   5   4.838  -5.710   1.238
   35    HB3  PHE   5          1HB       PHE   5   5.754  -5.125   2.625
   36    HD1  PHE   5          1HD       PHE   5   2.584  -6.316   1.498
   37    HD2  PHE   5          2HD       PHE   5   4.466  -3.900   4.440
   38    HE1  PHE   5          1HE       PHE   5   0.581  -6.480   2.909
   39    HE2  PHE   5          2HE       PHE   5   2.469  -4.066   5.865
   40    HZ   PHE   5           HZ       PHE   5   0.526  -5.350   5.102
   41    H    SER   6           H        SER   6   5.919  -1.439   0.756
   42    HA   SER   6           HA       SER   6   8.433  -2.323  -0.317
   43    HB2  SER   6          2HB       SER   6   6.279  -0.897  -1.927
   44    HB3  SER   6          1HB       SER   6   7.959  -1.058  -2.462
   45    HG   SER   6           HG       SER   6   7.404  -3.406  -1.922
   46    H    ASN   7           H        ASN   7   9.366   0.045  -1.209
   47    HA   ASN   7           HA       ASN   7   8.673   1.867   0.947
   48    HB2  ASN   7          2HB       ASN   7  10.860   2.979   0.604
   49    HB3  ASN   7          1HB       ASN   7  11.054   1.275   0.976
   50   HD21  ASN   7          1HD2      ASN   7  11.935  -0.072  -0.595
   51   HD22  ASN   7          2HD2      ASN   7  12.666   0.535  -2.029
   52    HA   PRO   8           HA       PRO   8   8.257   3.662   1.562
   53    HB2  PRO   8          2HB       PRO   8   6.051   5.474   1.342
   54    HB3  PRO   8          1HB       PRO   8   7.732   5.871   1.701
   55    HG2  PRO   8          2HG       PRO   8   6.411   6.618  -0.606
   56    HG3  PRO   8          1HG       PRO   8   8.170   6.490  -0.446
   57    HD2  PRO   8          2HD       PRO   8   6.225   4.528  -1.601
   58    HD3  PRO   8          1HD       PRO   8   7.831   4.996  -2.198
   59    HA   PRO   9           HA       PRO   9   4.874   0.817   2.192
   60    HB2  PRO   9          2HB       PRO   9   4.469   1.287   4.893
   61    HB3  PRO   9          1HB       PRO   9   5.682   0.184   4.238
   62    HG2  PRO   9          2HG       PRO   9   5.996   2.964   5.257
   63    HG3  PRO   9          1HG       PRO   9   7.107   1.596   5.373
   64    HD2  PRO   9          2HD       PRO   9   7.462   3.623   3.615
   65    HD3  PRO   9          1HD       PRO   9   7.987   1.961   3.287
   66    H    ILE  10           H        ILE  10   3.112   1.535   1.197
   67    HA   ILE  10           HA       ILE  10   1.461   3.508   2.575
   68    HB   ILE  10           HB       ILE  10   2.590   4.640   0.706
   69   HG12  ILE  10          2HG1      ILE  10   0.588   5.456  -0.565
   70   HG13  ILE  10          1HG1      ILE  10  -0.353   4.177   0.194
   71   HG21  ILE  10          1HG2      ILE  10   2.183   4.032  -1.632
   72   HG22  ILE  10          2HG2      ILE  10   1.344   2.579  -1.088
   73   HG23  ILE  10          3HG2      ILE  10   3.060   2.785  -0.744
   74   HD11  ILE  10          1HD1      ILE  10   1.044   6.425   1.628
   75   HD12  ILE  10          2HD1      ILE  10   0.078   5.156   2.383
   76   HD13  ILE  10          3HD1      ILE  10  -0.683   6.315   1.297
   77    H    ALA  11           H        PRG  11  -0.704   3.059   2.599
   78    HA   ALA  11           HA       PRG  11  -1.504   0.592   1.254
   79    HB1  ALA  11          1HB       PRG  11  -3.014   0.128   3.094
   80    HB2  ALA  11          2HB       PRG  11  -2.535   1.537   3.970
   81    H    PHE  12           H        PHE  12  -3.674   0.475   0.644
   82    HA   PHE  12           HA       PHE  12  -4.868   3.078   0.035
   83    HB2  PHE  12          2HB       PHE  12  -5.064   0.452  -1.474
   84    HB3  PHE  12          1HB       PHE  12  -5.887   1.934  -1.915
   85    HD1  PHE  12          1HD       PHE  12  -2.654   0.206  -1.793
   86    HD2  PHE  12          2HD       PHE  12  -4.729   3.695  -3.056
   87    HE1  PHE  12          1HE       PHE  12  -0.750   0.813  -3.239
   88    HE2  PHE  12          2HE       PHE  12  -2.837   4.307  -4.493
   89    HZ   PHE  12           HZ       PHE  12  -0.841   2.866  -4.588
   90    HA   PRO  13           HA       PRO  13  -8.210   1.800   2.671
   91    HB2  PRO  13          2HB       PRO  13 -10.254   3.217   1.577
   92    HB3  PRO  13          1HB       PRO  13  -8.970   3.958   2.540
   93    HG2  PRO  13          2HG       PRO  13  -9.211   3.751  -0.441
   94    HG3  PRO  13          1HG       PRO  13  -8.811   5.172   0.537
   95    HD2  PRO  13          2HD       PRO  13  -6.904   3.776  -0.682
   96    HD3  PRO  13          1HD       PRO  13  -6.644   4.428   0.948
   97    H    ASN  14           H        ASN  14  -7.887   0.522  -0.279
   98    HA   ASN  14           HA       ASN  14 -10.527  -0.758  -0.332
   99    HB2  ASN  14          2HB       ASN  14 -10.018  -1.524  -2.557
  100    HB3  ASN  14          1HB       ASN  14  -9.670   0.196  -2.494
  101   HD21  ASN  14          1HD2      ASN  14  -8.686  -1.929  -4.227
  102   HD22  ASN  14          2HD2      ASN  14  -6.967  -1.856  -4.138
  103    H1   WMH 101          1HG       AZH   3  -2.449  -2.574   3.858
  104    H2   WMH 101          2HG       AZH   3  -2.348  -1.521   2.524
  105    H5   WMH 101           HD       PRG  11   0.090   1.584   4.888
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -7.544  -1.258   0.739
    2    HA2  GLY   1          2HA       GLY   1  -6.898  -3.321   1.771
    3    HA3  GLY   1          1HA       GLY   1  -7.884  -4.166   0.583
    4    H    LYS   2           H        LYS   2  -5.466  -1.635   0.172
    5    HA   LYS   2           HA       LYS   2  -3.789  -3.551  -1.255
    6    HB2  LYS   2          2HB       LYS   2  -4.554  -0.795  -2.240
    7    HB3  LYS   2          1HB       LYS   2  -3.205  -1.697  -2.882
    8    HG2  LYS   2          2HG       LYS   2  -6.095  -2.531  -2.973
    9    HG3  LYS   2          1HG       LYS   2  -5.162  -1.860  -4.309
   10    HD2  LYS   2          2HD       LYS   2  -3.658  -3.788  -4.233
   11    HD3  LYS   2          1HD       LYS   2  -4.571  -4.445  -2.874
   12    HE2  LYS   2          2HE       LYS   2  -5.249  -5.555  -4.894
   13    HE3  LYS   2          1HE       LYS   2  -6.571  -4.553  -4.302
   14    HZ1  LYS   2          1HZ       LYS   2  -5.978  -2.877  -5.958
   15    HZ2  LYS   2          2HZ       LYS   2  -6.296  -4.350  -6.700
   16    HZ3  LYS   2          3HZ       LYS   2  -4.707  -3.834  -6.496
   17    H    ALA   3           H        AZH   3  -1.881  -3.601  -0.411
   18    HA   ALA   3           HA       AZH   3  -0.797  -1.178   0.770
   19    HB1  ALA   3          1HB       AZH   3   0.272  -2.999   2.422
   20    HB2  ALA   3          2HB       AZH   3  -1.270  -3.777   2.075
   21    H    LEU   4           H        LEU   4   1.156  -0.677   0.294
   22    HA   LEU   4           HA       LEU   4   2.687  -2.516  -1.332
   23    HB2  LEU   4          2HB       LEU   4   2.518  -0.142  -2.013
   24    HB3  LEU   4          1HB       LEU   4   3.271   0.330  -0.502
   25    HG   LEU   4           HG       LEU   4   5.372  -0.726  -1.194
   26   HD11  LEU   4          1HD1      LEU   4   5.642  -1.596  -3.449
   27   HD12  LEU   4          2HD1      LEU   4   3.920  -1.364  -3.752
   28   HD13  LEU   4          3HD1      LEU   4   4.457  -2.529  -2.541
   29   HD21  LEU   4          1HD2      LEU   4   5.951   0.774  -3.029
   30   HD22  LEU   4          2HD2      LEU   4   4.996   1.604  -1.801
   31   HD23  LEU   4          3HD2      LEU   4   4.241   1.095  -3.313
   32    H    PHE   5           H        PHE   5   3.967  -3.853  -0.407
   33    HA   PHE   5           HA       PHE   5   4.768  -3.498   2.368
   34    HB2  PHE   5          2HB       PHE   5   5.056  -5.896   0.533
   35    HB3  PHE   5          1HB       PHE   5   5.390  -5.873   2.259
   36    HD1  PHE   5          1HD       PHE   5   2.931  -6.443  -0.241
   37    HD2  PHE   5          2HD       PHE   5   3.431  -5.290   3.823
   38    HE1  PHE   5          1HE       PHE   5   0.592  -7.033   0.211
   39    HE2  PHE   5          2HE       PHE   5   1.095  -5.883   4.283
   40    HZ   PHE   5           HZ       PHE   5  -0.334  -6.758   2.478
   41    H    SER   6           H        SER   6   5.940  -1.897   0.388
   42    HA   SER   6           HA       SER   6   8.741  -2.558   0.710
   43    HB2  SER   6          2HB       SER   6   7.499  -1.656  -1.913
