*HEADER    TOXIN                                   12-FEB-18   6CEI              
*TITLE     SOLUTION NMR STRUCTURE OF CONOTOXIN G117 FROM CONUS GEOGRAPHUS        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: G117;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 46-77;                                        
*COMPND   5 SYNONYM: G117 VD SUPERFAMILY I3 PRECURSOR CONOPEPTIDE;               
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS;                               
*SOURCE   4 ORGANISM_COMMON: GEOGRAPHY CONE;                                     
*SOURCE   5 ORGANISM_TAXID: 6491                                                 
*KEYWDS    CONOTOXIN CONUS GEOGRAPHUS DISULFIDE-RICH PEPTIDE INHIBITOR CYSTINE   
*KEYWDS   2 KNOT, TOXIN                                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    D.A.ARMSTRONG,K.J.ROSENGREN                                           
*REVDAT   1   07-MAR-18 6CEI    0                                                
# Restraints file 1: restraints.tbl
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0 -115.4   43.6 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  145.6   29.7 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -108.9   44.6 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  160.9   23.3 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -60.1   30.0 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -21.7   20.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -138.6   20.6 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  157.4   20.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0 -136.1   62.4 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  161.7   20.1 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -61.1   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -29.7   22.9 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -73.2   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -16.7   20.4 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -85.1   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -15.4   20.7 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -128.0   70.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  148.4   39.8 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -120.8   65.2 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  154.6   29.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -94.8   35.7 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -96.7   44.3 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  137.8   20.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0 -149.5   26.3 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  163.9   20.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0 -121.5   38.3 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  138.6   20.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0 -111.2   29.7 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0 -129.6   33.9 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  141.2   25.7 2
assign (resid   23 and name C    ) (resid   24 and name N    )
       (resid   24 and name CA   ) (resid   24 and name C    )    1.0  -79.2   20.9 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name C    ) (resid   25 and name N    )    1.0  129.9   20.0 2
assign (resid   24 and name C    ) (resid   25 and name N    )
       (resid   25 and name CA   ) (resid   25 and name C    )    1.0 -124.1   30.3 2
assign (resid   25 and name N    ) (resid   25 and name CA   )
       (resid   25 and name C    ) (resid   26 and name N    )    1.0  135.3   32.1 2
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -80.1   21.7 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  131.2   20.3 2
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0 -117.5   48.9 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  153.4   36.9 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0 -109.2   55.9 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  131.2   49.1 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0  -92.4   55.9 2
assign (resid    1 and name N    ) (resid    1 and name CA   )
       (resid    1 and name CB   ) (resid    1 and name SG   )    1.0   60.0   30.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name CB   ) (resid    6 and name CG   )    1.0  -60.0   30.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name SG   )    1.0   60.0   30.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name CB   ) (resid   11 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 SG   )    1.0  -60.0   30.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name CB   ) (resid   15 and name SG   )    1.0  -60.0   30.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name CB   ) (resid   17 and name OG   )    1.0   60.0   30.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG   )    1.0  -60.0   30.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name CB   ) (resid   19 and name SG   )    1.0  -60.0   30.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name CB   ) (resid   20 and name SG   )    1.0  180.0   30.0 2
assign (resid   24 and name N    ) (resid   24 and name CA   )
       (resid   24 and name CB   ) (resid   24 and name SG   )    1.0  -60.0   30.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name CB   ) (resid   26 and name CG   )    1.0  180.0   30.0 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name CB   ) (resid   31 and name SG   )    1.0   60.0   30.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name CB   ) (resid   32 and name CG   )    1.0  -60.0   30.0 2

!Hbonds based on slow exchange
assign (resid    3 and name HN   ) ((resid    6 and name OE1) or (resid 6 and name OE2))    2.30    2.30    0.00
assign (resid    3 and name N    ) ((resid    6 and name OE1) or (resid 6 and name OE2))    3.30    3.30    0.00
assign (resid    8 and name HN   ) (resid   22 and name O    )    2.30    2.30    0.00
assign (resid    8 and name N    ) (resid   22 and name O    )    3.30    3.30    0.00
assign (resid   13 and name HN   ) (resid   10 and name O    )    2.30    2.30    0.00
assign (resid   13 and name N    ) (resid   10 and name O    )    3.30    3.30    0.00
assign (resid   14 and name HN   ) (resid   11 and name O    )    2.30    2.30    0.00
assign (resid   14 and name N    ) (resid   11 and name O    )    3.30    3.30    0.00
assign (resid   18 and name HN   ) (resid   15 and name O    )    2.30    2.30    0.00
assign (resid   18 and name N    ) (resid   15 and name O    )    3.30    3.30    0.00
assign (resid   19 and name HN   ) (resid   25 and name O    )    2.30    2.30    0.00
assign (resid   19 and name N    ) (resid   25 and name O    )    3.30    3.30    0.00
assign (resid   20 and name HN   ) ((resid   11 and name OD1) or (resid   11 and name OD2))  2.30    2.30    0.00
assign (resid   20 and name N    ) ((resid   11 and name OD1) or (resid   11 and name OD2))  3.30    2.30    0.00
assign (resid   21 and name HN   ) (resid   23 and name O    )    2.30    2.30    0.00
assign (resid   21 and name N    ) (resid   23 and name O    )    3.30    3.30    0.00
assign (resid   23 and name HN   ) (resid   21 and name O    )    2.30    2.30    0.00
assign (resid   23 and name N    ) (resid   21 and name O    )    3.30    3.30    0.00
assign (resid   24 and name HN   ) (resid    6 and name O    )    2.30    2.30    0.00
assign (resid   24 and name N    ) (resid    6 and name O    )    3.30    3.30    0.00
assign (resid   25 and name HN   ) (resid   19 and name O    )    2.30    2.30    0.00
assign (resid   25 and name N    ) (resid   19 and name O    )    3.30    3.30    0.00
!Additional Hbonds based on Temp coefficients
assign (resid    2 and name HN   ) (resid   13 and name O    )    2.30    2.30    0.00
assign (resid    2 and name N    ) (resid   13 and name O    )    3.30    3.30    0.00
assign (resid    5 and name HN   ) (resid   24 and name O    )    2.30    2.30    0.00
assign (resid    5 and name N    ) (resid   24 and name O    )    3.30    3.30    0.00
assign (resid    6 and name HN   ) (resid    3 and name O    )    2.30    2.30    0.00
assign (resid    6 and name N    ) (resid    3 and name O    )    3.30    3.30    0.00
assign (resid    9 and name HN   ) ((resid   13 and name OD1) or (resid   13 and name OD2))  2.30    2.30    0.00
assign (resid    9 and name N    ) ((resid   13 and name OD1) or (resid   13 and name OD2))  3.30    3.30    0.00
!Asp 10?
assign (resid   12 and name HN   ) ((resid   10 and name OD1) or (resid   10 and name OD2))  2.30    2.30    0.00
assign (resid   12 and name N    ) ((resid   10 and name OD1) or (resid   10 and name OD2))  3.30    3.30    0.00
assign (resid   15 and name HN   ) (resid    2 and name O    )    2.30    2.30    0.00
assign (resid   15 and name N    ) (resid    2 and name O    )    3.30    3.30    0.00
!Lys 32?

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           HT1      CYS   1  -7.106   5.630   6.631
    2    H2   CYS   1           HT2      CYS   1  -5.654   6.367   7.087
    3    H3   CYS   1           HT3      CYS   1  -6.085   4.858   7.747
    4    HA   CYS   1           HA       CYS   1  -5.470   5.440   4.931
    5    HB2  CYS   1           HB2      CYS   1  -3.532   3.900   5.395
    6    HB3  CYS   1           HB1      CYS   1  -3.441   5.438   6.236
    7    H    ALA   2           H        ALA   2  -5.267   3.431   3.645
    8    HA   ALA   2           HA       ALA   2  -7.393   1.567   4.291
    9    HB1  ALA   2           HB1      ALA   2  -7.066   0.775   1.995
   10    HB2  ALA   2           HB2      ALA   2  -5.685   1.861   1.818
   11    HB3  ALA   2           HB3      ALA   2  -7.307   2.518   2.053
   12    H    VAL   3           H        VAL   3  -7.083  -0.612   4.515
   13    HA   VAL   3           HA       VAL   3  -4.417  -1.277   5.489
   14    HB   VAL   3           HB       VAL   3  -5.430  -3.278   6.479
   15   HG11  VAL   3          HG11      VAL   3  -6.992  -0.771   7.067
   16   HG12  VAL   3          HG12      VAL   3  -5.449  -1.238   7.783
   17   HG13  VAL   3          3HG1      VAL   3  -6.898  -2.190   8.111
   18   HG21  VAL   3          HG21      VAL   3  -7.981  -2.299   5.204
   19   HG22  VAL   3          HG22      VAL   3  -7.888  -3.616   6.380
   20   HG23  VAL   3          HG23      VAL   3  -7.106  -3.769   4.801
   21    H    THR   4           H        THR   4  -4.071  -3.842   5.162
   22    HA   THR   4           HA       THR   4  -3.144  -4.196   2.606
   23    HB   THR   4           HB       THR   4  -3.963  -6.431   4.472
   24    HG1  THR   4           HG1      THR   4  -1.603  -6.008   5.102
   25   HG21  THR   4          HG21      THR   4  -1.977  -7.529   3.507
   26   HG22  THR   4          HG22      THR   4  -1.688  -6.105   2.504
   27   HG23  THR   4          HG23      THR   4  -3.130  -7.082   2.247
   28    H    HIS   5           H        HIS   5  -4.047  -4.749   0.778
   29    HA   HIS   5           HA       HIS   5  -5.300  -5.666  -0.787
   30    HB2  HIS   5           HB2      HIS   5  -6.790  -7.082   1.425
   31    HB3  HIS   5           HB1      HIS   5  -7.159  -7.301  -0.280
   32    HD1  HIS   5           HD1      HIS   5  -5.253  -8.839   2.325
   33    HD2  HIS   5           HD2      HIS   5  -4.663  -8.166  -1.730
   34    HE1  HIS   5           HE1      HIS   5  -3.463 -10.452   1.602
   35    H    GLU   6           H        GLU   6  -6.414  -3.380   1.280
   36    HA   GLU   6           HA       GLU   6  -8.932  -3.013  -0.091
   37    HB2  GLU   6           HB2      GLU   6  -7.380  -1.310   1.843
   38    HB3  GLU   6           HB1      GLU   6  -8.824  -0.703   1.024
   39    HG2  GLU   6           HG2      GLU   6  -9.953  -2.723   2.093
   40    HG3  GLU   6           HG1      GLU   6  -8.496  -2.827   3.090