   44    HB3  SER   6          1HB       SER   6   9.196  -2.048  -1.631
   45    HG   SER   6           HG       SER   6   7.931  -4.126  -0.828
   46    H    ASN   7           H        ASN   7   9.896  -0.335  -0.192
   47    HA   ASN   7           HA       ASN   7   8.488   1.792   1.162
   48    HB2  ASN   7          2HB       ASN   7  11.308   1.583   0.107
   49    HB3  ASN   7          1HB       ASN   7  10.646   3.094   0.720
   50   HD21  ASN   7          1HD2      ASN   7  10.292   3.311   2.920
   51   HD22  ASN   7          2HD2      ASN   7  10.926   2.181   4.058
   52    HA   PRO   8           HA       PRO   8   7.952   3.614   1.301
   53    HB2  PRO   8          2HB       PRO   8   6.114   5.500   0.766
   54    HB3  PRO   8          1HB       PRO   8   7.843   5.791   0.572
   55    HG2  PRO   8          2HG       PRO   8   5.762   5.410  -1.484
   56    HG3  PRO   8          1HG       PRO   8   7.316   6.244  -1.600
   57    HD2  PRO   8          2HD       PRO   8   6.671   3.597  -2.487
   58    HD3  PRO   8          1HD       PRO   8   8.243   4.411  -2.554
   59    HA   PRO   9           HA       PRO   9   4.408   0.929   1.743
   60    HB2  PRO   9          2HB       PRO   9   3.885   1.389   4.378
   61    HB3  PRO   9          1HB       PRO   9   5.191   0.340   3.820
   62    HG2  PRO   9          2HG       PRO   9   5.304   3.191   4.722
   63    HG3  PRO   9          1HG       PRO   9   6.418   1.865   5.094
   64    HD2  PRO   9          2HD       PRO   9   6.966   3.731   3.241
   65    HD3  PRO   9          1HD       PRO   9   7.507   2.047   3.067
   66    H    ILE  10           H        ILE  10   2.958   2.049   0.464
   67    HA   ILE  10           HA       ILE  10   1.256   3.941   1.879
   68    HB   ILE  10           HB       ILE  10   2.070   4.835  -0.248
   69   HG12  ILE  10          2HG1      ILE  10  -0.852   4.046  -0.481
   70   HG13  ILE  10          1HG1      ILE  10  -0.224   5.412   0.429
   71   HG21  ILE  10          1HG2      ILE  10   1.541   3.798  -2.410
   72   HG22  ILE  10          2HG2      ILE  10   0.883   2.397  -1.563
   73   HG23  ILE  10          3HG2      ILE  10   2.595   2.789  -1.419
   74   HD11  ILE  10          1HD1      ILE  10   0.525   6.454  -1.628
   75   HD12  ILE  10          2HD1      ILE  10  -1.198   6.091  -1.693
   76   HD13  ILE  10          3HD1      ILE  10  -0.046   5.065  -2.548
   77    H    ALA  11           H        PRG  11  -0.784   3.393   2.370
   78    HA   ALA  11           HA       PRG  11  -1.701   0.856   1.277
   79    HB1  ALA  11          1HB       PRG  11  -2.795   0.279   3.367
   80    HB2  ALA  11          2HB       PRG  11  -2.225   1.706   4.168
   81    H    PHE  12           H        PHE  12  -3.698   0.660   0.744
   82    HA   PHE  12           HA       PHE  12  -5.254   3.154   0.530
   83    HB2  PHE  12          2HB       PHE  12  -5.297   0.720  -1.265
   84    HB3  PHE  12          1HB       PHE  12  -6.232   2.182  -1.496
   85    HD1  PHE  12          1HD       PHE  12  -5.269   4.121  -2.487
   86    HD2  PHE  12          2HD       PHE  12  -2.852   0.729  -1.639
   87    HE1  PHE  12          1HE       PHE  12  -3.461   5.048  -3.882
   88    HE2  PHE  12          2HE       PHE  12  -1.057   1.658  -3.023
   89    HZ   PHE  12           HZ       PHE  12  -1.363   3.816  -4.144
   90    HA   PRO  13           HA       PRO  13  -8.162   1.196   3.211
   91    HB2  PRO  13          2HB       PRO  13 -10.438   2.497   2.388
   92    HB3  PRO  13          1HB       PRO  13  -9.234   3.172   3.491
   93    HG2  PRO  13          2HG       PRO  13  -9.558   3.612   0.555
   94    HG3  PRO  13          1HG       PRO  13  -9.181   4.784   1.826
   95    HD2  PRO  13          2HD       PRO  13  -7.277   3.821   0.218
   96    HD3  PRO  13          1HD       PRO  13  -6.957   4.147   1.935
   97    H    ASN  14           H        ASN  14  -8.436   0.894  -0.194
   98    HA   ASN  14           HA       ASN  14 -10.738  -0.843  -0.106
   99    HB2  ASN  14          2HB       ASN  14 -10.505  -1.187  -2.455
  100    HB3  ASN  14          1HB       ASN  14 -10.103   0.496  -2.170
  101   HD21  ASN  14          1HD2      ASN  14  -7.932   1.158  -2.522
  102   HD22  ASN  14          2HD2      ASN  14  -6.817   0.171  -3.381
  103    H1   WMH 101          1HG       AZH   3  -2.018  -2.360   3.856
  104    H2   WMH 101          2HG       AZH   3  -2.104  -1.332   2.484
  105    H5   WMH 101           HD       PRG  11   0.522   1.843   4.611
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -7.641  -1.104   0.850
    2    HA2  GLY   1          2HA       GLY   1  -6.924  -3.068   2.001
    3    HA3  GLY   1          1HA       GLY   1  -8.126  -3.987   1.099
    4    H    LYS   2           H        LYS   2  -5.379  -1.869   0.420
    5    HA   LYS   2           HA       LYS   2  -4.145  -3.963  -1.102
    6    HB2  LYS   2          2HB       LYS   2  -5.522  -2.735  -2.790
    7    HB3  LYS   2          1HB       LYS   2  -4.701  -1.249  -2.350
    8    HG2  LYS   2          2HG       LYS   2  -3.768  -2.131  -4.407
    9    HG3  LYS   2          1HG       LYS   2  -2.562  -2.222  -3.121
   10    HD2  LYS   2          2HD       LYS   2  -3.108  -4.604  -2.794
   11    HD3  LYS   2          1HD       LYS   2  -4.295  -4.503  -4.092
   12    HE2  LYS   2          2HE       LYS   2  -2.226  -5.502  -4.904
   13    HE3  LYS   2          1HE       LYS   2  -2.497  -3.943  -5.676
   14    HZ1  LYS   2          1HZ       LYS   2  -0.882  -2.957  -4.171
   15    HZ2  LYS   2          2HZ       LYS   2  -0.205  -4.220  -5.025
   16    HZ3  LYS   2          3HZ       LYS   2  -0.605  -4.456  -3.418
   17    H    ALA   3           H        AZH   3  -2.345  -4.030   0.009
   18    HA   ALA   3           HA       AZH   3  -1.033  -1.518   0.685
   19    HB1  ALA   3          1HB       AZH   3   0.094  -3.193   2.444
   20    HB2  ALA   3          2HB       AZH   3  -1.481  -3.962   2.266
   21    H    LEU   4           H        LEU   4   0.904  -1.117   0.108
   22    HA   LEU   4           HA       LEU   4   2.333  -3.209  -1.341
   23    HB2  LEU   4          2HB       LEU   4   2.631  -0.193  -1.482
   24    HB3  LEU   4          1HB       LEU   4   3.594  -1.340  -2.376
   25    HG   LEU   4           HG       LEU   4   1.454  -2.023  -3.576
   26   HD11  LEU   4          1HD1      LEU   4  -0.186  -1.149  -2.019
   27   HD12  LEU   4          2HD1      LEU   4  -0.384  -0.397  -3.604
   28   HD13  LEU   4          3HD1      LEU   4   0.396   0.489  -2.296
   29   HD21  LEU   4          1HD2      LEU   4   1.525  -0.101  -5.083
   30   HD22  LEU   4          2HD2      LEU   4   3.141  -0.621  -4.605
   31   HD23  LEU   4          3HD2      LEU   4   2.421   0.812  -3.871
   32    H    PHE   5           H        PHE   5   3.576  -4.140   0.175
   33    HA   PHE   5           HA       PHE   5   4.840  -2.498   2.166
   34    HB2  PHE   5          2HB       PHE   5   4.036  -4.850   2.675
   35    HB3  PHE   5          1HB       PHE   5   5.322  -5.447   1.633
   36    HD1  PHE   5          1HD       PHE   5   7.626  -5.435   2.370
   37    HD2  PHE   5          2HD       PHE   5   4.554  -3.790   4.818
   38    HE1  PHE   5          1HE       PHE   5   9.179  -5.371   4.275
   39    HE2  PHE   5          2HE       PHE   5   6.099  -3.727   6.718
   40    HZ   PHE   5           HZ       PHE   5   8.415  -4.519   6.454
   41    H    SER   6           H        SER   6   6.131  -1.177   1.124
   42    HA   SER   6           HA       SER   6   8.596  -2.217   0.117
   43    HB2  SER   6          2HB       SER   6   7.071  -2.124  -1.890
   44    HB3  SER   6          1HB       SER   6   6.812  -0.411  -1.570
   45    HG   SER   6           HG       SER   6   9.152  -1.745  -2.387
   46    H    ASN   7           H        ASN   7   9.544   0.230  -0.752
   47    HA   ASN   7           HA       ASN   7   8.947   2.052   1.463
   48    HB2  ASN   7          2HB       ASN   7  11.228   1.232   1.706
   49    HB3  ASN   7          1HB       ASN   7  11.573   1.615   0.024
   50   HD21  ASN   7          1HD2      ASN   7  13.293   2.923   0.603
   51   HD22  ASN   7          2HD2      ASN   7  13.083   4.485   1.303