   41    H    LYS   7           H        LYS   7  -9.323  -1.166  -1.490
   42    HA   LYS   7           HA       LYS   7  -7.196  -0.820  -3.320
   43    HB2  LYS   7           HB2      LYS   7  -9.950   0.333  -3.148
   44    HB3  LYS   7           HB1      LYS   7  -8.776   1.050  -4.238
   45    HG2  LYS   7           HG2      LYS   7 -10.135  -0.494  -5.454
   46    HG3  LYS   7           HG1      LYS   7  -8.503  -1.140  -5.336
   47    HD2  LYS   7           HD2      LYS   7  -9.276  -2.581  -3.466
   48    HD3  LYS   7           HD1      LYS   7 -10.910  -1.969  -3.722
   49    HE2  LYS   7           HE2      LYS   7  -9.238  -3.465  -5.739
   50    HE3  LYS   7           HE1      LYS   7 -10.601  -4.114  -4.832
   51    HZ1  LYS   7           HZ1      LYS   7 -11.217  -3.455  -7.102
   52    HZ2  LYS   7           HZ2      LYS   7 -10.754  -1.882  -6.790
   53    HZ3  LYS   7           HZ3      LYS   7 -12.058  -2.536  -5.966
   54    H    CYS   8           H        CYS   8  -6.063   1.020  -3.834
   55    HA   CYS   8           HA       CYS   8  -5.821   2.847  -1.562
   56    HB2  CYS   8           HB2      CYS   8  -3.443   3.034  -2.297
   57    HB3  CYS   8           HB1      CYS   8  -3.904   1.451  -1.678
   58    H    SER   9           H        SER   9  -5.794   4.956  -1.958
   59    HA   SER   9           HA       SER   9  -6.398   5.870  -4.600
   60    HB2  SER   9           HB2      SER   9  -5.884   7.370  -2.022
   61    HB3  SER   9           HB1      SER   9  -6.579   8.057  -3.494
   62    HG   SER   9           HG       SER   9  -8.372   7.501  -2.595
   63    H    ASP  10           H        ASP  10  -3.687   5.936  -2.303
   64    HA   ASP  10           HA       ASP  10  -1.806   6.132  -4.405
   65    HB2  ASP  10           HB2      ASP  10  -0.717   8.136  -3.785
   66    HB3  ASP  10           HB1      ASP  10  -2.414   8.571  -3.896
   67    H    ASP  11           H        ASP  11   0.475   6.362  -3.127
   68    HA   ASP  11           HA       ASP  11   0.650   3.929  -1.679
   69    HB2  ASP  11           HB2      ASP  11   2.719   6.098  -1.991
   70    HB3  ASP  11           HB1      ASP  11   3.029   4.514  -1.294
   71    H    TYR  12           H        TYR  12   0.562   7.252  -0.577
   72    HA   TYR  12           HA       TYR  12   1.286   6.428   2.094
   73    HB2  TYR  12           HB2      TYR  12   0.762   9.114   0.849
   74    HB3  TYR  12           HB1      TYR  12   0.997   8.912   2.581
   75    HD1  TYR  12           HD1      TYR  12   2.625   8.775  -0.705
   76    HD2  TYR  12           HD2      TYR  12   3.167   8.329   3.480
   77    HE1  TYR  12           HE1      TYR  12   5.067   8.822  -1.023
   78    HE2  TYR  12           HE2      TYR  12   5.596   8.377   3.179
   79    HH   TYR  12           HH       TYR  12   7.040   9.356   0.294
   80    H    ASP  13           H        ASP  13  -1.364   6.307   0.362
   81    HA   ASP  13           HA       ASP  13  -3.315   7.004   2.371
   82    HB2  ASP  13           HB2      ASP  13  -3.903   7.366   0.069
   83    HB3  ASP  13           HB1      ASP  13  -3.439   5.735  -0.362
   84    H    CYS  14           H        CYS  14  -1.308   4.409   1.637
   85    HA   CYS  14           HA       CYS  14  -3.035   2.390   2.803
   86    HB2  CYS  14           HB2      CYS  14  -0.264   2.208   1.631
   87    HB3  CYS  14           HB1      CYS  14  -1.233   0.844   2.191
   88    H    CYS  15           H        CYS  15  -2.657   1.344   4.701
   89    HA   CYS  15           HA       CYS  15  -1.250   2.736   6.757
   90    HB2  CYS  15           HB2      CYS  15  -2.465  -0.036   6.791
   91    HB3  CYS  15           HB1      CYS  15  -1.986   0.902   8.199
   92    H    GLY  16           H        GLY  16   0.337   1.641   8.190
   93    HA2  GLY  16           HA2      GLY  16   2.303   0.584   8.609
   94    HA3  GLY  16           HA1      GLY  16   1.759  -0.657   7.494
   95    H    SER  17           H        SER  17   3.563  -1.032   6.369
   96    HA   SER  17           HA       SER  17   4.863   1.241   5.073
   97    HB2  SER  17           HB2      SER  17   6.762  -0.347   4.787
   98    HB3  SER  17           HB1      SER  17   6.348  -0.077   6.480
   99    HG   SER  17           HG       SER  17   5.795  -2.078   6.676
  100    H    LEU  18           H        LEU  18   2.345  -0.156   4.350
  101    HA   LEU  18           HA       LEU  18   2.882  -1.739   2.017
  102    HB2  LEU  18           HB2      LEU  18   0.333  -0.393   2.884
  103    HB3  LEU  18           HB1      LEU  18   0.477  -1.627   1.653
  104    HG   LEU  18           HG       LEU  18   0.942  -1.998   4.608
  105   HD11  LEU  18          HD11      LEU  18  -1.095  -3.345   4.491
  106   HD12  LEU  18          HD12      LEU  18  -1.289  -2.880   2.801
  107   HD13  LEU  18          HD13      LEU  18  -1.380  -1.658   4.069
  108   HD21  LEU  18          HD21      LEU  18   1.048  -4.397   4.067
  109   HD22  LEU  18          HD22      LEU  18   2.364  -3.487   3.334
  110   HD23  LEU  18          HD23      LEU  18   0.993  -4.002   2.346
  111    H    CYS  19           H        CYS  19   2.240  -1.099  -0.127
  112    HA   CYS  19           HA       CYS  19   2.367   1.772  -0.566
  113    HB2  CYS  19           HB2      CYS  19   3.696  -0.444  -2.146
  114    HB3  CYS  19           HB1      CYS  19   3.666   1.254  -2.616
  115    H    CYS  20           H        CYS  20   1.669   2.080  -3.029
  116    HA   CYS  20           HA       CYS  20  -0.935   0.755  -3.136
  117    HB2  CYS  20           HB2      CYS  20  -0.922   3.195  -2.935
  118    HB3  CYS  20           HB1      CYS  20   0.030   3.306  -4.410
  119    H    VAL  21           H        VAL  21  -1.074  -0.823  -4.482
  120    HA   VAL  21           HA       VAL  21  -0.192  -0.385  -7.171
  121    HB   VAL  21           HB       VAL  21   1.655  -1.711  -6.252
  122   HG11  VAL  21          HG11      VAL  21  -0.364  -3.772  -5.410
  123   HG12  VAL  21          HG12      VAL  21   0.600  -2.740  -4.356
  124   HG13  VAL  21          3HG1      VAL  21   1.390  -3.965  -5.348
  125   HG21  VAL  21          HG21      VAL  21   1.631  -3.657  -7.762
  126   HG22  VAL  21          HG22      VAL  21   1.063  -2.187  -8.555
  127   HG23  VAL  21          HG23      VAL  21  -0.095  -3.409  -8.029
  128    H    GLY  22           H        GLY  22  -2.416   0.187  -7.013
  129    HA2  GLY  22           HA2      GLY  22  -4.577  -0.294  -7.769
  130    HA3  GLY  22           HA1      GLY  22  -4.187  -2.017  -7.702
  131    H    ILE  23           H        ILE  23  -3.426  -2.511  -5.356
  132    HA   ILE  23           HA       ILE  23  -5.381  -1.530  -3.424
  133    HB   ILE  23           HB       ILE  23  -5.326  -3.798  -2.391
  134   HG12  ILE  23          HG12      ILE  23  -3.851  -4.602  -4.919
  135   HG13  ILE  23          HG11      ILE  23  -3.162  -4.551  -3.303
  136   HG21  ILE  23          HG21      ILE  23  -7.183  -3.210  -3.823
  137   HG22  ILE  23          HG22      ILE  23  -6.783  -4.916  -4.024
  138   HG23  ILE  23          HG23      ILE  23  -6.289  -3.744  -5.246
  139   HD11  ILE  23          HD11      ILE  23  -5.375  -6.373  -4.228
  140   HD12  ILE  23          HD12      ILE  23  -4.690  -6.323  -2.605
  141   HD13  ILE  23          HD13      ILE  23  -3.690  -6.827  -3.966
  142    H    CYS  24           H        CYS  24  -4.571  -1.785  -1.214
  143    HA   CYS  24           HA       CYS  24  -1.872  -0.932  -1.006
  144    HB2  CYS  24           HB2      CYS  24  -3.906  -1.655   1.098
  145    HB3  CYS  24           HB1      CYS  24  -2.309  -1.005   1.449
  146    H    ALA  25           H        ALA  25  -0.285  -2.204  -1.243
  147    HA   ALA  25           HA       ALA  25  -0.160  -4.707   0.187
  148    HB1  ALA  25           HB1      ALA  25  -1.120  -5.342  -1.968
  149    HB2  ALA  25           HB2      ALA  25   0.540  -5.925  -1.823
  150    HB3  ALA  25           HB3      ALA  25   0.187  -4.504  -2.807
  151    H    LYS  26           H        LYS  26   2.019  -5.359   0.382
  152    HA   LYS  26           HA       LYS  26   3.832  -3.121   0.171
  153    HB2  LYS  26           HB2      LYS  26   3.708  -4.614   2.197
  154    HB3  LYS  26           HB1      LYS  26   4.447  -5.871   1.211
  155    HG2  LYS  26           HG2      LYS  26   6.365  -4.482   0.808
  156    HG3  LYS  26           HG1      LYS  26   5.610  -3.166   1.703
  157    HD2  LYS  26           HD2      LYS  26   5.614  -4.569   3.709
  158    HD3  LYS  26           HD1      LYS  26   6.467  -5.824   2.794
  159    HE2  LYS  26           HE2      LYS  26   8.061  -4.500   4.045
  160    HE3  LYS  26           HE1      LYS  26   8.230  -4.248   2.299
  161    HZ1  LYS  26           HZ1      LYS  26   8.372  -2.199   3.529
  162    HZ2  LYS  26           HZ2      LYS  26   6.834  -2.406   4.165
  163    HZ3  LYS  26           HZ3      LYS  26   7.039  -2.157   2.496
  164    H    THR  27           H        THR  27   5.114  -2.792  -1.445
  165    HA   THR  27           HA       THR  27   5.330  -4.695  -3.556
  166    HB   THR  27           HB       THR  27   6.617  -2.653  -4.503
  167    HG1  THR  27           HG1      THR  27   6.936  -1.173  -2.963
  168   HG21  THR  27          HG21      THR  27   3.700  -2.403  -3.722
  169   HG22  THR  27          HG22      THR  27   4.305  -3.246  -5.147
  170   HG23  THR  27          HG23      THR  27   4.497  -1.499  -5.008
  171    H    ILE  28           H        ILE  28   7.829  -4.246  -4.566
  172    HA   ILE  28           HA       ILE  28   9.539  -5.556  -2.635
  173    HB   ILE  28           HB       ILE  28  10.188  -4.647  -5.467
  174   HG12  ILE  28          HG12      ILE  28   8.370  -6.280  -5.513
  175   HG13  ILE  28          HG11      ILE  28   9.845  -6.997  -6.141
  176   HG21  ILE  28          HG21      ILE  28  11.643  -6.593  -3.677
  177   HG22  ILE  28          HG22      ILE  28  12.190  -4.978  -4.121
  178   HG23  ILE  28          HG23      ILE  28  12.058  -6.233  -5.354
  179   HD11  ILE  28          HD11      ILE  28   8.684  -7.438  -3.392
  180   HD12  ILE  28          HD12      ILE  28  10.182  -8.145  -3.995
  181   HD13  ILE  28          HD13      ILE  28   8.643  -8.571  -4.743
  182    H    ALA  29           H        ALA  29   9.345  -2.519  -4.367
  183    HA   ALA  29           HA       ALA  29  11.597  -1.405  -2.935
  184    HB1  ALA  29           HB1      ALA  29  11.307  -0.866  -5.322
  185    HB2  ALA  29           HB2      ALA  29  11.211   0.575  -4.316
  186    HB3  ALA  29           HB3      ALA  29   9.739  -0.150  -4.955
  187    HA   PRO  30           HA       PRO  30   8.837   0.353   0.071
  188    HB2  PRO  30           HB2      PRO  30  10.621   1.893   1.369
  189    HB3  PRO  30           HB1      PRO  30  10.573   0.137   1.570
  190    HG2  PRO  30           HG2      PRO  30  12.456   1.818  -0.010
  191    HG3  PRO  30           HG1      PRO  30  12.763   0.315   0.875
  192    HD2  PRO  30           HD2      PRO  30  12.413   0.506  -1.868
  193    HD3  PRO  30           HD1      PRO  30  12.208  -0.973  -0.909
  194    H    CYS  31           H        CYS  31   7.426   1.742  -0.811
  195    HA   CYS  31           HA       CYS  31   8.101   4.000  -2.363
  196    HB2  CYS  31           HB2      CYS  31   5.663   4.522  -2.088
  197    HB3  CYS  31           HB1      CYS  31   5.995   2.891  -2.672
  198    H    LYS  32           H        LYS  32   7.590   3.472   1.009
  199    HA   LYS  32           HA       LYS  32   7.517   6.319   1.580
  200    HB2  LYS  32           HB2      LYS  32   7.200   3.959   3.440
  201    HB3  LYS  32           HB1      LYS  32   6.920   5.646   3.845
  202    HG2  LYS  32           HG2      LYS  32   5.082   5.709   2.205
  203    HG3  LYS  32           HG1      LYS  32   5.339   3.993   1.886
  204    HD2  LYS  32           HD2      LYS  32   4.886   3.513   4.254
  205    HD3  LYS  32           HD1      LYS  32   4.585   5.232   4.519
  206    HE2  LYS  32           HE2      LYS  32   2.766   5.115   2.836
  207    HE3  LYS  32           HE1      LYS  32   3.020   3.372   2.735
  208    HZ1  LYS  32           HZ1      LYS  32   2.228   4.902   5.132
  209    HZ2  LYS  32           HZ2      LYS  32   2.539   3.259   5.147
  210    HZ3  LYS  32           HZ3      LYS  32   1.219   3.870   4.267
  Start of MODEL    2
    1    H1   CYS   1           HT1      CYS   1  -7.018   5.197   6.744
    2    H2   CYS   1           HT2      CYS   1  -5.631   5.965   7.359
    3    H3   CYS   1           HT3      CYS   1  -6.064   4.406   7.870
    4    HA   CYS   1           HA       CYS   1  -5.316   5.103   5.125
    5    HB2  CYS   1           HB2      CYS   1  -3.273   3.783   5.624
    6    HB3  CYS   1           HB1      CYS   1  -3.394   5.232   6.615
    7    H    ALA   2           H        ALA   2  -5.252   3.295   3.734
    8    HA   ALA   2           HA       ALA   2  -7.223   1.300   4.382
    9    HB1  ALA   2           HB1      ALA   2  -5.599   1.751   1.879
   10    HB2  ALA   2           HB2      ALA   2  -7.214   2.387   2.191
   11    HB3  ALA   2           HB3      ALA   2  -6.967   0.649   2.037
   12    H    VAL   3           H        VAL   3  -6.828  -0.865   4.588
   13    HA   VAL   3           HA       VAL   3  -4.087  -1.497   5.328
   14    HB   VAL   3           HB       VAL   3  -4.967  -3.532   6.347
   15   HG11  VAL   3          HG11      VAL   3  -4.967  -1.499   7.665
   16   HG12  VAL   3          HG12      VAL   3  -6.318  -2.537   8.105
   17   HG13  VAL   3          3HG1      VAL   3  -6.592  -1.113   7.096
   18   HG21  VAL   3          HG21      VAL   3  -6.747  -4.074   4.792
   19   HG22  VAL   3          HG22      VAL   3  -7.632  -2.634   5.257
   20   HG23  VAL   3          HG23      VAL   3  -7.425  -3.951   6.421
   21    H    THR   4           H        THR   4  -3.774  -4.083   4.914
   22    HA   THR   4           HA       THR   4  -2.975  -4.292   2.278
   23    HB   THR   4           HB       THR   4  -3.589  -6.621   4.100
   24    HG1  THR   4           HG1      THR   4  -1.361  -6.169   4.820
   25   HG21  THR   4          HG21      THR   4  -1.588  -7.565   3.006
   26   HG22  THR   4          HG22      THR   4  -1.426  -6.082   2.057
   27   HG23  THR   4          HG23      THR   4  -2.820  -7.129   1.815
   28    H    HIS   5           H        HIS   5  -4.025  -4.805   0.486
   29    HA   HIS   5           HA       HIS   5  -5.405  -5.662  -0.991
   30    HB2  HIS   5           HB2      HIS   5  -6.646  -7.234   1.274
   31    HB3  HIS   5           HB1      HIS   5  -7.204  -7.351  -0.392
   32    HD1  HIS   5           HD1      HIS   5  -5.146  -9.184   1.832
   33    HD2  HIS   5           HD2      HIS   5  -4.750  -7.967  -2.125
   34    HE1  HIS   5           HE1      HIS   5  -3.390 -10.661   0.810
   35    H    GLU   6           H        GLU   6  -6.278  -3.445   1.215
   36    HA   GLU   6           HA       GLU   6  -8.900  -3.033   0.055
   37    HB2  GLU   6           HB2      GLU   6  -7.263  -1.409   2.003
   38    HB3  GLU   6           HB1      GLU   6  -8.775  -0.805   1.321
   39    HG2  GLU   6           HG2      GLU   6  -9.797  -2.906   2.332
   40    HG3  GLU   6           HG1      GLU   6  -8.272  -3.066   3.209
   41    H    LYS   7           H        LYS   7  -9.378  -1.197  -1.226
   42    HA   LYS   7           HA       LYS   7  -7.604  -0.699  -3.324
   43    HB2  LYS   7           HB2      LYS   7  -9.134   1.135  -3.953
   44    HB3  LYS   7           HB1      LYS   7  -9.969  -0.371  -3.607
   45    HG2  LYS   7           HG2      LYS   7 -10.552   0.465  -1.389
   46    HG3  LYS   7           HG1      LYS   7  -9.710   1.969  -1.745
   47    HD2  LYS   7           HD2      LYS   7 -11.229   2.432  -3.550
   48    HD3  LYS   7           HD1      LYS   7 -12.042   0.884  -3.297
   49    HE2  LYS   7           HE2      LYS   7 -13.323   2.654  -2.270
   50    HE3  LYS   7           HE1      LYS   7 -12.620   1.568  -1.061
   51    HZ1  LYS   7           HZ1      LYS   7 -10.931   3.172  -0.583
   52    HZ2  LYS   7           HZ2      LYS   7 -12.432   3.920  -0.448
   53    HZ3  LYS   7           HZ3      LYS   7 -11.476   4.195  -1.811
   54    H    CYS   8           H        CYS   8  -6.284   1.117  -3.849
   55    HA   CYS   8           HA       CYS   8  -5.656   2.783  -1.516
   56    HB2  CYS   8           HB2      CYS   8  -3.355   2.924  -2.393
   57    HB3  CYS   8           HB1      CYS   8  -3.823   1.277  -1.993
   58    H    SER   9           H        SER   9  -5.596   4.922  -1.773
   59    HA   SER   9           HA       SER   9  -6.428   6.013  -4.325
   60    HB2  SER   9           HB2      SER   9  -5.707   7.515  -1.806
   61    HB3  SER   9           HB1      SER   9  -6.804   8.017  -3.099
   62    HG   SER   9           HG       SER   9  -7.145   6.092  -1.091
   63    H    ASP  10           H        ASP  10  -3.615   5.881  -2.211
   64    HA   ASP  10           HA       ASP  10  -1.784   6.305  -4.269
   65    HB2  ASP  10           HB2      ASP  10  -0.651   8.278  -3.305
   66    HB3  ASP  10           HB1      ASP  10  -2.265   8.701  -3.855
   67    H    ASP  11           H        ASP  11   0.477   6.386  -3.080
   68    HA   ASP  11           HA       ASP  11   0.647   3.975  -1.613
   69    HB2  ASP  11           HB2      ASP  11   2.714   6.175  -1.797
   70    HB3  ASP  11           HB1      ASP  11   3.011   4.565  -1.166
   71    H    TYR  12           H        TYR  12   0.445   7.285  -0.562
   72    HA   TYR  12           HA       TYR  12   1.190   6.589   2.144
   73    HB2  TYR  12           HB2      TYR  12   0.498   9.275   0.930
   74    HB3  TYR  12           HB1      TYR  12   1.183   9.006   2.533
   75    HD1  TYR  12           HD1      TYR  12   3.508   8.136   2.754
   76    HD2  TYR  12           HD2      TYR  12   1.890   9.248  -1.018
   77    HE1  TYR  12           HE1      TYR  12   5.772   8.169   1.794
   78    HE2  TYR  12           HE2      TYR  12   4.148   9.283  -1.985
   79    HH   TYR  12           HH       TYR  12   6.783   7.881  -0.531
   80    H    ASP  13           H        ASP  13  -1.438   6.283   0.421
   81    HA   ASP  13           HA       ASP  13  -3.418   7.045   2.432
   82    HB2  ASP  13           HB2      ASP  13  -3.961   7.386   0.055
   83    HB3  ASP  13           HB1      ASP  13  -3.641   5.698  -0.276
   84    H    CYS  14           H        CYS  14  -1.394   4.503   1.653
   85    HA   CYS  14           HA       CYS  14  -3.051   2.407   2.805
   86    HB2  CYS  14           HB2      CYS  14  -0.295   2.313   1.571
   87    HB3  CYS  14           HB1      CYS  14  -1.254   0.922   2.079
   88    H    CYS  15           H        CYS  15  -2.414   1.239   4.620
   89    HA   CYS  15           HA       CYS  15  -1.082   2.714   6.671
   90    HB2  CYS  15           HB2      CYS  15  -1.970  -0.166   6.655
   91    HB3  CYS  15           HB1      CYS  15  -1.529   0.772   8.073
   92    H    GLY  16           H        GLY  16   0.812   2.220   7.764
   93    HA2  GLY  16           HA2      GLY  16   2.904   1.446   8.167
   94    HA3  GLY  16           HA1      GLY  16   2.303  -0.098   7.596
   95    H    SER  17           H        SER  17   3.851  -0.869   6.331
   96    HA   SER  17           HA       SER  17   5.382   0.895   4.625
   97    HB2  SER  17           HB2      SER  17   6.694  -1.235   4.278
   98    HB3  SER  17           HB1      SER  17   6.641  -0.635   5.937
   99    HG   SER  17           HG       SER  17   5.910  -2.530   6.409
  100    H    LEU  18           H        LEU  18   2.476  -0.075   4.093
  101    HA   LEU  18           HA       LEU  18   2.707  -1.725   1.741
  102    HB2  LEU  18           HB2      LEU  18   0.362  -0.164   2.786
  103    HB3  LEU  18           HB1      LEU  18   0.301  -1.336   1.488
  104    HG   LEU  18           HG       LEU  18   0.886  -1.909   4.390
  105   HD11  LEU  18          HD11      LEU  18  -1.412  -1.305   3.993
  106   HD12  LEU  18          HD12      LEU  18  -1.287  -3.043   4.296
  107   HD13  LEU  18          HD13      LEU  18  -1.496  -2.444   2.652
  108   HD21  LEU  18          HD21      LEU  18   0.574  -3.792   2.051
  109   HD22  LEU  18          HD22      LEU  18   0.723  -4.266   3.743
  110   HD23  LEU  18          HD23      LEU  18   2.069  -3.469   2.929
  111    H    CYS  19           H        CYS  19   2.206  -1.101  -0.350
  112    HA   CYS  19           HA       CYS  19   2.358   1.759  -0.885
  113    HB2  CYS  19           HB2      CYS  19   3.721  -0.506  -2.352
  114    HB3  CYS  19           HB1      CYS  19   3.670   1.157  -2.929
  115    H    CYS  20           H        CYS  20   1.588   2.179  -3.213
  116    HA   CYS  20           HA       CYS  20  -1.023   0.893  -3.335
  117    HB2  CYS  20           HB2      CYS  20  -0.942   3.314  -3.076
  118    HB3  CYS  20           HB1      CYS  20   0.010   3.450  -4.544
  119    H    VAL  21           H        VAL  21  -1.273  -0.648  -4.733
  120    HA   VAL  21           HA       VAL  21  -0.435  -0.205  -7.444
  121    HB   VAL  21           HB       VAL  21   1.364  -1.622  -6.550
  122   HG11  VAL  21          HG11      VAL  21  -0.738  -3.604  -5.744
  123   HG12  VAL  21          HG12      VAL  21   0.296  -2.651  -4.680
  124   HG13  VAL  21          3HG1      VAL  21   1.004  -3.891  -5.716
  125   HG21  VAL  21          HG21      VAL  21   0.783  -2.029  -8.863
  126   HG22  VAL  21          HG22      VAL  21  -0.454  -3.188  -8.380
  127   HG23  VAL  21          HG23      VAL  21   1.249  -3.550  -8.099
  128    H    GLY  22           H        GLY  22  -2.680   0.464  -7.146
  129    HA2  GLY  22           HA2      GLY  22  -4.865   0.086  -7.904
  130    HA3  GLY  22           HA1      GLY  22  -4.538  -1.650  -7.918
  131    H    ILE  23           H        ILE  23  -3.691  -2.180  -5.566
  132    HA   ILE  23           HA       ILE  23  -5.583  -1.243  -3.542
  133    HB   ILE  23           HB       ILE  23  -5.483  -3.557  -2.587
  134   HG12  ILE  23          HG12      ILE  23  -4.156  -4.272  -5.222
  135   HG13  ILE  23          HG11      ILE  23  -3.355  -4.233  -3.658
  136   HG21  ILE  23          HG21      ILE  23  -7.421  -2.923  -3.903
  137   HG22  ILE  23          HG22      ILE  23  -7.027  -4.619  -4.188
  138   HG23  ILE  23          HG23      ILE  23  -6.596  -3.401  -5.388
  139   HD11  ILE  23          HD11      ILE  23  -5.589  -6.076  -4.462
  140   HD12  ILE  23          HD12      ILE  23  -4.790  -6.044  -2.889
  141   HD13  ILE  23          HD13      ILE  23  -3.881  -6.499  -4.331
  142    H    CYS  24           H        CYS  24  -4.624  -1.660  -1.349
  143    HA   CYS  24           HA       CYS  24  -1.873  -0.872  -1.293
  144    HB2  CYS  24           HB2      CYS  24  -3.763  -1.618   0.943
  145    HB3  CYS  24           HB1      CYS  24  -2.164  -0.922   1.154
  146    H    ALA  25           H        ALA  25  -0.269  -2.212  -1.462
  147    HA   ALA  25           HA       ALA  25  -0.468  -4.865  -0.270
  148    HB1  ALA  25           HB1      ALA  25  -1.041  -5.154  -2.636
  149    HB2  ALA  25           HB2      ALA  25   0.521  -5.890  -2.272
  150    HB3  ALA  25           HB3      ALA  25   0.451  -4.336  -3.100
  151    H    LYS  26           H        LYS  26   1.635  -5.819   0.016
  152    HA   LYS  26           HA       LYS  26   3.578  -3.776   0.671
  153    HB2  LYS  26           HB2      LYS  26   3.008  -5.410   2.401
  154    HB3  LYS  26           HB1      LYS  26   3.472  -6.725   1.339