   52    HA   PRO   8           HA       PRO   8   8.100   3.734   1.898
   53    HB2  PRO   8          2HB       PRO   8   5.810   5.255   1.062
   54    HB3  PRO   8          1HB       PRO   8   7.241   5.828   1.916
   55    HG2  PRO   8          2HG       PRO   8   6.579   6.540  -0.663
   56    HG3  PRO   8          1HG       PRO   8   8.218   6.596  -0.000
   57    HD2  PRO   8          2HD       PRO   8   6.943   4.525  -1.739
   58    HD3  PRO   8          1HD       PRO   8   8.597   5.172  -1.784
   59    HA   PRO   9           HA       PRO   9   4.824   0.690   1.661
   60    HB2  PRO   9          2HB       PRO   9   3.867   0.826   4.216
   61    HB3  PRO   9          1HB       PRO   9   5.373   0.004   3.799
   62    HG2  PRO   9          2HG       PRO   9   4.954   2.691   5.011
   63    HG3  PRO   9          1HG       PRO   9   6.231   1.508   5.326
   64    HD2  PRO   9          2HD       PRO   9   6.545   3.747   3.751
   65    HD3  PRO   9          1HD       PRO   9   7.520   2.274   3.603
   66    H    ILE  10           H        ILE  10   3.310   1.487   0.344
   67    HA   ILE  10           HA       ILE  10   1.523   3.602   1.303
   68    HB   ILE  10           HB       ILE  10   1.899   2.490  -1.503
   69   HG12  ILE  10          2HG1      ILE  10   2.828   5.119  -0.315
   70   HG13  ILE  10          1HG1      ILE  10   3.862   3.734  -0.635
   71   HG21  ILE  10          1HG2      ILE  10  -0.363   3.378  -1.151
   72   HG22  ILE  10          2HG2      ILE  10   0.561   4.416  -2.239
   73   HG23  ILE  10          3HG2      ILE  10   0.320   4.894  -0.560
   74   HD11  ILE  10          1HD1      ILE  10   3.402   3.957  -3.027
   75   HD12  ILE  10          2HD1      ILE  10   4.092   5.433  -2.349
   76   HD13  ILE  10          3HD1      ILE  10   2.364   5.342  -2.689
   77    H    ALA  11           H        PRG  11  -0.591   3.148   1.760
   78    HA   ALA  11           HA       PRG  11  -1.598   0.543   0.923
   79    HB1  ALA  11          1HB       PRG  11  -2.745   0.284   3.037
   80    HB2  ALA  11          2HB       PRG  11  -2.086   1.750   3.680
   81    H    PHE  12           H        PHE  12  -3.728   0.474   0.507
   82    HA   PHE  12           HA       PHE  12  -5.040   3.091   0.310
   83    HB2  PHE  12          2HB       PHE  12  -5.345   0.719  -1.553
   84    HB3  PHE  12          1HB       PHE  12  -6.255   2.217  -1.676
   85    HD1  PHE  12          1HD       PHE  12  -4.792   4.394  -1.865
   86    HD2  PHE  12          2HD       PHE  12  -3.420   0.478  -2.815
   87    HE1  PHE  12          1HE       PHE  12  -3.033   5.358  -3.284
   88    HE2  PHE  12          2HE       PHE  12  -1.658   1.438  -4.234
   89    HZ   PHE  12           HZ       PHE  12  -1.458   3.880  -4.469
   90    HA   PRO  13           HA       PRO  13  -8.080   1.747   3.220
   91    HB2  PRO  13          2HB       PRO  13 -10.054   3.029   1.404
   92    HB3  PRO  13          1HB       PRO  13  -9.796   3.267   3.135
   93    HG2  PRO  13          2HG       PRO  13  -8.939   5.080   1.425
   94    HG3  PRO  13          1HG       PRO  13  -7.944   4.607   2.811
   95    HD2  PRO  13          2HD       PRO  13  -7.661   3.858  -0.070
   96    HD3  PRO  13          1HD       PRO  13  -6.413   4.240   1.137
   97    H    ASN  14           H        ASN  14  -8.630   1.046  -0.134
   98    HA   ASN  14           HA       ASN  14 -10.916  -0.630   0.225
   99    HB2  ASN  14          2HB       ASN  14 -10.621  -1.257  -2.092
  100    HB3  ASN  14          1HB       ASN  14 -10.370   0.476  -1.919
  101   HD21  ASN  14          1HD2      ASN  14  -8.924  -2.564  -2.724
  102   HD22  ASN  14          2HD2      ASN  14  -7.431  -1.931  -3.277
  103    H1   WMH 101          1HG       AZH   3  -2.182  -2.329   3.880
  104    H2   WMH 101          2HG       AZH   3  -2.169  -1.434   2.431
  105    H5   WMH 101           HD       PRG  11   0.632   1.778   4.165
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -7.528  -1.037   1.071
    2    HA2  GLY   1          2HA       GLY   1  -6.996  -2.950   2.492
    3    HA3  GLY   1          1HA       GLY   1  -7.934  -3.938   1.387
    4    H    LYS   2           H        LYS   2  -6.180  -1.735  -0.366
    5    HA   LYS   2           HA       LYS   2  -4.308  -3.799  -1.162
    6    HB2  LYS   2          2HB       LYS   2  -5.458  -2.551  -2.927
    7    HB3  LYS   2          1HB       LYS   2  -4.822  -1.045  -2.302
    8    HG2  LYS   2          2HG       LYS   2  -3.608  -1.712  -4.281
    9    HG3  LYS   2          1HG       LYS   2  -2.549  -1.774  -2.873
   10    HD2  LYS   2          2HD       LYS   2  -2.856  -4.199  -2.749
   11    HD3  LYS   2          1HD       LYS   2  -3.927  -4.141  -4.152
   12    HE2  LYS   2          2HE       LYS   2  -2.099  -3.241  -5.499
   13    HE3  LYS   2          1HE       LYS   2  -1.028  -3.309  -4.102
   14    HZ1  LYS   2          1HZ       LYS   2  -0.688  -5.183  -5.552
   15    HZ2  LYS   2          2HZ       LYS   2  -2.291  -5.647  -5.453
   16    HZ3  LYS   2          3HZ       LYS   2  -1.300  -5.737  -4.098
   17    H    ALA   3           H        AZH   3  -2.580  -3.990  -0.011
   18    HA   ALA   3           HA       AZH   3  -1.052  -1.596   0.610
   19    HB1  ALA   3          1HB       AZH   3  -0.176  -3.249   2.541
   20    HB2  ALA   3          2HB       AZH   3  -1.832  -3.828   2.392
   21    H    LEU   4           H        LEU   4   0.919  -1.557  -0.005
   22    HA   LEU   4           HA       LEU   4   2.127  -4.040  -0.981
   23    HB2  LEU   4          2HB       LEU   4   1.524  -2.544  -2.829
   24    HB3  LEU   4          1HB       LEU   4   2.407  -1.238  -2.065
   25    HG   LEU   4           HG       LEU   4   4.510  -2.510  -2.382
   26   HD11  LEU   4          1HD1      LEU   4   2.768  -4.414  -3.932
   27   HD12  LEU   4          2HD1      LEU   4   3.627  -4.763  -2.430
   28   HD13  LEU   4          3HD1      LEU   4   4.530  -4.425  -3.906
   29   HD21  LEU   4          1HD2      LEU   4   2.907  -2.013  -4.889
   30   HD22  LEU   4          2HD2      LEU   4   4.663  -2.154  -4.803
   31   HD23  LEU   4          3HD2      LEU   4   3.846  -0.815  -3.997
   32    H    PHE   5           H        PHE   5   3.872  -4.540   0.108
   33    HA   PHE   5           HA       PHE   5   4.955  -2.675   1.980
   34    HB2  PHE   5          2HB       PHE   5   4.706  -5.138   2.453
   35    HB3  PHE   5          1HB       PHE   5   6.014  -5.425   1.314
   36    HD1  PHE   5          1HD       PHE   5   8.288  -5.040   1.936
   37    HD2  PHE   5          2HD       PHE   5   5.123  -3.920   4.536
   38    HE1  PHE   5          1HE       PHE   5   9.905  -4.699   3.758
   39    HE2  PHE   5          2HE       PHE   5   6.734  -3.575   6.355
   40    HZ   PHE   5           HZ       PHE   5   9.125  -3.969   5.964
   41    H    SER   6           H        SER   6   5.797  -1.088   0.845
   42    HA   SER   6           HA       SER   6   8.210  -1.624  -0.672
   43    HB2  SER   6          2HB       SER   6   7.549   0.571  -1.836
   44    HB3  SER   6          1HB       SER   6   6.555  -0.841  -2.209
   45    HG   SER   6           HG       SER   6   5.928   1.477  -0.819
   46    H    ASN   7           H        ASN   7   9.173   0.968  -0.713
   47    HA   ASN   7           HA       ASN   7   8.963   2.019   1.947
   48    HB2  ASN   7          2HB       ASN   7  11.489   2.277   2.112
   49    HB3  ASN   7          1HB       ASN   7  10.904   0.632   2.259
   50   HD21  ASN   7          1HD2      ASN   7  11.396  -0.855   0.608
   51   HD22  ASN   7          2HD2      ASN   7  12.617  -0.534  -0.561
   52    HA   PRO   8           HA       PRO   8   8.102   3.685   2.665
   53    HB2  PRO   8          2HB       PRO   8   6.084   5.473   1.568
   54    HB3  PRO   8          1HB       PRO   8   7.140   5.726   2.953
   55    HG2  PRO   8          2HG       PRO   8   7.376   7.130   0.648
   56    HG3  PRO   8          1HG       PRO   8   8.753   6.767   1.698
   57    HD2  PRO   8          2HD       PRO   8   7.878   5.400  -0.816
   58    HD3  PRO   8          1HD       PRO   8   9.515   5.859  -0.303
   59    HA   PRO   9           HA       PRO   9   5.073   0.698   1.163
   60    HB2  PRO   9          2HB       PRO   9   3.657   1.249   3.706