  155    HG2  LYS  26           HG2      LYS  26   5.169  -6.274   3.041
  156    HG3  LYS  26           HG1      LYS  26   5.785  -6.007   1.409
  157    HD2  LYS  26           HD2      LYS  26   5.446  -3.596   1.682
  158    HD3  LYS  26           HD1      LYS  26   4.829  -3.868   3.314
  159    HE2  LYS  26           HE2      LYS  26   7.181  -3.161   3.314
  160    HE3  LYS  26           HE1      LYS  26   6.971  -4.767   3.996
  161    HZ1  LYS  26           HZ1      LYS  26   8.873  -4.610   2.469
  162    HZ2  LYS  26           HZ2      LYS  26   7.840  -4.254   1.187
  163    HZ3  LYS  26           HZ3      LYS  26   7.743  -5.735   1.960
  164    H    THR  27           H        THR  27   4.941  -3.229  -0.902
  165    HA   THR  27           HA       THR  27   5.798  -5.156  -2.877
  166    HB   THR  27           HB       THR  27   6.836  -2.990  -3.799
  167    HG1  THR  27           HG1      THR  27   6.625  -1.274  -2.567
  168   HG21  THR  27          HG21      THR  27   4.717  -3.936  -4.666
  169   HG22  THR  27          HG22      THR  27   4.672  -2.173  -4.647
  170   HG23  THR  27          HG23      THR  27   3.833  -3.090  -3.398
  171    H    ILE  28           H        ILE  28   8.176  -5.171  -3.382
  172    HA   ILE  28           HA       ILE  28   9.774  -5.432  -1.014
  173    HB   ILE  28           HB       ILE  28  10.619  -5.533  -3.941
  174   HG12  ILE  28          HG12      ILE  28   9.942  -7.786  -2.034
  175   HG13  ILE  28          HG11      ILE  28   8.950  -7.245  -3.384
  176   HG21  ILE  28          HG21      ILE  28  12.079  -6.477  -1.465
  177   HG22  ILE  28          HG22      ILE  28  12.518  -5.099  -2.474
  178   HG23  ILE  28          HG23      ILE  28  12.610  -6.735  -3.127
  179   HD11  ILE  28          HD11      ILE  28  10.695  -7.941  -4.938
  180   HD12  ILE  28          HD12      ILE  28  10.158  -9.280  -3.923
  181   HD13  ILE  28          HD13      ILE  28  11.690  -8.475  -3.584
  182    H    ALA  29           H        ALA  29   9.372  -3.147  -3.605
  183    HA   ALA  29           HA       ALA  29  11.541  -1.468  -2.710
  184    HB1  ALA  29           HB1      ALA  29   9.465  -1.036  -4.856
  185    HB2  ALA  29           HB2      ALA  29  11.081  -1.697  -5.100
  186    HB3  ALA  29           HB3      ALA  29  10.882  -0.026  -4.570
  187    HA   PRO  30           HA       PRO  30   8.638   0.544   0.128
  188    HB2  PRO  30           HB2      PRO  30  10.909   2.231   0.815
  189    HB3  PRO  30           HB1      PRO  30  10.016   1.113   1.843
  190    HG2  PRO  30           HG2      PRO  30  12.558   0.637   1.050
  191    HG3  PRO  30           HG1      PRO  30  11.390  -0.657   1.350
  192    HD2  PRO  30           HD2      PRO  30  12.320   0.496  -1.239
  193    HD3  PRO  30           HD1      PRO  30  11.943  -1.187  -0.805
  194    H    CYS  31           H        CYS  31   7.299   2.005  -0.597
  195    HA   CYS  31           HA       CYS  31   8.108   4.072  -2.457
  196    HB2  CYS  31           HB2      CYS  31   5.641   4.515  -2.456
  197    HB3  CYS  31           HB1      CYS  31   6.088   2.870  -2.922
  198    H    LYS  32           H        LYS  32   7.706   3.732   0.891
  199    HA   LYS  32           HA       LYS  32   7.251   6.595   1.226
  200    HB2  LYS  32           HB2      LYS  32   7.044   4.389   3.280
  201    HB3  LYS  32           HB1      LYS  32   6.646   6.080   3.521
  202    HG2  LYS  32           HG2      LYS  32   4.838   5.876   1.887
  203    HG3  LYS  32           HG1      LYS  32   5.229   4.164   1.690
  204    HD2  LYS  32           HD2      LYS  32   4.805   3.808   4.071
  205    HD3  LYS  32           HD1      LYS  32   4.389   5.513   4.243
  206    HE2  LYS  32           HE2      LYS  32   2.577   5.198   2.616
  207    HE3  LYS  32           HE1      LYS  32   2.967   3.480   2.544
  208    HZ1  LYS  32           HZ1      LYS  32   1.158   3.885   4.113
  209    HZ2  LYS  32           HZ2      LYS  32   2.140   4.954   4.969
  210    HZ3  LYS  32           HZ3      LYS  32   2.548   3.338   4.910
  Start of MODEL    3
    1    H1   CYS   1           HT1      CYS   1  -6.530   4.427   7.761
    2    H2   CYS   1           HT2      CYS   1  -7.561   5.213   6.698
    3    H3   CYS   1           HT3      CYS   1  -6.189   6.018   7.293
    4    HA   CYS   1           HA       CYS   1  -5.872   5.291   5.047
    5    HB2  CYS   1           HB2      CYS   1  -3.799   3.911   5.463
    6    HB3  CYS   1           HB1      CYS   1  -3.894   5.387   6.412
    7    H    ALA   2           H        ALA   2  -5.365   3.332   3.695
    8    HA   ALA   2           HA       ALA   2  -7.450   1.354   4.076
    9    HB1  ALA   2           HB1      ALA   2  -7.240   2.443   1.891
   10    HB2  ALA   2           HB2      ALA   2  -6.920   0.715   1.767
   11    HB3  ALA   2           HB3      ALA   2  -5.582   1.863   1.757
   12    H    VAL   3           H        VAL   3  -7.037  -0.742   4.444
   13    HA   VAL   3           HA       VAL   3  -4.336  -1.292   5.383
   14    HB   VAL   3           HB       VAL   3  -5.273  -3.299   6.444
   15   HG11  VAL   3          HG11      VAL   3  -6.694  -2.191   8.103
   16   HG12  VAL   3          HG12      VAL   3  -6.837  -0.797   7.031
   17   HG13  VAL   3          3HG1      VAL   3  -5.267  -1.235   7.701
   18   HG21  VAL   3          HG21      VAL   3  -7.741  -3.649   6.453
   19   HG22  VAL   3          HG22      VAL   3  -6.993  -3.874   4.867
   20   HG23  VAL   3          HG23      VAL   3  -7.871  -2.395   5.209
   21    H    THR   4           H        THR   4  -3.951  -3.896   5.134
   22    HA   THR   4           HA       THR   4  -3.014  -4.215   2.578
   23    HB   THR   4           HB       THR   4  -3.711  -6.443   4.511
   24    HG1  THR   4           HG1      THR   4  -1.177  -5.716   4.742
   25   HG21  THR   4          HG21      THR   4  -1.755  -7.542   3.487
   26   HG22  THR   4          HG22      THR   4  -1.531  -6.149   2.426
   27   HG23  THR   4          HG23      THR   4  -2.967  -7.157   2.262
   28    H    HIS   5           H        HIS   5  -3.857  -4.813   0.748
   29    HA   HIS   5           HA       HIS   5  -5.087  -5.684  -0.857
   30    HB2  HIS   5           HB2      HIS   5  -6.529  -7.200   1.311
   31    HB3  HIS   5           HB1      HIS   5  -6.960  -7.339  -0.388
   32    HD1  HIS   5           HD1      HIS   5  -4.939  -8.955   2.080
   33    HD2  HIS   5           HD2      HIS   5  -4.551  -8.159  -1.971
   34    HE1  HIS   5           HE1      HIS   5  -3.181 -10.538   1.222
   35    H    GLU   6           H        GLU   6  -6.233  -3.439   1.218
   36    HA   GLU   6           HA       GLU   6  -8.799  -3.192  -0.084
   37    HB2  GLU   6           HB2      GLU   6  -7.356  -1.401   1.865
   38    HB3  GLU   6           HB1      GLU   6  -8.904  -0.968   1.133
   39    HG2  GLU   6           HG2      GLU   6  -9.728  -3.135   2.161
   40    HG3  GLU   6           HG1      GLU   6  -8.216  -3.128   3.070
   41    H    LYS   7           H        LYS   7  -9.380  -1.335  -1.357
   42    HA   LYS   7           HA       LYS   7  -7.445  -0.769  -3.346
   43    HB2  LYS   7           HB2      LYS   7 -10.169   0.423  -2.822
   44    HB3  LYS   7           HB1      LYS   7  -9.179   0.829  -4.217
   45    HG2  LYS   7           HG2      LYS   7  -9.232  -1.525  -4.923
   46    HG3  LYS   7           HG1      LYS   7 -10.246  -1.900  -3.538
   47    HD2  LYS   7           HD2      LYS   7 -12.012  -0.507  -4.352
   48    HD3  LYS   7           HD1      LYS   7 -10.989   0.120  -5.641
   49    HE2  LYS   7           HE2      LYS   7 -11.819  -2.771  -5.362
   50    HE3  LYS   7           HE1      LYS   7 -12.621  -1.598  -6.408
   51    HZ1  LYS   7           HZ1      LYS   7 -10.545  -1.324  -7.612
   52    HZ2  LYS   7           HZ2      LYS   7 -11.038  -2.925  -7.655
   53    HZ3  LYS   7           HZ3      LYS   7  -9.774  -2.462  -6.649
   54    H    CYS   8           H        CYS   8  -6.338   1.110  -3.792
   55    HA   CYS   8           HA       CYS   8  -6.075   2.872  -1.451
   56    HB2  CYS   8           HB2      CYS   8  -3.716   3.123  -2.202
   57    HB3  CYS   8           HB1      CYS   8  -4.149   1.505  -1.660
   58    H    SER   9           H        SER   9  -5.860   5.033  -1.762
   59    HA   SER   9           HA       SER   9  -6.492   6.035  -4.404
   60    HB2  SER   9           HB2      SER   9  -7.670   6.899  -2.366
   61    HB3  SER   9           HB1      SER   9  -6.129   7.519  -1.783
   62    HG   SER   9           HG       SER   9  -6.083   8.980  -3.400
   63    H    ASP  10           H        ASP  10  -3.848   5.864  -2.080
   64    HA   ASP  10           HA       ASP  10  -1.928   6.476  -4.048
   65    HB2  ASP  10           HB2      ASP  10  -0.914   8.401  -2.921
   66    HB3  ASP  10           HB1      ASP  10  -2.549   8.800  -3.431
   67    H    ASP  11           H        ASP  11   0.285   6.613  -2.759
   68    HA   ASP  11           HA       ASP  11   0.475   4.055  -1.517
   69    HB2  ASP  11           HB2      ASP  11   2.576   6.225  -1.738
   70    HB3  ASP  11           HB1      ASP  11   2.885   4.593  -1.169
   71    H    TYR  12           H        TYR  12   0.372   7.308  -0.242
   72    HA   TYR  12           HA       TYR  12   1.144   6.421   2.403
   73    HB2  TYR  12           HB2      TYR  12   0.200   9.121   1.425
   74    HB3  TYR  12           HB1      TYR  12   0.820   8.771   3.029
   75    HD1  TYR  12           HD1      TYR  12   1.731   9.147  -0.520
   76    HD2  TYR  12           HD2      TYR  12   3.177   8.551   3.428
   77    HE1  TYR  12           HE1      TYR  12   3.998   9.693  -1.278
   78    HE2  TYR  12           HE2      TYR  12   5.456   9.095   2.678
   79    HH   TYR  12           HH       TYR  12   6.041  10.464  -0.407
   80    H    ASP  13           H        ASP  13  -1.542   6.421   0.540
   81    HA   ASP  13           HA       ASP  13  -3.527   6.871   2.547
   82    HB2  ASP  13           HB2      ASP  13  -3.989   7.356   0.202
   83    HB3  ASP  13           HB1      ASP  13  -3.659   5.690  -0.224
   84    H    CYS  14           H        CYS  14  -1.532   4.348   1.540
   85    HA   CYS  14           HA       CYS  14  -3.163   2.269   2.724
   86    HB2  CYS  14           HB2      CYS  14  -0.411   2.188   1.493
   87    HB3  CYS  14           HB1      CYS  14  -1.356   0.797   2.035
   88    H    CYS  15           H        CYS  15  -2.792   1.367   4.658
   89    HA   CYS  15           HA       CYS  15  -1.466   2.811   6.660
   90    HB2  CYS  15           HB2      CYS  15  -2.404  -0.051   6.693
   91    HB3  CYS  15           HB1      CYS  15  -2.009   0.915   8.111
   92    H    GLY  16           H        GLY  16   0.382   2.452   7.787
   93    HA2  GLY  16           HA2      GLY  16   2.433   1.663   8.351
   94    HA3  GLY  16           HA1      GLY  16   1.992   0.146   7.586
   95    H    SER  17           H        SER  17   3.583  -0.373   6.264
   96    HA   SER  17           HA       SER  17   4.876   1.747   4.747
   97    HB2  SER  17           HB2      SER  17   6.642  -0.060   4.426
   98    HB3  SER  17           HB1      SER  17   6.439   0.550   6.069
   99    HG   SER  17           HG       SER  17   5.480  -1.275   6.671
  100    H    LEU  18           H        LEU  18   2.290   0.023   4.255
  101    HA   LEU  18           HA       LEU  18   2.775  -1.442   1.877
  102    HB2  LEU  18           HB2      LEU  18   0.256  -0.086   2.788
  103    HB3  LEU  18           HB1      LEU  18   0.348  -1.258   1.490
  104    HG   LEU  18           HG       LEU  18   0.785  -1.744   4.430
  105   HD11  LEU  18          HD11      LEU  18  -1.370  -2.620   2.531
  106   HD12  LEU  18          HD12      LEU  18  -1.527  -1.420   3.815