   61    HB3  PRO   9          1HB       PRO   9   4.261  -0.284   3.074
   62    HG2  PRO   9          2HG       PRO   9   5.481   0.944   5.097
   63    HG3  PRO   9          1HG       PRO   9   6.405   0.086   3.852
   64    HD2  PRO   9          2HD       PRO   9   5.977   3.019   4.222
   65    HD3  PRO   9          1HD       PRO   9   7.428   2.131   3.713
   66    H    ILE  10           H        ILE  10   3.071   0.749   0.218
   67    HA   ILE  10           HA       ILE  10   1.593   3.250   0.514
   68    HB   ILE  10           HB       ILE  10   2.728   3.257  -1.643
   69   HG12  ILE  10          2HG1      ILE  10  -0.224   2.717  -2.034
   70   HG13  ILE  10          1HG1      ILE  10   0.471   4.250  -1.522
   71   HG21  ILE  10          1HG2      ILE  10   1.346   0.652  -2.216
   72   HG22  ILE  10          2HG2      ILE  10   3.079   0.906  -1.990
   73   HG23  ILE  10          3HG2      ILE  10   2.259   1.598  -3.391
   74   HD11  ILE  10          1HD1      ILE  10   0.949   2.894  -4.167
   75   HD12  ILE  10          2HD1      ILE  10   1.631   4.440  -3.658
   76   HD13  ILE  10          3HD1      ILE  10  -0.112   4.272  -3.878
   77    H    ALA  11           H        PRG  11  -0.463   3.069   1.089
   78    HA   ALA  11           HA       PRG  11  -1.801   0.500   0.721
   79    HB1  ALA  11          1HB       PRG  11  -2.740   0.530   2.941
   80    HB2  ALA  11          2HB       PRG  11  -1.952   2.003   3.380
   81    H    PHE  12           H        PHE  12  -3.940   0.562   0.537
   82    HA   PHE  12           HA       PHE  12  -5.193   3.197   0.229
   83    HB2  PHE  12          2HB       PHE  12  -5.559   0.747  -1.516
   84    HB3  PHE  12          1HB       PHE  12  -6.565   2.181  -1.606
   85    HD1  PHE  12          1HD       PHE  12  -5.622   4.302  -2.406
   86    HD2  PHE  12          2HD       PHE  12  -3.391   0.687  -2.501
   87    HE1  PHE  12          1HE       PHE  12  -4.070   5.313  -4.010
   88    HE2  PHE  12          2HE       PHE  12  -1.826   1.694  -4.109
   89    HZ   PHE  12           HZ       PHE  12  -2.166   4.015  -4.866
   90    HA   PRO  13           HA       PRO  13  -8.211   1.881   3.238
   91    HB2  PRO  13          2HB       PRO  13 -10.116   3.199   1.355
   92    HB3  PRO  13          1HB       PRO  13  -9.952   3.398   3.104
   93    HG2  PRO  13          2HG       PRO  13  -8.977   5.252   1.527
   94    HG3  PRO  13          1HG       PRO  13  -8.012   4.685   2.900
   95    HD2  PRO  13          2HD       PRO  13  -7.714   4.027  -0.005
   96    HD3  PRO  13          1HD       PRO  13  -6.476   4.354   1.226
   97    H    ASN  14           H        ASN  14  -8.585   1.028  -0.095
   98    HA   ASN  14           HA       ASN  14 -10.803  -0.718   0.293
   99    HB2  ASN  14          2HB       ASN  14 -10.382  -1.560  -1.990
  100    HB3  ASN  14          1HB       ASN  14 -10.404   0.191  -1.945
  101   HD21  ASN  14          1HD2      ASN  14  -9.256   0.368  -3.836
  102   HD22  ASN  14          2HD2      ASN  14  -7.585  -0.011  -3.977
  103    H1   WMH 101          1HG       AZH   3  -2.228  -2.049   3.954
  104    H2   WMH 101          2HG       AZH   3  -2.322  -1.284   2.420
  105    H5   WMH 101           HD       PRG  11   0.782   1.910   3.702
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -7.442  -1.144   0.752
    2    HA2  GLY   1          2HA       GLY   1  -6.705  -3.187   1.747
    3    HA3  GLY   1          1HA       GLY   1  -7.571  -4.064   0.492
    4    H    LYS   2           H        LYS   2  -5.823  -1.350  -0.599
    5    HA   LYS   2           HA       LYS   2  -3.896  -3.160  -1.797
    6    HB2  LYS   2          2HB       LYS   2  -5.180  -1.385  -3.134
    7    HB3  LYS   2          1HB       LYS   2  -4.215  -0.187  -2.307
    8    HG2  LYS   2          2HG       LYS   2  -3.018  -2.359  -4.031
    9    HG3  LYS   2          1HG       LYS   2  -3.496  -0.783  -4.644
   10    HD2  LYS   2          2HD       LYS   2  -1.882   0.294  -3.179
   11    HD3  LYS   2          1HD       LYS   2  -1.436  -1.267  -2.484
   12    HE2  LYS   2          2HE       LYS   2   0.183  -0.536  -4.190
   13    HE3  LYS   2          1HE       LYS   2  -0.641  -2.014  -4.667
   14    HZ1  LYS   2          1HZ       LYS   2  -0.457  -0.457  -6.481
   15    HZ2  LYS   2          2HZ       LYS   2  -1.340   0.708  -5.644
   16    HZ3  LYS   2          3HZ       LYS   2  -2.066  -0.739  -6.104
   17    H    ALA   3           H        AZH   3  -2.276  -3.611  -0.511
   18    HA   ALA   3           HA       AZH   3  -0.803  -1.443   0.749
   19    HB1  ALA   3          1HB       AZH   3  -0.372  -3.371   2.553
   20    HB2  ALA   3          2HB       AZH   3  -2.000  -3.808   2.056
   21    H    LEU   4           H        LEU   4   1.295  -1.521   0.506
   22    HA   LEU   4           HA       LEU   4   2.482  -4.008  -0.403
   23    HB2  LEU   4          2HB       LEU   4   3.905  -2.832  -2.022
   24    HB3  LEU   4          1HB       LEU   4   2.223  -2.611  -2.415
   25    HG   LEU   4           HG       LEU   4   3.972  -0.499  -1.111
   26   HD11  LEU   4          1HD1      LEU   4   4.723  -1.020  -3.370
   27   HD12  LEU   4          2HD1      LEU   4   3.955   0.566  -3.305
   28   HD13  LEU   4          3HD1      LEU   4   3.078  -0.813  -3.974
   29   HD21  LEU   4          1HD2      LEU   4   2.182   1.034  -1.784
   30   HD22  LEU   4          2HD2      LEU   4   1.601  -0.171  -0.641
   31   HD23  LEU   4          3HD2      LEU   4   1.225  -0.332  -2.355
   32    H    PHE   5           H        PHE   5   4.619  -4.335   0.272
   33    HA   PHE   5           HA       PHE   5   5.201  -2.749   2.638
   34    HB2  PHE   5          2HB       PHE   5   6.699  -4.604   3.326
   35    HB3  PHE   5          1HB       PHE   5   5.035  -5.110   3.104
   36    HD1  PHE   5          1HD       PHE   5   8.437  -5.279   1.767
   37    HD2  PHE   5          2HD       PHE   5   4.451  -6.690   1.416
   38    HE1  PHE   5          1HE       PHE   5   9.223  -7.095   0.298
   39    HE2  PHE   5          2HE       PHE   5   5.218  -8.512  -0.068
   40    HZ   PHE   5           HZ       PHE   5   7.605  -8.714  -0.624
   41    H    SER   6           H        SER   6   6.172  -2.904  -0.502
   42    HA   SER   6           HA       SER   6   8.917  -2.317  -0.181
   43    HB2  SER   6          2HB       SER   6   8.620  -1.428  -2.530
   44    HB3  SER   6          1HB       SER   6   8.217  -3.132  -2.289
   45    HG   SER   6           HG       SER   6   6.355  -1.013  -2.191
   46    H    ASN   7           H        ASN   7   9.878  -0.452   0.222
   47    HA   ASN   7           HA       ASN   7   8.444   1.725   1.309
   48    HB2  ASN   7          2HB       ASN   7  10.702   1.100   2.083
   49    HB3  ASN   7          1HB       ASN   7  11.364   1.484   0.506
   50   HD21  ASN   7          1HD2      ASN   7  12.800   2.953   1.388
   51   HD22  ASN   7          2HD2      ASN   7  12.315   4.485   2.008
   52    HA   PRO   8           HA       PRO   8   7.932   3.623   1.497
   53    HB2  PRO   8          2HB       PRO   8   6.072   5.483   0.775
   54    HB3  PRO   8          1HB       PRO   8   7.775   5.822   1.060
   55    HG2  PRO   8          2HG       PRO   8   6.307   5.816  -1.453
   56    HG3  PRO   8          1HG       PRO   8   7.928   6.429  -1.114
   57    HD2  PRO   8          2HD       PRO   8   7.150   3.923  -2.362
   58    HD3  PRO   8          1HD       PRO   8   8.764   4.628  -2.205
   59    HA   PRO   9           HA       PRO   9   4.328   0.953   1.162
   60    HB2  PRO   9          2HB       PRO   9   3.988   1.106   4.018
   61    HB3  PRO   9          1HB       PRO   9   4.620  -0.240   3.069
   62    HG2  PRO   9          2HG       PRO   9   6.118   1.271   4.804
   63    HG3  PRO   9          1HG       PRO   9   6.789   0.375   3.428
   64    HD2  PRO   9          2HD       PRO   9   6.166   3.286   3.687
   65    HD3  PRO   9          1HD       PRO   9   7.530   2.473   2.891
   66    H    ILE  10           H        ILE  10   2.692   2.108   0.322
   67    HA   ILE  10           HA       ILE  10   1.241   3.885   2.133
   68    HB   ILE  10           HB       ILE  10   2.003   5.032   0.111
   69   HG12  ILE  10          2HG1      ILE  10  -0.983   4.537  -0.021
   70   HG13  ILE  10          1HG1      ILE  10  -0.186   5.685   1.046
   71   HG21  ILE  10          1HG2      ILE  10   2.253   3.181  -1.400
   72   HG22  ILE  10          2HG2      ILE  10   1.202   4.394  -2.134
   73   HG23  ILE  10          3HG2      ILE  10   0.510   2.924  -1.439
   74   HD11  ILE  10          1HD1      ILE  10   0.583   6.950  -0.902
   75   HD12  ILE  10          2HD1      ILE  10  -1.172   6.796  -0.875
   76   HD13  ILE  10          3HD1      ILE  10  -0.216   5.791  -1.964
   77    H    ALA  11           H        PRG  11  -0.946   3.456   2.511
   78    HA   ALA  11           HA       PRG  11  -1.857   0.978   1.287
   79    HB1  ALA  11          1HB       PRG  11  -3.005   0.387   3.365
   80    HB2  ALA  11          2HB       PRG  11  -2.282   1.741   4.193
   81    H    PHE  12           H        PHE  12  -3.871   0.811   0.765
   82    HA   PHE  12           HA       PHE  12  -5.396   3.291   0.851
   83    HB2  PHE  12          2HB       PHE  12  -5.392   1.133  -1.263
   84    HB3  PHE  12          1HB       PHE  12  -6.417   2.553  -1.271
   85    HD1  PHE  12          1HD       PHE  12  -2.964   1.349  -1.628
   86    HD2  PHE  12          2HD       PHE  12  -5.595   4.667  -1.949
   87    HE1  PHE  12          1HE       PHE  12  -1.242   2.582  -2.865
   88    HE2  PHE  12          2HE       PHE  12  -3.891   5.907  -3.169
   89    HZ   PHE  12           HZ       PHE  12  -1.696   4.865  -3.640
   90    HA   PRO  13           HA       PRO  13  -8.460   1.286   3.310
   91    HB2  PRO  13          2HB       PRO  13 -10.719   2.388   2.112
   92    HB3  PRO  13          1HB       PRO  13  -9.740   3.172   3.359
   93    HG2  PRO  13          2HG       PRO  13  -9.603   3.477   0.381
   94    HG3  PRO  13          1HG       PRO  13  -9.536   4.730   1.634
   95    HD2  PRO  13          2HD       PRO  13  -7.323   3.950   0.472
   96    HD3  PRO  13          1HD       PRO  13  -7.350   4.172   2.236
   97    H    ASN  14           H        ASN  14  -8.472   0.916  -0.123
   98    HA   ASN  14           HA       ASN  14 -10.642  -0.972  -0.222
   99    HB2  ASN  14          2HB       ASN  14 -10.165  -1.175  -2.598
  100    HB3  ASN  14          1HB       ASN  14 -10.125   0.522  -2.154
  101   HD21  ASN  14          1HD2      ASN  14  -8.905  -0.754  -4.460
  102   HD22  ASN  14          2HD2      ASN  14  -7.221  -0.425  -4.334
  103    H1   WMH 101          1HG       AZH   3  -2.453  -2.279   3.834
  104    H2   WMH 101          2HG       AZH   3  -2.475  -1.312   2.395
  105    H5   WMH 101           HD       PRG  11   0.488   1.668   4.430
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -7.394  -1.070   1.269
    2    HA2  GLY   1          2HA       GLY   1  -6.819  -3.081   2.568
    3    HA3  GLY   1          1HA       GLY   1  -7.682  -3.994   1.338
    4    H    LYS   2           H        LYS   2  -6.480  -2.098  -0.720
    5    HA   LYS   2           HA       LYS   2  -4.386  -3.820  -1.452
    6    HB2  LYS   2          2HB       LYS   2  -5.771  -2.491  -3.061
    7    HB3  LYS   2          1HB       LYS   2  -4.923  -1.047  -2.547
    8    HG2  LYS   2          2HG       LYS   2  -2.831  -1.953  -3.375
    9    HG3  LYS   2          1HG       LYS   2  -3.642  -3.449  -3.846
   10    HD2  LYS   2          2HD       LYS   2  -5.092  -2.087  -5.360
   11    HD3  LYS   2          1HD       LYS   2  -4.095  -0.686  -4.966
   12    HE2  LYS   2          2HE       LYS   2  -3.098  -3.245  -6.214
   13    HE3  LYS   2          1HE       LYS   2  -3.446  -1.759  -7.095
   14    HZ1  LYS   2          1HZ       LYS   2  -1.370  -2.064  -4.978
   15    HZ2  LYS   2          2HZ       LYS   2  -1.681  -0.663  -5.885
   16    HZ3  LYS   2          3HZ       LYS   2  -1.102  -2.033  -6.642
   17    H    ALA   3           H        AZH   3  -2.442  -3.913  -0.735
   18    HA   ALA   3           HA       AZH   3  -1.035  -1.536   0.166
   19    HB1  ALA   3          1HB       AZH   3  -0.180  -3.240   2.045
   20    HB2  ALA   3          2HB       AZH   3  -1.819  -3.841   1.843
   21    H    LEU   4           H        LEU   4   1.037  -1.486  -0.344
   22    HA   LEU   4           HA       LEU   4   2.286  -4.033  -0.989
   23    HB2  LEU   4          2HB       LEU   4   1.958  -2.731  -3.058
   24    HB3  LEU   4          1HB       LEU   4   2.773  -1.364  -2.320
   25    HG   LEU   4           HG       LEU   4   4.842  -2.740  -2.171
   26   HD11  LEU   4          1HD1      LEU   4   3.274  -4.711  -3.816
   27   HD12  LEU   4          2HD1      LEU   4   3.889  -4.953  -2.178
   28   HD13  LEU   4          3HD1      LEU   4   5.011  -4.771  -3.523
   29   HD21  LEU   4          1HD2      LEU   4   5.387  -2.618  -4.562
   30   HD22  LEU   4          2HD2      LEU   4   4.558  -1.172  -3.990
   31   HD23  LEU   4          3HD2      LEU   4   3.678  -2.384  -4.925
   32    H    PHE   5           H        PHE   5   3.776  -4.407   0.420
   33    HA   PHE   5           HA       PHE   5   4.629  -2.234   2.083
   34    HB2  PHE   5          2HB       PHE   5   5.102  -5.191   2.352
   35    HB3  PHE   5          1HB       PHE   5   5.840  -4.000   3.421
   36    HD1  PHE   5          1HD       PHE   5   2.733  -5.646   2.455
   37    HD2  PHE   5          2HD       PHE   5   4.498  -2.721   4.981
   38    HE1  PHE   5          1HE       PHE   5   0.694  -5.606   3.828
   39    HE2  PHE   5          2HE       PHE   5   2.466  -2.677   6.356
   40    HZ   PHE   5           HZ       PHE   5   0.561  -4.120   5.780
   41    H    SER   6           H        SER   6   5.612  -1.161   0.485
   42    HA   SER   6           HA       SER   6   8.306  -1.983  -0.160
   43    HB2  SER   6          2HB       SER   6   7.972   0.029  -1.736
   44    HB3  SER   6          1HB       SER   6   7.025  -1.422  -2.077
   45    HG   SER   6           HG       SER   6   6.031   0.873  -1.865
   46    H    ASN   7           H        ASN   7   9.206   0.713  -0.480
   47    HA   ASN   7           HA       ASN   7   8.685   1.981   2.037
   48    HB2  ASN   7          2HB       ASN   7  11.178   2.357   2.424
   49    HB3  ASN   7          1HB       ASN   7  10.607   0.721   2.694
   50   HD21  ASN   7          1HD2      ASN   7  12.595   2.773   0.744
   51   HD22  ASN   7          2HD2      ASN   7  13.382   1.520  -0.145
   52    HA   PRO   8           HA       PRO   8   7.915   3.652   2.665
   53    HB2  PRO   8          2HB       PRO   8   6.003   5.461   2.062
   54    HB3  PRO   8          1HB       PRO   8   7.608   5.951   2.618
   55    HG2  PRO   8          2HG       PRO   8   6.532   5.832  -0.174
   56    HG3  PRO   8          1HG       PRO   8   7.477   7.115   0.601
   57    HD2  PRO   8          2HD       PRO   8   8.595   5.283  -1.048
   58    HD3  PRO   8          1HD       PRO   8   9.467   5.992   0.325
   59    HA   PRO   9           HA       PRO   9   4.946   0.780   0.984
   60    HB2  PRO   9          2HB       PRO   9   3.408   0.394   3.199
   61    HB3  PRO   9          1HB       PRO   9   5.019  -0.307   3.018
   62    HG2  PRO   9          2HG       PRO   9   4.174   2.131   4.519
   63    HG3  PRO   9          1HG       PRO   9   5.334   0.872   4.987
   64    HD2  PRO   9          2HD       PRO   9   6.077   3.292   4.001
   65    HD3  PRO   9          1HD       PRO   9   7.032   1.817   3.757
   66    H    ILE  10           H        ILE  10   3.184   1.078  -0.179
   67    HA   ILE  10           HA       ILE  10   1.532   3.370   0.505
   68    HB   ILE  10           HB       ILE  10   0.915   3.705  -1.803
   69   HG12  ILE  10          2HG1      ILE  10   1.097   1.325  -2.619
   70   HG13  ILE  10          1HG1      ILE  10   1.813   2.503  -3.700
   71   HG21  ILE  10          1HG2      ILE  10   3.062   4.439  -2.693
   72   HG22  ILE  10          2HG2      ILE  10   3.858   3.475  -1.439
   73   HG23  ILE  10          3HG2      ILE  10   2.842   4.849  -0.981
   74   HD11  ILE  10          1HD1      ILE  10   3.287   0.656  -1.825
   75   HD12  ILE  10          2HD1      ILE  10   4.036   1.868  -2.859
   76   HD13  ILE  10          3HD1      ILE  10   3.166   0.515  -3.579
   77    H    ALA  11           H        PRG  11  -0.467   3.113   1.022
   78    HA   ALA  11           HA       PRG  11  -1.714   0.564   0.352