  107   HD13  LEU  18          HD13      LEU  18  -1.229  -3.112   4.217
  108   HD21  LEU  18          HD21      LEU  18   2.265  -3.194   3.187
  109   HD22  LEU  18          HD22      LEU  18   0.958  -3.646   2.100
  110   HD23  LEU  18          HD23      LEU  18   0.905  -4.142   3.790
  111    H    CYS  19           H        CYS  19   2.106  -0.884  -0.278
  112    HA   CYS  19           HA       CYS  19   2.308   1.967  -0.870
  113    HB2  CYS  19           HB2      CYS  19   3.444  -0.403  -2.385
  114    HB3  CYS  19           HB1      CYS  19   3.468   1.262  -2.952
  115    H    CYS  20           H        CYS  20   1.414   2.312  -3.160
  116    HA   CYS  20           HA       CYS  20  -1.166   0.945  -3.222
  117    HB2  CYS  20           HB2      CYS  20  -1.093   3.414  -2.995
  118    HB3  CYS  20           HB1      CYS  20  -0.252   3.506  -4.534
  119    H    VAL  21           H        VAL  21  -1.313  -0.634  -4.630
  120    HA   VAL  21           HA       VAL  21  -0.192  -0.332  -7.312
  121    HB   VAL  21           HB       VAL  21   0.387  -2.820  -7.294
  122   HG11  VAL  21          HG11      VAL  21   1.922  -1.105  -5.345
  123   HG12  VAL  21          HG12      VAL  21   2.154  -1.159  -7.091
  124   HG13  VAL  21          3HG1      VAL  21   2.525  -2.576  -6.108
  125   HG21  VAL  21          HG21      VAL  21   0.078  -2.523  -4.297
  126   HG22  VAL  21          HG22      VAL  21   0.756  -3.928  -5.123
  127   HG23  VAL  21          HG23      VAL  21  -0.942  -3.504  -5.349
  128    H    GLY  22           H        GLY  22  -2.631   0.351  -6.772
  129    HA2  GLY  22           HA2      GLY  22  -4.761  -0.077  -7.686
  130    HA3  GLY  22           HA1      GLY  22  -4.361  -1.800  -7.744
  131    H    ILE  23           H        ILE  23  -3.506  -2.413  -5.465
  132    HA   ILE  23           HA       ILE  23  -5.431  -1.573  -3.438
  133    HB   ILE  23           HB       ILE  23  -5.241  -3.865  -2.475
  134   HG12  ILE  23          HG12      ILE  23  -3.898  -4.560  -5.106
  135   HG13  ILE  23          HG11      ILE  23  -3.082  -4.465  -3.552
  136   HG21  ILE  23          HG21      ILE  23  -6.341  -3.743  -5.279
  137   HG22  ILE  23          HG22      ILE  23  -7.183  -3.286  -3.797
  138   HG23  ILE  23          HG23      ILE  23  -6.741  -4.970  -4.076
  139   HD11  ILE  23          HD11      ILE  23  -3.541  -6.764  -4.172
  140   HD12  ILE  23          HD12      ILE  23  -5.266  -6.399  -4.288
  141   HD13  ILE  23          HD13      ILE  23  -4.444  -6.301  -2.731
  142    H    CYS  24           H        CYS  24  -4.549  -1.983  -1.261
  143    HA   CYS  24           HA       CYS  24  -1.888  -0.973  -1.104
  144    HB2  CYS  24           HB2      CYS  24  -3.856  -1.760   1.027
  145    HB3  CYS  24           HB1      CYS  24  -2.292  -1.013   1.338
  146    H    ALA  25           H        ALA  25  -0.216  -2.160  -1.315
  147    HA   ALA  25           HA       ALA  25   0.186  -4.503   0.315
  148    HB1  ALA  25           HB1      ALA  25   0.398  -4.583  -2.707
  149    HB2  ALA  25           HB2      ALA  25  -0.771  -5.471  -1.731
  150    HB3  ALA  25           HB3      ALA  25   0.947  -5.855  -1.616
  151    H    LYS  26           H        LYS  26   2.419  -4.698   0.748
  152    HA   LYS  26           HA       LYS  26   3.952  -2.415  -0.093
  153    HB2  LYS  26           HB2      LYS  26   4.112  -3.020   2.256
  154    HB3  LYS  26           HB1      LYS  26   4.605  -4.651   1.830
  155    HG2  LYS  26           HG2      LYS  26   6.742  -3.942   1.153
  156    HG3  LYS  26           HG1      LYS  26   6.247  -2.252   1.080
  157    HD2  LYS  26           HD2      LYS  26   7.647  -2.800   3.066
  158    HD3  LYS  26           HD1      LYS  26   6.068  -2.136   3.471
  159    HE2  LYS  26           HE2      LYS  26   5.254  -4.442   3.867
  160    HE3  LYS  26           HE1      LYS  26   6.884  -5.039   3.561
  161    HZ1  LYS  26           HZ1      LYS  26   6.365  -4.756   5.939
  162    HZ2  LYS  26           HZ2      LYS  26   6.178  -3.099   5.700
  163    HZ3  LYS  26           HZ3      LYS  26   7.675  -3.814   5.461
  164    H    THR  27           H        THR  27   5.598  -2.383  -1.455
  165    HA   THR  27           HA       THR  27   5.735  -4.491  -3.331
  166    HB   THR  27           HB       THR  27   7.321  -2.751  -4.346
  167    HG1  THR  27           HG1      THR  27   7.722  -1.102  -3.059
  168   HG21  THR  27          HG21      THR  27   4.984  -3.071  -5.083
  169   HG22  THR  27          HG22      THR  27   5.409  -1.360  -5.069
  170   HG23  THR  27          HG23      THR  27   4.432  -2.037  -3.767
  171    H    ILE  28           H        ILE  28   8.035  -4.827  -4.259
  172    HA   ILE  28           HA       ILE  28   9.680  -6.104  -2.354
  173    HB   ILE  28           HB       ILE  28  10.328  -5.261  -5.203
  174   HG12  ILE  28          HG12      ILE  28   9.277  -7.910  -4.170
  175   HG13  ILE  28          HG11      ILE  28   8.317  -6.717  -5.030
  176   HG21  ILE  28          HG21      ILE  28  12.018  -7.055  -5.111
  177   HG22  ILE  28          HG22      ILE  28  11.633  -7.305  -3.406
  178   HG23  ILE  28          HG23      ILE  28  12.331  -5.777  -3.938
  179   HD11  ILE  28          HD11      ILE  28   8.983  -8.539  -6.487
  180   HD12  ILE  28          HD12      ILE  28  10.682  -8.223  -6.130
  181   HD13  ILE  28          HD13      ILE  28   9.728  -7.027  -7.007
  182    H    ALA  29           H        ALA  29  10.030  -3.126  -4.254
  183    HA   ALA  29           HA       ALA  29  12.096  -2.247  -2.405
  184    HB1  ALA  29           HB1      ALA  29  12.649  -2.139  -4.797
  185    HB2  ALA  29           HB2      ALA  29  12.593  -0.538  -4.064
  186    HB3  ALA  29           HB3      ALA  29  11.255  -1.089  -5.069
  187    HA   PRO  30           HA       PRO  30   8.815  -0.110  -0.207
  188    HB2  PRO  30           HB2      PRO  30  11.207   1.440   0.673
  189    HB3  PRO  30           HB1      PRO  30   9.900   0.746   1.637
  190    HG2  PRO  30           HG2      PRO  30  12.263  -0.442   1.554
  191    HG3  PRO  30           HG1      PRO  30  10.764  -1.390   1.521
  192    HD2  PRO  30           HD2      PRO  30  12.654  -0.776  -0.702
  193    HD3  PRO  30           HD1      PRO  30  11.695  -2.234  -0.396
  194    H    CYS  31           H        CYS  31   7.620   1.602  -0.713
  195    HA   CYS  31           HA       CYS  31   8.710   3.659  -2.492
  196    HB2  CYS  31           HB2      CYS  31   6.352   4.211  -2.892
  197    HB3  CYS  31           HB1      CYS  31   6.621   2.486  -3.128
  198    H    LYS  32           H        LYS  32   7.897   2.982   0.677
  199    HA   LYS  32           HA       LYS  32   7.927   5.773   1.517
  200    HB2  LYS  32           HB2      LYS  32   6.169   3.515   2.509
  201    HB3  LYS  32           HB1      LYS  32   6.335   5.066   3.318
  202    HG2  LYS  32           HG2      LYS  32   5.179   6.204   1.674
  203    HG3  LYS  32           HG1      LYS  32   5.509   4.976   0.453
  204    HD2  LYS  32           HD2      LYS  32   3.169   4.920   1.113
  205    HD3  LYS  32           HD1      LYS  32   3.992   3.441   1.593
  206    HE2  LYS  32           HE2      LYS  32   4.172   4.306   3.877
  207    HE3  LYS  32           HE1      LYS  32   3.309   5.766   3.378
  208    HZ1  LYS  32           HZ1      LYS  32   1.820   4.148   4.399
  209    HZ2  LYS  32           HZ2      LYS  32   2.239   3.006   3.223
  210    HZ3  LYS  32           HZ3      LYS  32   1.406   4.379   2.777
  Start of MODEL    4
    1    H1   CYS   1           HT1      CYS   1  -6.241   4.663   7.627
    2    H2   CYS   1           HT2      CYS   1  -7.179   5.393   6.440
    3    H3   CYS   1           HT3      CYS   1  -5.808   6.201   7.064
    4    HA   CYS   1           HA       CYS   1  -5.385   5.268   4.902
    5    HB2  CYS   1           HB2      CYS   1  -3.399   3.907   5.517
    6    HB3  CYS   1           HB1      CYS   1  -3.513   5.391   6.446
    7    H    ALA   2           H        ALA   2  -5.228   3.425   3.563
    8    HA   ALA   2           HA       ALA   2  -7.256   1.453   4.151
    9    HB1  ALA   2           HB1      ALA   2  -5.542   1.848   1.694
   10    HB2  ALA   2           HB2      ALA   2  -7.166   2.492   1.926
   11    HB3  ALA   2           HB3      ALA   2  -6.915   0.750   1.825
   12    H    VAL   3           H        VAL   3  -6.874  -0.690   4.449
   13    HA   VAL   3           HA       VAL   3  -4.144  -1.301   5.267
   14    HB   VAL   3           HB       VAL   3  -5.056  -3.230   6.454
   15   HG11  VAL   3          HG11      VAL   3  -6.523  -0.672   7.011
   16   HG12  VAL   3          HG12      VAL   3  -4.957  -1.163   7.658
   17   HG13  VAL   3          3HG1      VAL   3  -6.420  -2.035   8.119
   18   HG21  VAL   3          HG21      VAL   3  -6.885  -3.851   5.003
   19   HG22  VAL   3          HG22      VAL   3  -7.707  -2.340   5.338
   20   HG23  VAL   3          HG23      VAL   3  -7.527  -3.543   6.623
   21    H    THR   4           H        THR   4  -3.913  -3.933   5.081
   22    HA   THR   4           HA       THR   4  -3.061  -4.384   2.509
   23    HB   THR   4           HB       THR   4  -3.887  -6.525   4.483
   24    HG1  THR   4           HG1      THR   4  -2.491  -5.516   5.711
   25   HG21  THR   4          HG21      THR   4  -3.252  -7.313   2.254
   26   HG22  THR   4          HG22      THR   4  -2.010  -7.751   3.437
   27   HG23  THR   4          HG23      THR   4  -1.764  -6.379   2.348
   28    H    HIS   5           H        HIS   5  -4.064  -4.876   0.702
   29    HA   HIS   5           HA       HIS   5  -5.410  -5.728  -0.827
   30    HB2  HIS   5           HB2      HIS   5  -6.830  -7.191   1.413
   31    HB3  HIS   5           HB1      HIS   5  -7.232  -7.381  -0.288
   32    HD1  HIS   5           HD1      HIS   5  -5.365  -9.062   2.233
   33    HD2  HIS   5           HD2      HIS   5  -4.677  -8.163  -1.769
   34    HE1  HIS   5           HE1      HIS   5  -3.589 -10.649   1.457
   35    H    GLU   6           H        GLU   6  -6.345  -3.470   1.340
   36    HA   GLU   6           HA       GLU   6  -8.925  -3.051   0.116
   37    HB2  GLU   6           HB2      GLU   6  -7.313  -1.351   2.023
   38    HB3  GLU   6           HB1      GLU   6  -8.861  -0.838   1.350
   39    HG2  GLU   6           HG2      GLU   6  -9.781  -2.951   2.407
   40    HG3  GLU   6           HG1      GLU   6  -8.241  -3.049   3.265
   41    H    LYS   7           H        LYS   7  -9.372  -1.112  -1.088
   42    HA   LYS   7           HA       LYS   7  -7.397  -0.838  -3.122
   43    HB2  LYS   7           HB2      LYS   7 -10.082   0.502  -2.802
   44    HB3  LYS   7           HB1      LYS   7  -9.070   0.590  -4.243
   45    HG2  LYS   7           HG2      LYS   7  -9.214  -1.848  -4.483
   46    HG3  LYS   7           HG1      LYS   7 -10.246  -1.912  -3.065
   47    HD2  LYS   7           HD2      LYS   7 -11.917  -0.551  -4.202
   48    HD3  LYS   7           HD1      LYS   7 -10.868  -0.441  -5.618
   49    HE2  LYS   7           HE2      LYS   7 -12.036  -2.984  -4.480
   50    HE3  LYS   7           HE1      LYS   7 -12.619  -2.136  -5.908
   51    HZ1  LYS   7           HZ1      LYS   7 -10.434  -2.543  -6.942
   52    HZ2  LYS   7           HZ2      LYS   7 -11.244  -3.967  -6.541
   53    HZ3  LYS   7           HZ3      LYS   7  -9.969  -3.451  -5.585
   54    H    CYS   8           H        CYS   8  -6.299   1.012  -3.729
   55    HA   CYS   8           HA       CYS   8  -5.974   2.875  -1.488
   56    HB2  CYS   8           HB2      CYS   8  -3.623   3.024  -2.239
   57    HB3  CYS   8           HB1      CYS   8  -4.091   1.427  -1.663
   58    H    SER   9           H        SER   9  -5.771   4.982  -1.905
   59    HA   SER   9           HA       SER   9  -6.377   5.863  -4.621
   60    HB2  SER   9           HB2      SER   9  -6.288   7.438  -2.037
   61    HB3  SER   9           HB1      SER   9  -6.973   7.969  -3.577
   62    HG   SER   9           HG       SER   9  -7.848   5.801  -1.986
   63    H    ASP  10           H        ASP  10  -3.806   5.578  -2.359
   64    HA   ASP  10           HA       ASP  10  -1.855   6.572  -4.151
   65    HB2  ASP  10           HB2      ASP  10  -2.632   8.770  -3.280
   66    HB3  ASP  10           HB1      ASP  10  -2.371   8.198  -1.634
   67    H    ASP  11           H        ASP  11   0.310   6.434  -3.053
   68    HA   ASP  11           HA       ASP  11   0.559   3.918  -1.768
   69    HB2  ASP  11           HB2      ASP  11   2.583   6.123  -2.144
   70    HB3  ASP  11           HB1      ASP  11   2.957   4.500  -1.573
   71    H    TYR  12           H        TYR  12   0.701   7.250  -0.646
   72    HA   TYR  12           HA       TYR  12   1.406   6.357   2.002
   73    HB2  TYR  12           HB2      TYR  12   0.888   9.130   0.913
   74    HB3  TYR  12           HB1      TYR  12   1.407   8.787   2.563
   75    HD1  TYR  12           HD1      TYR  12   3.670   7.899   2.984
   76    HD2  TYR  12           HD2      TYR  12   2.435   9.014  -0.925
   77    HE1  TYR  12           HE1      TYR  12   6.012   7.898   2.249
   78    HE2  TYR  12           HE2      TYR  12   4.776   9.015  -1.673
   79    HH   TYR  12           HH       TYR  12   7.228   7.576  -0.022
   80    H    ASP  13           H        ASP  13  -1.258   6.257   0.354
   81    HA   ASP  13           HA       ASP  13  -3.183   7.078   2.364
   82    HB2  ASP  13           HB2      ASP  13  -3.799   7.512   0.090
   83    HB3  ASP  13           HB1      ASP  13  -3.351   5.897  -0.414
   84    H    CYS  14           H        CYS  14  -1.304   4.390   1.539
   85    HA   CYS  14           HA       CYS  14  -3.070   2.451   2.783
   86    HB2  CYS  14           HB2      CYS  14  -0.331   2.149   1.546
   87    HB3  CYS  14           HB1      CYS  14  -1.360   0.840   2.125
   88    H    CYS  15           H        CYS  15  -2.511   1.319   4.649
   89    HA   CYS  15           HA       CYS  15  -1.110   2.808   6.647
   90    HB2  CYS  15           HB2      CYS  15  -2.113  -0.039   6.776
   91    HB3  CYS  15           HB1      CYS  15  -1.717   0.987   8.144
   92    H    GLY  16           H        GLY  16   0.675   1.961   7.968
   93    HA2  GLY  16           HA2      GLY  16   2.680   0.963   8.387
   94    HA3  GLY  16           HA1      GLY  16   2.073  -0.414   7.483
   95    H    SER  17           H        SER  17   3.597  -0.997   6.108
   96    HA   SER  17           HA       SER  17   5.137   1.050   4.712
   97    HB2  SER  17           HB2      SER  17   6.620  -0.968   4.212
   98    HB3  SER  17           HB1      SER  17   6.543  -0.454   5.898
   99    HG   SER  17           HG       SER  17   6.330  -2.692   5.686
  100    H    LEU  18           H        LEU  18   2.338  -0.120   4.154
  101    HA   LEU  18           HA       LEU  18   2.602  -1.616   1.732
  102    HB2  LEU  18           HB2      LEU  18   0.232  -0.158   2.850
  103    HB3  LEU  18           HB1      LEU  18   0.189  -1.339   1.554
  104    HG   LEU  18           HG       LEU  18   0.878  -1.862   4.439
  105   HD11  LEU  18          HD11      LEU  18  -1.527  -2.585   2.787
  106   HD12  LEU  18          HD12      LEU  18  -1.470  -1.404   4.098
  107   HD13  LEU  18          HD13      LEU  18  -1.217  -3.117   4.437
  108   HD21  LEU  18          HD21      LEU  18   0.623  -3.769   2.121
  109   HD22  LEU  18          HD22      LEU  18   0.860  -4.203   3.816
  110   HD23  LEU  18          HD23      LEU  18   2.120  -3.332   2.949
  111    H    CYS  19           H        CYS  19   2.125  -0.940  -0.332
  112    HA   CYS  19           HA       CYS  19   2.103   1.934  -0.768
  113    HB2  CYS  19           HB2      CYS  19   3.567  -0.205  -2.331
  114    HB3  CYS  19           HB1      CYS  19   3.428   1.487  -2.812
  115    H    CYS  20           H        CYS  20   1.428   2.204  -3.250
  116    HA   CYS  20           HA       CYS  20  -1.150   0.843  -3.295
  117    HB2  CYS  20           HB2      CYS  20  -1.101   3.296  -3.060
  118    HB3  CYS  20           HB1      CYS  20  -0.263   3.404  -4.600
  119    H    VAL  21           H        VAL  21  -1.288  -0.744  -4.684
  120    HA   VAL  21           HA       VAL  21  -0.440  -0.291  -7.439
  121    HB   VAL  21           HB       VAL  21  -0.128  -3.019  -6.096
  122   HG11  VAL  21          HG11      VAL  21  -0.553  -3.134  -8.472
  123   HG12  VAL  21          HG12      VAL  21   1.102  -3.640  -8.128
  124   HG13  VAL  21          3HG1      VAL  21   0.790  -2.036  -8.790
  125   HG21  VAL  21          HG21      VAL  21   1.585  -1.547  -5.155
  126   HG22  VAL  21          HG22      VAL  21   2.096  -1.087  -6.778
  127   HG23  VAL  21          HG23      VAL  21   2.318  -2.745  -6.222
  128    H    GLY  22           H        GLY  22  -2.707   0.373  -7.136
  129    HA2  GLY  22           HA2      GLY  22  -4.928  -0.049  -7.748
  130    HA3  GLY  22           HA1      GLY  22  -4.557  -1.775  -7.797
  131    H    ILE  23           H        ILE  23  -3.626  -2.332  -5.455
  132    HA   ILE  23           HA       ILE  23  -5.491  -1.433  -3.396
  133    HB   ILE  23           HB       ILE  23  -5.453  -3.741  -2.466
  134   HG12  ILE  23          HG12      ILE  23  -4.110  -4.479  -5.081
  135   HG13  ILE  23          HG11      ILE  23  -3.340  -4.486  -3.501
  136   HG21  ILE  23          HG21      ILE  23  -7.352  -3.069  -3.794
  137   HG22  ILE  23          HG22      ILE  23  -6.981  -4.769  -4.096
  138   HG23  ILE  23          HG23      ILE  23  -6.518  -3.542  -5.275
  139   HD11  ILE  23          HD11      ILE  23  -3.942  -6.727  -4.222
  140   HD12  ILE  23          HD12      ILE  23  -5.631  -6.238  -4.357
  141   HD13  ILE  23          HD13      ILE  23  -4.843  -6.263  -2.780
  142    H    CYS  24           H        CYS  24  -4.572  -1.883  -1.237
  143    HA   CYS  24           HA       CYS  24  -1.856  -1.013  -1.152
  144    HB2  CYS  24           HB2      CYS  24  -3.738  -1.776   1.064
  145    HB3  CYS  24           HB1      CYS  24  -2.167  -1.022   1.277
  146    H    ALA  25           H        ALA  25  -0.189  -2.224  -1.255
  147    HA   ALA  25           HA       ALA  25   0.062  -4.648   0.286
  148    HB1  ALA  25           HB1      ALA  25  -0.847  -5.490  -1.831
  149    HB2  ALA  25           HB2      ALA  25   0.842  -5.961  -1.646
  150    HB3  ALA  25           HB3      ALA  25   0.410  -4.630  -2.720
  151    H    LYS  26           H        LYS  26   2.352  -5.135   0.540
  152    HA   LYS  26           HA       LYS  26   3.951  -2.774   0.061
  153    HB2  LYS  26           HB2      LYS  26   4.112  -3.947   2.269
  154    HB3  LYS  26           HB1      LYS  26   4.782  -5.347   1.437
  155    HG2  LYS  26           HG2      LYS  26   6.701  -4.032   0.714
  156    HG3  LYS  26           HG1      LYS  26   6.025  -2.600   1.477
  157    HD2  LYS  26           HD2      LYS  26   7.754  -3.527   2.887
  158    HD3  LYS  26           HD1      LYS  26   6.192  -3.734   3.668
  159    HE2  LYS  26           HE2      LYS  26   6.125  -6.050   3.018
  160    HE3  LYS  26           HE1      LYS  26   7.603  -5.878   2.077
  161    HZ1  LYS  26           HZ1      LYS  26   7.392  -5.523   5.021
  162    HZ2  LYS  26           HZ2      LYS  26   8.798  -5.399   4.102
  163    HZ3  LYS  26           HZ3      LYS  26   8.024  -6.882   4.240
  164    H    THR  27           H        THR  27   5.496  -2.566  -1.426
  165    HA   THR  27           HA       THR  27   5.685  -4.523  -3.499
  166    HB   THR  27           HB       THR  27   7.133  -2.625  -4.439
  167    HG1  THR  27           HG1      THR  27   7.585  -1.093  -3.028
  168   HG21  THR  27          HG21      THR  27   5.152  -1.222  -4.915
  169   HG22  THR  27          HG22      THR  27   4.266  -2.059  -3.640
  170   HG23  THR  27          HG23      THR  27   4.780  -2.937  -5.079
  171    H    ILE  28           H        ILE  28   8.213  -4.397  -4.395
  172    HA   ILE  28           HA       ILE  28   9.771  -5.842  -2.521
  173    HB   ILE  28           HB       ILE  28  10.732  -4.449  -5.060
  174   HG12  ILE  28          HG12      ILE  28   9.885  -7.327  -4.641
  175   HG13  ILE  28          HG11      ILE  28   8.913  -6.106  -5.448
  176   HG21  ILE  28          HG21      ILE  28  12.000  -6.690  -3.473
  177   HG22  ILE  28          HG22      ILE  28  12.556  -5.021  -3.515
  178   HG23  ILE  28          HG23      ILE  28  12.617  -6.006  -4.979
  179   HD11  ILE  28          HD11      ILE  28  10.006  -7.541  -7.058
  180   HD12  ILE  28          HD12      ILE  28  11.581  -7.154  -6.365
  181   HD13  ILE  28          HD13      ILE  28  10.642  -5.901  -7.175
  182    H    ALA  29           H        ALA  29  10.257  -2.602  -3.898
  183    HA   ALA  29           HA       ALA  29  11.706  -1.857  -1.465
  184    HB1  ALA  29           HB1      ALA  29  12.468   0.100  -2.750
  185    HB2  ALA  29           HB2      ALA  29  11.530  -0.444  -4.137
  186    HB3  ALA  29           HB3      ALA  29  12.902  -1.398  -3.574
  187    HA   PRO  30           HA       PRO  30   7.744  -0.012  -0.381
  188    HB2  PRO  30           HB2      PRO  30   9.477   1.211   1.713
  189    HB3  PRO  30           HB1      PRO  30   7.933   0.367   1.892
  190    HG2  PRO  30           HG2      PRO  30  10.160  -0.864   2.579
  191    HG3  PRO  30           HG1      PRO  30   8.910  -1.739   1.676
  192    HD2  PRO  30           HD2      PRO  30  11.473  -0.550   0.666
  193    HD3  PRO  30           HD1      PRO  30  10.731  -2.122   0.292
  194    H    CYS  31           H        CYS  31   6.861   1.892  -0.774
  195    HA   CYS  31           HA       CYS  31   8.271   3.857  -2.286
  196    HB2  CYS  31           HB2      CYS  31   5.945   4.821  -2.349
  197    HB3  CYS  31           HB1      CYS  31   6.098   3.161  -2.943
  198    H    LYS  32           H        LYS  32   7.763   3.412   0.992
  199    HA   LYS  32           HA       LYS  32   7.644   6.274   1.573
  200    HB2  LYS  32           HB2      LYS  32   7.258   3.935   3.454
  201    HB3  LYS  32           HB1      LYS  32   6.948   5.629   3.806
  202    HG2  LYS  32           HG2      LYS  32   5.171   5.636   2.106
  203    HG3  LYS  32           HG1      LYS  32   5.459   3.920   1.828
  204    HD2  LYS  32           HD2      LYS  32   4.916   3.487   4.198
  205    HD3  LYS  32           HD1      LYS  32   4.544   5.201   4.397
  206    HE2  LYS  32           HE2      LYS  32   2.836   4.996   2.626
  207    HE3  LYS  32           HE1      LYS  32   3.166   3.268   2.541
  208    HZ1  LYS  32           HZ1      LYS  32   2.525   3.121   4.911
  209    HZ2  LYS  32           HZ2      LYS  32   1.261   3.674   3.940
  210    HZ3  LYS  32           HZ3      LYS  32   2.103   4.749   4.878
  Start of MODEL    5
    1    H1   CYS   1           HT1      CYS   1  -6.511   4.281   7.673
    2    H2   CYS   1           HT2      CYS   1  -7.332   5.049   6.418
    3    H3   CYS   1           HT3      CYS   1  -6.081   5.860   7.208
    4    HA   CYS   1           HA       CYS   1  -5.440   5.038   5.062
    5    HB2  CYS   1           HB2      CYS   1  -3.440   3.777   5.761
    6    HB3  CYS   1           HB1      CYS   1  -3.738   5.148   6.821
    7    H    ALA   2           H        ALA   2  -5.180   3.271   3.658
    8    HA   ALA   2           HA       ALA   2  -7.150   1.195   4.098
    9    HB1  ALA   2           HB1      ALA   2  -6.787   0.674   1.741