   79    HB1  ALA  11          1HB       PRG  11  -2.767   0.477   2.516
   80    HB2  ALA  11          2HB       PRG  11  -2.006   1.928   3.062
   81    H    PHE  12           H        PHE  12  -3.935   0.585   0.442
   82    HA   PHE  12           HA       PHE  12  -5.242   3.169   0.093
   83    HB2  PHE  12          2HB       PHE  12  -5.733   0.581  -1.430
   84    HB3  PHE  12          1HB       PHE  12  -6.697   2.040  -1.589
   85    HD1  PHE  12          1HD       PHE  12  -3.440   0.493  -2.331
   86    HD2  PHE  12          2HD       PHE  12  -5.931   3.892  -2.892
   87    HE1  PHE  12          1HE       PHE  12  -1.955   1.282  -4.127
   88    HE2  PHE  12          2HE       PHE  12  -4.451   4.685  -4.682
   89    HZ   PHE  12           HZ       PHE  12  -2.459   3.378  -5.302
   90    HA   PRO  13           HA       PRO  13  -7.660   1.653   3.474
   91    HB2  PRO  13          2HB       PRO  13 -10.038   2.921   2.985
   92    HB3  PRO  13          1HB       PRO  13  -8.625   3.717   3.687
   93    HG2  PRO  13          2HG       PRO  13  -9.580   3.697   0.858
   94    HG3  PRO  13          1HG       PRO  13  -8.959   5.058   1.810
   95    HD2  PRO  13          2HD       PRO  13  -7.437   3.794  -0.001
   96    HD3  PRO  13          1HD       PRO  13  -6.752   4.401   1.522
   97    H    ASN  14           H        ASN  14  -8.425   0.915   0.285
   98    HA   ASN  14           HA       ASN  14 -10.693  -0.775   0.872
   99    HB2  ASN  14          2HB       ASN  14 -10.523  -1.490  -1.512
  100    HB3  ASN  14          1HB       ASN  14 -10.669   0.247  -1.312
  101   HD21  ASN  14          1HD2      ASN  14  -9.796   0.641  -3.328
  102   HD22  ASN  14          2HD2      ASN  14  -8.113   0.445  -3.663
  103    H1   WMH 101          1HG       AZH   3  -2.277  -2.147   3.454
  104    H2   WMH 101          2HG       AZH   3  -2.345  -1.304   1.957
  105    H5   WMH 101           HD       PRG  11   0.728   1.826   3.459
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -7.299  -1.167   0.692
    2    HA2  GLY   1          2HA       GLY   1  -6.434  -3.075   1.832
    3    HA3  GLY   1          1HA       GLY   1  -7.124  -4.090   0.574
    4    H    LYS   2           H        LYS   2  -5.815  -1.433  -0.908
    5    HA   LYS   2           HA       LYS   2  -3.618  -2.980  -1.892
    6    HB2  LYS   2          2HB       LYS   2  -4.889  -1.357  -3.316
    7    HB3  LYS   2          1HB       LYS   2  -4.249  -0.047  -2.344
    8    HG2  LYS   2          2HG       LYS   2  -3.012  -0.196  -4.408
    9    HG3  LYS   2          1HG       LYS   2  -1.964  -0.667  -3.071
   10    HD2  LYS   2          2HD       LYS   2  -2.419  -3.037  -3.581
   11    HD3  LYS   2          1HD       LYS   2  -3.415  -2.540  -4.945
   12    HE2  LYS   2          2HE       LYS   2  -1.484  -1.522  -6.016
   13    HE3  LYS   2          1HE       LYS   2  -0.477  -1.914  -4.621
   14    HZ1  LYS   2          1HZ       LYS   2  -1.765  -3.875  -6.460
   15    HZ2  LYS   2          2HZ       LYS   2  -0.959  -4.270  -5.060
   16    HZ3  LYS   2          3HZ       LYS   2  -0.111  -3.574  -6.317
   17    H    ALA   3           H        AZH   3  -1.818  -3.227  -0.787
   18    HA   ALA   3           HA       AZH   3  -0.732  -1.030   0.768
   19    HB1  ALA   3          1HB       AZH   3  -0.087  -3.065   2.378
   20    HB2  ALA   3          2HB       AZH   3  -1.632  -3.652   1.777
   21    H    LEU   4           H        LEU   4   1.319  -0.791   0.584
   22    HA   LEU   4           HA       LEU   4   2.809  -2.850  -0.867
   23    HB2  LEU   4          2HB       LEU   4   3.514   0.041  -0.346
   24    HB3  LEU   4          1HB       LEU   4   4.467  -1.088  -1.280
   25    HG   LEU   4           HG       LEU   4   1.765   0.020  -2.010
   26   HD11  LEU   4          1HD1      LEU   4   4.485   0.414  -3.239
   27   HD12  LEU   4          2HD1      LEU   4   3.598   1.595  -2.281
   28   HD13  LEU   4          3HD1      LEU   4   2.969   1.081  -3.846
   29   HD21  LEU   4          1HD2      LEU   4   2.061  -1.179  -4.139
   30   HD22  LEU   4          2HD2      LEU   4   1.926  -2.277  -2.769
   31   HD23  LEU   4          3HD2      LEU   4   3.506  -1.954  -3.484
   32    H    PHE   5           H        PHE   5   4.292  -3.978   0.199
   33    HA   PHE   5           HA       PHE   5   4.994  -3.193   2.919
   34    HB2  PHE   5          2HB       PHE   5   4.506  -5.617   2.275
   35    HB3  PHE   5          1HB       PHE   5   5.963  -5.575   1.293
   36    HD1  PHE   5          1HD       PHE   5   8.154  -5.704   2.322
   37    HD2  PHE   5          2HD       PHE   5   4.631  -5.584   4.706
   38    HE1  PHE   5          1HE       PHE   5   9.462  -6.392   4.282
   39    HE2  PHE   5          2HE       PHE   5   5.935  -6.270   6.672
   40    HZ   PHE   5           HZ       PHE   5   8.352  -6.674   6.464
   41    H    SER   6           H        SER   6   5.998  -3.117  -0.280
   42    HA   SER   6           HA       SER   6   8.769  -2.600   0.045
   43    HB2  SER   6          2HB       SER   6   6.902  -1.993  -2.245
   44    HB3  SER   6          1HB       SER   6   8.662  -2.116  -2.331
   45    HG   SER   6           HG       SER   6   8.351  -4.289  -1.509
   46    H    ASN   7           H        ASN   7   9.737  -0.501  -0.284
   47    HA   ASN   7           HA       ASN   7   8.222   1.590   0.907
   48    HB2  ASN   7          2HB       ASN   7  10.232   2.979   0.737
   49    HB3  ASN   7          1HB       ASN   7  10.647   1.394   1.364
   50   HD21  ASN   7          1HD2      ASN   7  12.227   3.469  -0.008
   51   HD22  ASN   7          2HD2      ASN   7  12.980   2.690  -1.344
   52    HA   PRO   8           HA       PRO   8   7.759   3.490   1.067
   53    HB2  PRO   8          2HB       PRO   8   5.786   5.264   0.703
   54    HB3  PRO   8          1HB       PRO   8   7.463   5.646   0.302
   55    HG2  PRO   8          2HG       PRO   8   5.198   4.966  -1.504
   56    HG3  PRO   8          1HG       PRO   8   6.568   6.051  -1.776
   57    HD2  PRO   8          2HD       PRO   8   6.329   3.407  -2.702
   58    HD3  PRO   8          1HD       PRO   8   7.809   4.384  -2.687
   59    HA   PRO   9           HA       PRO   9   4.311   0.673   1.694
   60    HB2  PRO   9          2HB       PRO   9   4.357   1.394   4.522
   61    HB3  PRO   9          1HB       PRO   9   4.776  -0.149   3.770
   62    HG2  PRO   9          2HG       PRO   9   6.613   1.477   4.910
   63    HG3  PRO   9          1HG       PRO   9   6.989   0.426   3.533
   64    HD2  PRO   9          2HD       PRO   9   6.394   3.362   3.579
   65    HD3  PRO   9          1HD       PRO   9   7.629   2.465   2.665
   66    H    ILE  10           H        ILE  10   2.874   2.028   0.623
   67    HA   ILE  10           HA       ILE  10   1.292   3.757   2.354
   68    HB   ILE  10           HB       ILE  10   2.211   4.908   0.388
   69   HG12  ILE  10          2HG1      ILE  10  -0.768   4.495   0.043
   70   HG13  ILE  10          1HG1      ILE  10  -0.029   5.551   1.239
   71   HG21  ILE  10          1HG2      ILE  10   0.741   2.873  -1.276
   72   HG22  ILE  10          2HG2      ILE  10   2.488   3.055  -1.126
   73   HG23  ILE  10          3HG2      ILE  10   1.534   4.320  -1.901
   74   HD11  ILE  10          1HD1      ILE  10  -0.842   6.799  -0.676
   75   HD12  ILE  10          2HD1      ILE  10   0.190   5.844  -1.744
   76   HD13  ILE  10          3HD1      ILE  10   0.914   6.913  -0.542
   77    H    ALA  11           H        PRG  11  -0.887   3.410   2.576
   78    HA   ALA  11           HA       PRG  11  -1.894   0.995   1.303
   79    HB1  ALA  11          1HB       PRG  11  -3.065   0.329   3.293
   80    HB2  ALA  11          2HB       PRG  11  -2.497   1.679   4.216
   81    H    PHE  12           H        PHE  12  -3.911   0.922   0.777
   82    HA   PHE  12           HA       PHE  12  -5.463   3.394   0.963
   83    HB2  PHE  12          2HB       PHE  12  -5.357   1.416  -1.338
   84    HB3  PHE  12          1HB       PHE  12  -6.397   2.826  -1.259
   85    HD1  PHE  12          1HD       PHE  12  -5.485   5.068  -1.532
   86    HD2  PHE  12          2HD       PHE  12  -2.995   1.630  -1.828
   87    HE1  PHE  12          1HE       PHE  12  -3.739   6.427  -2.592