   10    HB2  ALA   2           HB2      ALA   2  -5.457   1.829   1.688
   11    HB3  ALA   2           HB3      ALA   2  -7.104   2.392   1.966
   12    H    VAL   3           H        VAL   3  -6.707  -0.871   4.407
   13    HA   VAL   3           HA       VAL   3  -3.931  -1.515   5.043
   14    HB   VAL   3           HB       VAL   3  -4.815  -3.592   6.066
   15   HG11  VAL   3          HG11      VAL   3  -4.571  -1.613   7.442
   16   HG12  VAL   3          HG12      VAL   3  -5.972  -2.555   7.949
   17   HG13  VAL   3          3HG1      VAL   3  -6.195  -1.086   6.998
   18   HG21  VAL   3          HG21      VAL   3  -7.508  -2.480   5.299
   19   HG22  VAL   3          HG22      VAL   3  -7.244  -3.895   6.326
   20   HG23  VAL   3          HG23      VAL   3  -6.750  -3.918   4.628
   21    H    THR   4           H        THR   4  -3.629  -4.112   4.633
   22    HA   THR   4           HA       THR   4  -3.046  -4.336   1.944
   23    HB   THR   4           HB       THR   4  -3.479  -6.622   3.886
   24    HG1  THR   4           HG1      THR   4  -0.911  -5.824   3.713
   25   HG21  THR   4          HG21      THR   4  -1.606  -6.265   1.533
   26   HG22  THR   4          HG22      THR   4  -3.058  -7.265   1.538
   27   HG23  THR   4          HG23      THR   4  -1.689  -7.692   2.568
   28    H    HIS   5           H        HIS   5  -4.154  -4.977   0.253
   29    HA   HIS   5           HA       HIS   5  -5.660  -5.897  -1.121
   30    HB2  HIS   5           HB2      HIS   5  -7.062  -6.986   1.329
   31    HB3  HIS   5           HB1      HIS   5  -7.626  -7.247  -0.315
   32    HD1  HIS   5           HD1      HIS   5  -5.609  -8.813   2.239
   33    HD2  HIS   5           HD2      HIS   5  -5.519  -8.624  -1.915
   34    HE1  HIS   5           HE1      HIS   5  -4.255 -10.776   1.486
   35    H    GLU   6           H        GLU   6  -6.403  -3.552   1.184
   36    HA   GLU   6           HA       GLU   6  -8.966  -2.941   0.042
   37    HB2  GLU   6           HB2      GLU   6  -7.183  -1.381   1.901
   38    HB3  GLU   6           HB1      GLU   6  -8.708  -0.741   1.287
   39    HG2  GLU   6           HG2      GLU   6  -9.698  -2.861   2.353
   40    HG3  GLU   6           HG1      GLU   6  -8.158  -2.950   3.209
   41    H    LYS   7           H        LYS   7  -9.418  -1.023  -1.120
   42    HA   LYS   7           HA       LYS   7  -7.700  -0.605  -3.312
   43    HB2  LYS   7           HB2      LYS   7  -9.287   1.123  -3.995
   44    HB3  LYS   7           HB1      LYS   7 -10.135  -0.314  -3.445
   45    HG2  LYS   7           HG2      LYS   7 -10.573   0.824  -1.275
   46    HG3  LYS   7           HG1      LYS   7  -9.770   2.258  -1.902
   47    HD2  LYS   7           HD2      LYS   7 -12.152   2.547  -2.133
   48    HD3  LYS   7           HD1      LYS   7 -11.451   2.339  -3.737
   49    HE2  LYS   7           HE2      LYS   7 -12.096  -0.070  -3.632
   50    HE3  LYS   7           HE1      LYS   7 -12.903   0.257  -2.103
   51    HZ1  LYS   7           HZ1      LYS   7 -14.444   0.272  -3.949
   52    HZ2  LYS   7           HZ2      LYS   7 -13.564   1.475  -4.718
   53    HZ3  LYS   7           HZ3      LYS   7 -14.359   1.815  -3.269
   54    H    CYS   8           H        CYS   8  -6.366   1.176  -3.807
   55    HA   CYS   8           HA       CYS   8  -5.746   2.812  -1.460
   56    HB2  CYS   8           HB2      CYS   8  -3.445   2.942  -2.367
   57    HB3  CYS   8           HB1      CYS   8  -3.928   1.310  -1.923
   58    H    SER   9           H        SER   9  -5.710   4.942  -1.689
   59    HA   SER   9           HA       SER   9  -6.413   6.024  -4.299
   60    HB2  SER   9           HB2      SER   9  -6.139   7.398  -1.619
   61    HB3  SER   9           HB1      SER   9  -6.876   8.076  -3.073
   62    HG   SER   9           HG       SER   9  -7.787   5.750  -1.716
   63    H    ASP  10           H        ASP  10  -3.738   5.597  -2.197
   64    HA   ASP  10           HA       ASP  10  -1.860   6.872  -3.923
   65    HB2  ASP  10           HB2      ASP  10  -2.898   8.798  -2.577
   66    HB3  ASP  10           HB1      ASP  10  -2.276   8.004  -1.138
   67    H    ASP  11           H        ASP  11   0.319   6.558  -2.815
   68    HA   ASP  11           HA       ASP  11   0.496   3.962  -1.596
   69    HB2  ASP  11           HB2      ASP  11   2.608   6.109  -2.011
   70    HB3  ASP  11           HB1      ASP  11   2.952   4.537  -1.310
   71    H    TYR  12           H        TYR  12   0.568   7.277  -0.548
   72    HA   TYR  12           HA       TYR  12   1.203   6.566   2.179
   73    HB2  TYR  12           HB2      TYR  12   0.547   9.244   0.936
   74    HB3  TYR  12           HB1      TYR  12   1.085   8.987   2.596
   75    HD1  TYR  12           HD1      TYR  12   2.130   9.583  -0.748
   76    HD2  TYR  12           HD2      TYR  12   3.361   7.811   2.910
   77    HE1  TYR  12           HE1      TYR  12   4.462   9.666  -1.502
   78    HE2  TYR  12           HE2      TYR  12   5.704   7.900   2.169
   79    HH   TYR  12           HH       TYR  12   6.930   7.946  -0.086
   80    H    ASP  13           H        ASP  13  -1.406   6.235   0.433
   81    HA   ASP  13           HA       ASP  13  -3.353   7.010   2.473
   82    HB2  ASP  13           HB2      ASP  13  -3.999   7.505   0.192
   83    HB3  ASP  13           HB1      ASP  13  -3.594   5.883  -0.330
   84    H    CYS  14           H        CYS  14  -1.358   4.488   1.593
   85    HA   CYS  14           HA       CYS  14  -3.010   2.376   2.703
   86    HB2  CYS  14           HB2      CYS  14  -0.247   2.322   1.482
   87    HB3  CYS  14           HB1      CYS  14  -1.165   0.914   2.014
   88    H    CYS  15           H        CYS  15  -2.553   1.334   4.574
   89    HA   CYS  15           HA       CYS  15  -1.413   2.790   6.685
   90    HB2  CYS  15           HB2      CYS  15  -2.093  -0.132   6.509
   91    HB3  CYS  15           HB1      CYS  15  -1.748   0.725   8.002
   92    H    GLY  16           H        GLY  16   0.411   2.547   7.859
   93    HA2  GLY  16           HA2      GLY  16   2.566   2.147   8.384
   94    HA3  GLY  16           HA1      GLY  16   2.206   0.485   8.005
   95    H    SER  17           H        SER  17   3.355  -0.424   6.444
   96    HA   SER  17           HA       SER  17   5.185   1.292   4.962
   97    HB2  SER  17           HB2      SER  17   6.355  -0.997   4.737
   98    HB3  SER  17           HB1      SER  17   6.373  -0.182   6.305
   99    HG   SER  17           HG       SER  17   5.261  -2.566   5.617
  100    H    LEU  18           H        LEU  18   2.293   0.001   4.382
  101    HA   LEU  18           HA       LEU  18   2.698  -1.572   2.041
  102    HB2  LEU  18           HB2      LEU  18   0.272  -0.095   2.994
  103    HB3  LEU  18           HB1      LEU  18   0.284  -1.276   1.696
  104    HG   LEU  18           HG       LEU  18   0.881  -1.818   4.601
  105   HD11  LEU  18          HD11      LEU  18  -1.448  -1.290   4.195
  106   HD12  LEU  18          HD12      LEU  18  -1.250  -3.012   4.538
  107   HD13  LEU  18          HD13      LEU  18  -1.495  -2.464   2.882
  108   HD21  LEU  18          HD21      LEU  18   2.116  -3.321   3.123
  109   HD22  LEU  18          HD22      LEU  18   0.628  -3.696   2.252
  110   HD23  LEU  18          HD23      LEU  18   0.805  -4.164   3.945
  111    H    CYS  19           H        CYS  19   2.159  -1.047  -0.081
  112    HA   CYS  19           HA       CYS  19   2.247   1.800  -0.721
  113    HB2  CYS  19           HB2      CYS  19   3.618  -0.477  -2.171
  114    HB3  CYS  19           HB1      CYS  19   3.514   1.177  -2.764
  115    H    CYS  20           H        CYS  20   1.480   2.106  -3.061
  116    HA   CYS  20           HA       CYS  20  -1.126   0.794  -3.189
  117    HB2  CYS  20           HB2      CYS  20  -1.146   3.206  -2.945
  118    HB3  CYS  20           HB1      CYS  20  -0.097   3.386  -4.340
  119    H    VAL  21           H        VAL  21  -1.318  -0.763  -4.612
  120    HA   VAL  21           HA       VAL  21  -0.185  -0.419  -7.296
  121    HB   VAL  21           HB       VAL  21   0.131  -2.923  -7.418
  122   HG11  VAL  21          HG11      VAL  21   1.732  -1.519  -5.293
  123   HG12  VAL  21          HG12      VAL  21   2.063  -1.543  -7.028
  124   HG13  VAL  21          3HG1      VAL  21   2.195  -3.025  -6.079
  125   HG21  VAL  21          HG21      VAL  21   0.256  -4.229  -5.332
  126   HG22  VAL  21          HG22      VAL  21  -1.369  -3.601  -5.608
  127   HG23  VAL  21          HG23      VAL  21  -0.315  -2.824  -4.429
  128    H    GLY  22           H        GLY  22  -2.639   0.410  -6.448
  129    HA2  GLY  22           HA2      GLY  22  -4.778   0.278  -7.529
  130    HA3  GLY  22           HA1      GLY  22  -4.486  -1.447  -7.802
  131    H    ILE  23           H        ILE  23  -3.623  -2.264  -5.554
  132    HA   ILE  23           HA       ILE  23  -5.567  -1.574  -3.464
  133    HB   ILE  23           HB       ILE  23  -5.344  -3.901  -2.622
  134   HG12  ILE  23          HG12      ILE  23  -3.807  -4.449  -5.184
  135   HG13  ILE  23          HG11      ILE  23  -3.093  -4.367  -3.580
  136   HG21  ILE  23          HG21      ILE  23  -7.223  -3.388  -4.053
  137   HG22  ILE  23          HG22      ILE  23  -6.666  -5.035  -4.358
  138   HG23  ILE  23          HG23      ILE  23  -6.261  -3.744  -5.487
  139   HD11  ILE  23          HD11      ILE  23  -5.133  -6.380  -4.504
  140   HD12  ILE  23          HD12      ILE  23  -4.396  -6.318  -2.902
  141   HD13  ILE  23          HD13      ILE  23  -3.403  -6.665  -4.317
  142    H    CYS  24           H        CYS  24  -4.615  -1.811  -1.300
  143    HA   CYS  24           HA       CYS  24  -1.864  -1.012  -1.282
  144    HB2  CYS  24           HB2      CYS  24  -3.741  -1.636   1.000
  145    HB3  CYS  24           HB1      CYS  24  -2.127  -0.959   1.180
  146    H    ALA  25           H        ALA  25  -0.198  -2.261  -1.199
  147    HA   ALA  25           HA       ALA  25  -0.346  -4.913  -0.027
  148    HB1  ALA  25           HB1      ALA  25   0.432  -4.435  -2.905
  149    HB2  ALA  25           HB2      ALA  25  -1.015  -5.278  -2.351
  150    HB3  ALA  25           HB3      ALA  25   0.580  -5.968  -2.048
  151    H    LYS  26           H        LYS  26   1.880  -5.896  -0.091
  152    HA   LYS  26           HA       LYS  26   3.805  -3.858   0.654
  153    HB2  LYS  26           HB2      LYS  26   3.440  -5.806   2.128
  154    HB3  LYS  26           HB1      LYS  26   3.890  -6.873   0.808
  155    HG2  LYS  26           HG2      LYS  26   6.156  -5.905   0.818
  156    HG3  LYS  26           HG1      LYS  26   5.695  -4.883   2.177
  157    HD2  LYS  26           HD2      LYS  26   6.917  -6.833   2.969
  158    HD3  LYS  26           HD1      LYS  26   5.247  -6.900   3.524
  159    HE2  LYS  26           HE2      LYS  26   4.701  -8.494   1.759
  160    HE3  LYS  26           HE1      LYS  26   6.342  -8.376   1.125
  161    HZ1  LYS  26           HZ1      LYS  26   6.043 -10.351   2.477
  162    HZ2  LYS  26           HZ2      LYS  26   5.606  -9.405   3.814
  163    HZ3  LYS  26           HZ3      LYS  26   7.152  -9.307   3.195
  164    H    THR  27           H        THR  27   5.458  -3.301  -0.673
  165    HA   THR  27           HA       THR  27   5.880  -4.956  -3.023
  166    HB   THR  27           HB       THR  27   6.879  -2.805  -3.972
  167    HG1  THR  27           HG1      THR  27   7.142  -1.493  -2.273
  168   HG21  THR  27          HG21      THR  27   3.943  -2.823  -3.253
  169   HG22  THR  27          HG22      THR  27   4.675  -3.591  -4.665
  170   HG23  THR  27          HG23      THR  27   4.673  -1.836  -4.518
  171    H    ILE  28           H        ILE  28   8.093  -5.237  -3.713