   88    HE2  PHE  12          2HE       PHE  12  -1.245   2.988  -2.889
   89    HZ   PHE  12           HZ       PHE  12  -1.616   5.389  -3.269
   90    HA   PRO  13           HA       PRO  13  -8.481   1.054   3.212
   91    HB2  PRO  13          2HB       PRO  13 -10.507   2.410   1.521
   92    HB3  PRO  13          1HB       PRO  13 -10.387   2.312   3.281
   93    HG2  PRO  13          2HG       PRO  13  -9.718   4.546   2.034
   94    HG3  PRO  13          1HG       PRO  13  -8.755   3.955   3.399
   95    HD2  PRO  13          2HD       PRO  13  -8.170   3.847   0.476
   96    HD3  PRO  13          1HD       PRO  13  -7.079   4.142   1.847
   97    H    ASN  14           H        ASN  14  -8.403   0.751  -0.232
   98    HA   ASN  14           HA       ASN  14 -10.442  -1.301  -0.353
   99    HB2  ASN  14          2HB       ASN  14  -9.825  -1.584  -2.696
  100    HB3  ASN  14          1HB       ASN  14  -9.991   0.128  -2.345
  101   HD21  ASN  14          1HD2      ASN  14  -8.531  -1.279  -4.438
  102   HD22  ASN  14          2HD2      ASN  14  -6.902  -0.714  -4.327
  103    H1   WMH 101          1HG       AZH   3  -2.400  -2.369   3.634
  104    H2   WMH 101          2HG       AZH   3  -2.375  -1.243   2.326
  105    H5   WMH 101           HD       PRG  11   0.187   1.708   4.836
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -7.450  -1.149   1.058
    2    HA2  GLY   1          2HA       GLY   1  -7.197  -2.975   2.706
    3    HA3  GLY   1          1HA       GLY   1  -8.082  -3.986   1.572
    4    H    LYS   2           H        LYS   2  -6.333  -2.238  -0.445
    5    HA   LYS   2           HA       LYS   2  -4.349  -4.308  -0.674
    6    HB2  LYS   2          2HB       LYS   2  -5.476  -3.531  -2.688
    7    HB3  LYS   2          1HB       LYS   2  -4.929  -1.890  -2.400
    8    HG2  LYS   2          2HG       LYS   2  -3.612  -2.921  -4.145
    9    HG3  LYS   2          1HG       LYS   2  -2.602  -2.625  -2.729
   10    HD2  LYS   2          2HD       LYS   2  -2.888  -4.978  -2.065
   11    HD3  LYS   2          1HD       LYS   2  -3.837  -5.260  -3.526
   12    HE2  LYS   2          2HE       LYS   2  -1.908  -4.654  -4.898
   13    HE3  LYS   2          1HE       LYS   2  -0.963  -4.345  -3.443
   14    HZ1  LYS   2          1HZ       LYS   2  -2.116  -6.961  -4.230
   15    HZ2  LYS   2          2HZ       LYS   2  -1.211  -6.684  -2.845
   16    HZ3  LYS   2          3HZ       LYS   2  -0.498  -6.530  -4.366
   17    H    ALA   3           H        AZH   3  -2.468  -4.173   0.302
   18    HA   ALA   3           HA       AZH   3  -1.315  -1.532   0.685
   19    HB1  ALA   3          1HB       AZH   3   0.075  -2.970   2.483
   20    HB2  ALA   3          2HB       AZH   3  -1.445  -3.858   2.511
   21    H    LEU   4           H        LEU   4   0.562  -1.052  -0.093
   22    HA   LEU   4           HA       LEU   4   1.939  -3.133  -1.577
   23    HB2  LEU   4          2HB       LEU   4   1.176  -1.149  -2.796
   24    HB3  LEU   4          1HB       LEU   4   2.124  -0.140  -1.713
   25    HG   LEU   4           HG       LEU   4   4.185  -1.198  -2.581
   26   HD11  LEU   4          1HD1      LEU   4   3.263  -3.342  -3.257
   27   HD12  LEU   4          2HD1      LEU   4   4.066  -2.558  -4.614
   28   HD13  LEU   4          3HD1      LEU   4   2.307  -2.553  -4.511
   29   HD21  LEU   4          1HD2      LEU   4   4.145  -0.097  -4.768
   30   HD22  LEU   4          2HD2      LEU   4   3.389   0.900  -3.528
   31   HD23  LEU   4          3HD2      LEU   4   2.387   0.015  -4.678
   32    H    PHE   5           H        PHE   5   3.463  -3.987  -0.437
   33    HA   PHE   5           HA       PHE   5   4.767  -2.490   1.667
   34    HB2  PHE   5          2HB       PHE   5   4.129  -4.810   2.171
   35    HB3  PHE   5          1HB       PHE   5   5.148  -5.390   0.859
   36    HD1  PHE   5          1HD       PHE   5   7.462  -5.763   1.191
   37    HD2  PHE   5          2HD       PHE   5   5.213  -3.666   4.139
   38    HE1  PHE   5          1HE       PHE   5   9.377  -5.861   2.717
   39    HE2  PHE   5          2HE       PHE   5   7.132  -3.765   5.669
   40    HZ   PHE   5           HZ       PHE   5   9.220  -4.866   4.955
   41    H    SER   6           H        SER   6   6.396  -1.287   1.269
   42    HA   SER   6           HA       SER   6   8.710  -2.028  -0.079
   43    HB2  SER   6          2HB       SER   6   7.162  -1.589  -2.069
   44    HB3  SER   6          1HB       SER   6   6.926   0.042  -1.455
   45    HG   SER   6           HG       SER   6   8.523   0.293  -2.880
   46    H    ASN   7           H        ASN   7   9.730   0.478  -0.403
   47    HA   ASN   7           HA       ASN   7   8.782   1.965   1.907
   48    HB2  ASN   7          2HB       ASN   7  11.098   2.758   2.427
   49    HB3  ASN   7          1HB       ASN   7  10.951   1.021   2.580
   50   HD21  ASN   7          1HD2      ASN   7  12.084  -0.290   1.129
   51   HD22  ASN   7          2HD2      ASN   7  13.349   0.307   0.138
   52    HA   PRO   8           HA       PRO   8   7.930   3.627   2.464
   53    HB2  PRO   8          2HB       PRO   8   5.853   5.214   1.965
   54    HB3  PRO   8          1HB       PRO   8   7.475   5.890   2.163
   55    HG2  PRO   8          2HG       PRO   8   5.969   5.297  -0.351
   56    HG3  PRO   8          1HG       PRO   8   6.890   6.751   0.074
   57    HD2  PRO   8          2HD       PRO   8   7.858   4.712  -1.476
   58    HD3  PRO   8          1HD       PRO   8   8.894   5.778  -0.516
   59    HA   PRO   9           HA       PRO   9   4.735   0.671   1.321
   60    HB2  PRO   9          2HB       PRO   9   3.439   0.819   3.869
   61    HB3  PRO   9          1HB       PRO   9   4.587  -0.402   3.324
   62    HG2  PRO   9          2HG       PRO   9   5.067   1.459   5.327
   63    HG3  PRO   9          1HG       PRO   9   6.309   0.563   4.439
   64    HD2  PRO   9          2HD       PRO   9   5.369   3.365   4.080
   65    HD3  PRO   9          1HD       PRO   9   6.989   2.662   3.878
   66    H    ILE  10           H        ILE  10   3.218   1.396   0.000
   67    HA   ILE  10           HA       ILE  10   1.516   3.608   0.849
   68    HB   ILE  10           HB       ILE  10   1.772   2.316  -1.887
   69   HG12  ILE  10          2HG1      ILE  10   3.856   3.442  -1.295
   70   HG13  ILE  10          1HG1      ILE  10   3.011   4.357  -2.537
   71   HG21  ILE  10          1HG2      ILE  10   0.558   4.282  -2.717
   72   HG22  ILE  10          2HG2      ILE  10   0.380   4.863  -1.064
   73   HG23  ILE  10          3HG2      ILE  10  -0.406   3.363  -1.559
   74   HD11  ILE  10          1HD1      ILE  10   3.142   5.013   0.402
   75   HD12  ILE  10          2HD1      ILE  10   2.204   5.898  -0.793
   76   HD13  ILE  10          3HD1      ILE  10   3.961   5.862  -0.912
   77    H    ALA  11           H        PRG  11  -0.352   3.068   1.764
   78    HA   ALA  11           HA       PRG  11  -1.509   0.536   0.937
   79    HB1  ALA  11          1HB       PRG  11  -2.724   0.458   3.041
   80    HB2  ALA  11          2HB       PRG  11  -2.029   1.935   3.603
   81    H    PHE  12           H        PHE  12  -3.541   0.390   0.369
   82    HA   PHE  12           HA       PHE  12  -4.824   2.931  -0.254
   83    HB2  PHE  12          2HB       PHE  12  -5.228   0.218  -1.557
   84    HB3  PHE  12          1HB       PHE  12  -5.886   1.758  -2.106
   85    HD1  PHE  12          1HD       PHE  12  -3.112  -0.499  -2.267
   86    HD2  PHE  12          2HD       PHE  12  -4.262   3.538  -2.893
   87    HE1  PHE  12          1HE       PHE  12  -1.102  -0.150  -3.634
   88    HE2  PHE  12          2HE       PHE  12  -2.252   3.898  -4.268
   89    HZ   PHE  12           HZ       PHE  12  -0.667   2.055  -4.636
   90    HA   PRO  13           HA       PRO  13  -7.692   1.932   2.918
   91    HB2  PRO  13          2HB       PRO  13  -9.886   3.292   1.943
   92    HB3  PRO  13          1HB       PRO  13  -8.557   4.026   2.845
   93    HG2  PRO  13          2HG       PRO  13  -9.037   3.940  -0.101
   94    HG3  PRO  13          1HG       PRO  13  -8.407   5.260   0.895
   95    HD2  PRO  13          2HD       PRO  13  -6.796   3.740  -0.616
   96    HD3  PRO  13          1HD       PRO  13  -6.275   4.365   0.961
   97    H    ASN  14           H        ASN  14  -8.145   0.745  -0.216
   98    HA   ASN  14           HA       ASN  14 -10.671  -0.548   0.330
   99    HB2  ASN  14          2HB       ASN  14 -10.517  -1.516  -1.882
  100    HB3  ASN  14          1HB       ASN  14 -10.064   0.175  -1.995
  101   HD21  ASN  14          1HD2      ASN  14  -9.488  -1.903  -3.847
  102   HD22  ASN  14          2HD2      ASN  14  -7.776  -2.050  -3.930
  103    H1   WMH 101          1HG       AZH   3  -2.202  -2.159   4.002
  104    H2   WMH 101          2HG       AZH   3  -2.230  -1.294   2.530
  105    H5   WMH 101           HD       PRG  11   0.690   1.911   4.118
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -7.562  -1.082   0.776
    2    HA2  GLY   1          2HA       GLY   1  -7.256  -3.235   1.853
    3    HA3  GLY   1          1HA       GLY   1  -8.228  -3.946   0.575
    4    H    LYS   2           H        LYS   2  -5.961  -1.552  -0.364
    5    HA   LYS   2           HA       LYS   2  -4.283  -3.652  -1.529
    6    HB2  LYS   2          2HB       LYS   2  -5.334  -2.040  -3.107
    7    HB3  LYS   2          1HB       LYS   2  -4.512  -0.725  -2.290
    8    HG2  LYS   2          2HG       LYS   2  -2.356  -1.685  -2.951
    9    HG3  LYS   2          1HG       LYS   2  -3.206  -2.974  -3.807
   10    HD2  LYS   2          2HD       LYS   2  -4.286  -1.266  -5.235
   11    HD3  LYS   2          1HD       LYS   2  -3.357  -0.018  -4.406
   12    HE2  LYS   2          2HE       LYS   2  -2.189  -2.319  -5.977
   13    HE3  LYS   2          1HE       LYS   2  -2.354  -0.670  -6.567
   14    HZ1  LYS   2          1HZ       LYS   2  -0.796   0.055  -4.851
   15    HZ2  LYS   2          2HZ       LYS   2  -0.103  -1.184  -5.759
   16    HZ3  LYS   2          3HZ       LYS   2  -0.713  -1.507  -4.239
   17    H    ALA   3           H        AZH   3  -2.451  -4.045  -0.473
   18    HA   ALA   3           HA       AZH   3  -0.908  -1.839   0.594
   19    HB1  ALA   3          1HB       AZH   3  -0.320  -3.694   2.445
   20    HB2  ALA   3          2HB       AZH   3  -1.997  -4.113   2.119
   21    H    LEU   4           H        LEU   4   1.097  -1.881   0.160
   22    HA   LEU   4           HA       LEU   4   2.408  -4.362  -0.629
   23    HB2  LEU   4          2HB       LEU   4   1.917  -2.975  -2.629
   24    HB3  LEU   4          1HB       LEU   4   2.722  -1.618  -1.870
   25    HG   LEU   4           HG       LEU   4   4.851  -2.898  -1.944
   26   HD11  LEU   4          1HD1      LEU   4   3.247  -4.859  -3.568
   27   HD12  LEU   4          2HD1      LEU   4   3.945  -5.150  -1.976
   28   HD13  LEU   4          3HD1      LEU   4   4.997  -4.876  -3.363
   29   HD21  LEU   4          1HD2      LEU   4   3.449  -2.509  -4.583
   30   HD22  LEU   4          2HD2      LEU   4   5.193  -2.644  -4.358
   31   HD23  LEU   4          3HD2      LEU   4   4.318  -1.275  -3.672
   32    H    PHE   5           H        PHE   5   4.207  -4.626   0.616
   33    HA   PHE   5           HA       PHE   5   4.946  -2.354   2.246
   34    HB2  PHE   5          2HB       PHE   5   4.619  -4.573   3.375
   35    HB3  PHE   5          1HB       PHE   5   5.998  -5.191   2.476
   36    HD1  PHE   5          1HD       PHE   5   5.065  -2.429   4.802
   37    HD2  PHE   5          2HD       PHE   5   8.103  -5.082   3.445
   38    HE1  PHE   5          1HE       PHE   5   6.567  -1.608   6.573
   39    HE2  PHE   5          2HE       PHE   5   9.609  -4.269   5.214
   40    HZ   PHE   5           HZ       PHE   5   8.841  -2.528   6.778
   41    H    SER   6           H        SER   6   5.714  -1.211   0.516
   42    HA   SER   6           HA       SER   6   8.363  -1.954  -0.413
   43    HB2  SER   6          2HB       SER   6   7.736  -0.286  -2.225
   44    HB3  SER   6          1HB       SER   6   6.824  -1.796  -2.228
   45    HG   SER   6           HG       SER   6   5.720   0.452  -2.289
   46    H    ASN   7           H        ASN   7   9.297   0.529  -1.110
   47    HA   ASN   7           HA       ASN   7   8.881   2.160   1.284
   48    HB2  ASN   7          2HB       ASN   7  11.173   1.243   1.242
   49    HB3  ASN   7          1HB       ASN   7  11.415   1.909  -0.369
   50   HD21  ASN   7          1HD2      ASN   7  11.136   2.645   2.999
   51   HD22  ASN   7          2HD2      ASN   7  11.751   4.250   2.932
   52    HA   PRO   8           HA       PRO   8   8.173   3.840   1.940
   53    HB2  PRO   8          2HB       PRO   8   6.054   5.503   1.885
   54    HB3  PRO   8          1HB       PRO   8   7.711   6.114   1.797
   55    HG2  PRO   8          2HG       PRO   8   5.734   5.675  -0.409
   56    HG3  PRO   8          1HG       PRO   8   6.818   7.051  -0.145
   57    HD2  PRO   8          2HD       PRO   8   7.349   5.029  -1.900
   58    HD3  PRO   8          1HD       PRO   8   8.611   5.967  -1.082
   59    HA   PRO   9           HA       PRO   9   4.890   0.773   1.689
   60    HB2  PRO   9          2HB       PRO   9   4.032   1.562   4.401
   61    HB3  PRO   9          1HB       PRO   9   4.668   0.013   3.847
   62    HG2  PRO   9          2HG       PRO   9   6.116   1.655   5.411
   63    HG3  PRO   9          1HG       PRO   9   6.866   0.647   4.163
   64    HD2  PRO   9          2HD       PRO   9   6.225   3.570   4.109
   65    HD3  PRO   9          1HD       PRO   9   7.656   2.708   3.499
   66    H    ILE  10           H        ILE  10   3.241   1.325   0.417
   67    HA   ILE  10           HA       ILE  10   1.490   3.505   1.286
   68    HB   ILE  10           HB       ILE  10   2.023   2.527  -1.537
   69   HG12  ILE  10          2HG1      ILE  10   3.857   3.880  -0.649
   70   HG13  ILE  10          1HG1      ILE  10   2.997   4.764  -1.903
   71   HG21  ILE  10          1HG2      ILE  10   0.204   4.750  -0.615
   72   HG22  ILE  10          2HG2      ILE  10  -0.305   3.212  -1.308
   73   HG23  ILE  10          3HG2      ILE  10   0.589   4.369  -2.294
   74   HD11  ILE  10          1HD1      ILE  10   1.829   6.047  -0.151
   75   HD12  ILE  10          2HD1      ILE  10   3.579   6.230  -0.073
   76   HD13  ILE  10          3HD1      ILE  10   2.756   5.183   1.077
   77    H    ALA  11           H        PRG  11  -0.391   2.935   1.991
   78    HA   ALA  11           HA       PRG  11  -1.623   0.493   0.956
   79    HB1  ALA  11          1HB       PRG  11  -2.698   0.184   3.111
   80    HB2  ALA  11          2HB       PRG  11  -1.878   1.550   3.801
   81    H    PHE  12           H        PHE  12  -3.788   0.540   0.685
   82    HA   PHE  12           HA       PHE  12  -5.034   3.200   0.647
   83    HB2  PHE  12          2HB       PHE  12  -5.418   0.916  -1.305
   84    HB3  PHE  12          1HB       PHE  12  -6.299   2.433  -1.333
   85    HD1  PHE  12          1HD       PHE  12  -5.298   4.428  -2.183
   86    HD2  PHE  12          2HD       PHE  12  -3.066   0.818  -1.960
   87    HE1  PHE  12          1HE       PHE  12  -3.581   5.397  -3.657
   88    HE2  PHE  12          2HE       PHE  12  -1.356   1.777  -3.423
   89    HZ   PHE  12           HZ       PHE  12  -1.610   4.066  -4.278
   90    HA   PRO  13           HA       PRO  13  -8.049   1.301   3.301
   91    HB2  PRO  13          2HB       PRO  13 -10.141   2.990   2.857
   92    HB3  PRO  13          1HB       PRO  13  -8.752   3.408   3.863
   93    HG2  PRO  13          2HG       PRO  13  -9.319   4.136   1.017
   94    HG3  PRO  13          1HG       PRO  13  -8.664   5.142   2.319
   95    HD2  PRO  13          2HD       PRO  13  -7.099   4.057   0.416
   96    HD3  PRO  13          1HD       PRO  13  -6.537   4.288   2.084
   97    H    ASN  14           H        ASN  14  -8.079   0.916   0.128
   98    HA   ASN  14           HA       ASN  14 -10.718  -0.275  -0.037
   99    HB2  ASN  14          2HB       ASN  14 -10.181  -0.705  -2.448
  100    HB3  ASN  14          1HB       ASN  14 -10.090   0.992  -2.018
  101   HD21  ASN  14          1HD2      ASN  14  -8.768   1.516  -3.700
  102   HD22  ASN  14          2HD2      ASN  14  -7.126   1.014  -3.844
  103    H1   WMH 101          1HG       AZH   3  -2.339  -2.488   3.808
  104    H2   WMH 101          2HG       AZH   3  -2.332  -1.577   2.344
  105    H5   WMH 101           HD       PRG  11   0.879   1.313   4.052