  172    HA   ILE  28           HA       ILE  28   9.882  -5.748  -1.579
  173    HB   ILE  28           HB       ILE  28  10.529  -5.534  -4.548
  174   HG12  ILE  28          HG12      ILE  28   9.784  -7.982  -2.925
  175   HG13  ILE  28          HG11      ILE  28   8.709  -7.163  -4.048
  176   HG21  ILE  28          HG21      ILE  28  11.989  -6.962  -2.318
  177   HG22  ILE  28          HG22      ILE  28  12.518  -5.478  -3.104
  178   HG23  ILE  28          HG23      ILE  28  12.441  -6.984  -4.023
  179   HD11  ILE  28          HD11      ILE  28  11.290  -8.549  -4.749
  180   HD12  ILE  28          HD12      ILE  28  10.224  -7.726  -5.887
  181   HD13  ILE  28          HD13      ILE  28   9.662  -9.164  -5.035
  182    H    ALA  29           H        ALA  29   9.675  -3.266  -4.023
  183    HA   ALA  29           HA       ALA  29  11.778  -1.683  -2.835
  184    HB1  ALA  29           HB1      ALA  29   9.872  -1.094  -5.099
  185    HB2  ALA  29           HB2      ALA  29  11.503  -1.740  -5.269
  186    HB3  ALA  29           HB3      ALA  29  11.259  -0.109  -4.635
  187    HA   PRO  30           HA       PRO  30   8.704   0.258  -0.241
  188    HB2  PRO  30           HB2      PRO  30  10.315   1.955   1.066
  189    HB3  PRO  30           HB1      PRO  30  10.381   0.214   1.366
  190    HG2  PRO  30           HG2      PRO  30  12.163   1.912  -0.325
  191    HG3  PRO  30           HG1      PRO  30  12.614   0.615   0.791
  192    HD2  PRO  30           HD2      PRO  30  12.423   0.306  -1.921
  193    HD3  PRO  30           HD1      PRO  30  12.187  -1.022  -0.771
  194    H    CYS  31           H        CYS  31   7.454   2.075  -0.392
  195    HA   CYS  31           HA       CYS  31   8.241   4.035  -2.426
  196    HB2  CYS  31           HB2      CYS  31   5.794   4.561  -2.447
  197    HB3  CYS  31           HB1      CYS  31   6.168   2.900  -2.899
  198    H    LYS  32           H        LYS  32   8.117   3.618   0.859
  199    HA   LYS  32           HA       LYS  32   7.688   6.463   1.351
  200    HB2  LYS  32           HB2      LYS  32   7.381   4.150   3.273
  201    HB3  LYS  32           HB1      LYS  32   7.040   5.841   3.620
  202    HG2  LYS  32           HG2      LYS  32   5.267   5.790   1.877
  203    HG3  LYS  32           HG1      LYS  32   5.569   4.066   1.679
  204    HD2  LYS  32           HD2      LYS  32   4.982   3.693   4.017
  205    HD3  LYS  32           HD1      LYS  32   4.712   5.425   4.217
  206    HE2  LYS  32           HE2      LYS  32   2.948   5.292   2.465
  207    HE3  LYS  32           HE1      LYS  32   3.169   3.545   2.427
  208    HZ1  LYS  32           HZ1      LYS  32   2.609   3.522   4.813
  209    HZ2  LYS  32           HZ2      LYS  32   1.319   4.066   3.874
  210    HZ3  LYS  32           HZ3      LYS  32   2.243   5.159   4.744
  Start of MODEL    6
    1    H1   CYS   1           HT1      CYS   1  -7.581   5.126   6.984
    2    H2   CYS   1           HT2      CYS   1  -6.211   5.986   7.525
    3    H3   CYS   1           HT3      CYS   1  -6.440   4.374   7.951
    4    HA   CYS   1           HA       CYS   1  -6.093   5.277   5.209
    5    HB2  CYS   1           HB2      CYS   1  -3.843   4.138   5.414
    6    HB3  CYS   1           HB1      CYS   1  -3.991   5.650   6.288
    7    H    ALA   2           H        ALA   2  -5.366   3.348   3.865
    8    HA   ALA   2           HA       ALA   2  -7.245   1.189   4.371
    9    HB1  ALA   2           HB1      ALA   2  -6.855   0.610   2.031
   10    HB2  ALA   2           HB2      ALA   2  -5.604   1.849   1.930
   11    HB3  ALA   2           HB3      ALA   2  -7.284   2.310   2.203
   12    H    VAL   3           H        VAL   3  -6.662  -0.880   4.605
   13    HA   VAL   3           HA       VAL   3  -3.867  -1.390   5.323
   14    HB   VAL   3           HB       VAL   3  -4.680  -3.448   6.376
   15   HG11  VAL   3          HG11      VAL   3  -6.060  -2.449   8.143
   16   HG12  VAL   3          HG12      VAL   3  -6.298  -1.024   7.129
   17   HG13  VAL   3          3HG1      VAL   3  -4.686  -1.435   7.708
   18   HG21  VAL   3          HG21      VAL   3  -7.387  -2.595   5.348
   19   HG22  VAL   3          HG22      VAL   3  -7.115  -3.934   6.474
   20   HG23  VAL   3          HG23      VAL   3  -6.471  -4.001   4.830
   21    H    THR   4           H        THR   4  -3.493  -4.031   4.908
   22    HA   THR   4           HA       THR   4  -2.903  -4.151   2.163
   23    HB   THR   4           HB       THR   4  -3.048  -6.491   4.106
   24    HG1  THR   4           HG1      THR   4  -1.667  -4.994   4.966
   25   HG21  THR   4          HG21      THR   4  -1.436  -6.084   1.579
   26   HG22  THR   4          HG22      THR   4  -2.840  -7.139   1.743
   27   HG23  THR   4          HG23      THR   4  -1.361  -7.497   2.633
   28    H    HIS   5           H        HIS   5  -4.030  -4.812   0.500
   29    HA   HIS   5           HA       HIS   5  -5.465  -5.851  -0.843
   30    HB2  HIS   5           HB2      HIS   5  -6.637  -7.202   1.597
   31    HB3  HIS   5           HB1      HIS   5  -7.214  -7.486  -0.042
   32    HD1  HIS   5           HD1      HIS   5  -5.052  -8.986   2.350
   33    HD2  HIS   5           HD2      HIS   5  -4.836  -8.302  -1.741
   34    HE1  HIS   5           HE1      HIS   5  -3.316 -10.564   1.475
   35    H    GLU   6           H        GLU   6  -6.201  -3.489   1.234
   36    HA   GLU   6           HA       GLU   6  -8.852  -3.073   0.134
   37    HB2  GLU   6           HB2      GLU   6  -7.109  -1.454   1.990
   38    HB3  GLU   6           HB1      GLU   6  -8.604  -0.790   1.310
   39    HG2  GLU   6           HG2      GLU   6  -9.700  -2.800   2.412
   40    HG3  GLU   6           HG1      GLU   6  -8.164  -3.020   3.253
   41    H    LYS   7           H        LYS   7  -9.295  -1.221  -1.208
   42    HA   LYS   7           HA       LYS   7  -7.319  -0.936  -3.249
   43    HB2  LYS   7           HB2      LYS   7  -8.939   0.554  -4.359
   44    HB3  LYS   7           HB1      LYS   7  -9.686  -0.947  -3.841
   45    HG2  LYS   7           HG2      LYS   7 -10.601   0.218  -1.886
   46    HG3  LYS   7           HG1      LYS   7  -9.897   1.722  -2.476
   47    HD2  LYS   7           HD2      LYS   7 -11.230   1.538  -4.520
   48    HD3  LYS   7           HD1      LYS   7 -11.933   0.035  -3.921
   49    HE2  LYS   7           HE2      LYS   7 -12.892   1.227  -2.025
   50    HE3  LYS   7           HE1      LYS   7 -12.159   2.725  -2.589
   51    HZ1  LYS   7           HZ1      LYS   7 -13.511   2.586  -4.589
   52    HZ2  LYS   7           HZ2      LYS   7 -14.462   2.599  -3.200
   53    HZ3  LYS   7           HZ3      LYS   7 -14.225   1.155  -4.035
   54    H    CYS   8           H        CYS   8  -6.253   1.019  -3.918
   55    HA   CYS   8           HA       CYS   8  -5.840   2.822  -1.638
   56    HB2  CYS   8           HB2      CYS   8  -3.525   3.055  -2.487
   57    HB3  CYS   8           HB1      CYS   8  -3.926   1.436  -1.929
   58    H    SER   9           H        SER   9  -5.884   4.954  -1.967
   59    HA   SER   9           HA       SER   9  -6.388   5.950  -4.666
   60    HB2  SER   9           HB2      SER   9  -6.320   7.437  -2.024
   61    HB3  SER   9           HB1      SER   9  -6.990   8.022  -3.549
   62    HG   SER   9           HG       SER   9  -8.073   6.422  -1.650
   63    H    ASP  10           H        ASP  10  -3.958   5.743  -2.219
   64    HA   ASP  10           HA       ASP  10  -1.925   6.827  -3.908
   65    HB2  ASP  10           HB2      ASP  10  -2.810   8.908  -2.954
   66    HB3  ASP  10           HB1      ASP  10  -2.693   8.219  -1.336
   67    H    ASP  11           H        ASP  11   0.152   6.620  -2.751
   68    HA   ASP  11           HA       ASP  11   0.365   4.042  -1.570
   69    HB2  ASP  11           HB2      ASP  11   2.419   6.252  -1.732
   70    HB3  ASP  11           HB1      ASP  11   2.758   4.596  -1.243
   71    H    TYR  12           H        TYR  12   0.407   7.314  -0.262
   72    HA   TYR  12           HA       TYR  12   1.031   6.324   2.369
   73    HB2  TYR  12           HB2      TYR  12   0.427   9.117   1.370
   74    HB3  TYR  12           HB1      TYR  12   0.877   8.730   3.028
   75    HD1  TYR  12           HD1      TYR  12   2.099   8.735  -0.475
   76    HD2  TYR  12           HD2      TYR  12   3.175   8.394   3.626
   77    HE1  TYR  12           HE1      TYR  12   4.468   8.940  -1.090
   78    HE2  TYR  12           HE2      TYR  12   5.555   8.596   3.016
   79    HH   TYR  12           HH       TYR  12   6.546   9.663  -0.023
   80    H    ASP  13           H        ASP  13  -1.653   6.567   0.488
   81    HA   ASP  13           HA       ASP  13  -3.656   7.057   2.487
   82    HB2  ASP  13           HB2      ASP  13  -4.225   7.511   0.191
   83    HB3  ASP  13           HB1      ASP  13  -3.683   5.927  -0.323
   84    H    CYS  14           H        CYS  14  -1.690   4.502   1.501
   85    HA   CYS  14           HA       CYS  14  -3.228   2.420   2.812
   86    HB2  CYS  14           HB2      CYS  14  -0.486   2.356   1.547
   87    HB3  CYS  14           HB1      CYS  14  -1.449   0.969   2.053
   88    H    CYS  15           H        CYS  15  -2.625   1.535   4.740
   89    HA   CYS  15           HA       CYS  15  -1.207   3.132   6.607
   90    HB2  CYS  15           HB2      CYS  15  -2.099   0.259   6.807
   91    HB3  CYS  15           HB1      CYS  15  -1.648   1.301   8.154
   92    H    GLY  16           H        GLY  16   0.693   2.526   7.829
   93    HA2  GLY  16           HA2      GLY  16   2.778   1.717   8.176
   94    HA3  GLY  16           HA1      GLY  16   2.228   0.245   7.398
   95    H    SER  17           H        SER  17   3.878  -0.260   6.137
   96    HA   SER  17           HA       SER  17   5.166   1.759   4.493
   97    HB2  SER  17           HB2      SER  17   6.769  -0.166   4.123
   98    HB3  SER  17           HB1      SER  17   6.657   0.443   5.778
   99    HG   SER  17           HG       SER  17   5.791  -1.348   6.410
  100    H    LEU  18           H        LEU  18   2.452   0.295   4.073
  101    HA   LEU  18           HA       LEU  18   2.790  -1.336   1.754
  102    HB2  LEU  18           HB2      LEU  18   0.355   0.118   2.747
  103    HB3  LEU  18           HB1      LEU  18   0.364  -1.132   1.520
  104    HG   LEU  18           HG       LEU  18   1.078  -1.502   4.423
  105   HD11  LEU  18          HD11      LEU  18  -1.015  -2.751   4.520
  106   HD12  LEU  18          HD12      LEU  18  -1.358  -2.296   2.852
  107   HD13  LEU  18          HD13      LEU  18  -1.274  -1.058   4.106
  108   HD21  LEU  18          HD21      LEU  18   2.301  -3.052   2.996
  109   HD22  LEU  18          HD22      LEU  18   0.802  -3.502   2.183
  110   HD23  LEU  18          HD23      LEU  18   1.031  -3.890   3.888
  111    H    CYS  19           H        CYS  19   2.278  -0.821  -0.370
  112    HA   CYS  19           HA       CYS  19   2.240   2.034  -0.970
  113    HB2  CYS  19           HB2      CYS  19   3.725  -0.156  -2.442
  114    HB3  CYS  19           HB1      CYS  19   3.588   1.511  -2.991
  115    H    CYS  20           H        CYS  20   1.457   2.354  -3.265
  116    HA   CYS  20           HA       CYS  20  -1.062   0.914  -3.409
  117    HB2  CYS  20           HB2      CYS  20  -1.062   3.372  -3.217
  118    HB3  CYS  20           HB1      CYS  20  -0.148   3.476  -4.712
  119    H    VAL  21           H        VAL  21  -1.218  -0.663  -4.779
  120    HA   VAL  21           HA       VAL  21  -0.090  -0.454  -7.475
  121    HB   VAL  21           HB       VAL  21   0.363  -2.968  -7.400
  122   HG11  VAL  21          HG11      VAL  21   2.514  -2.804  -6.222
  123   HG12  VAL  21          HG12      VAL  21   1.996  -1.276  -5.510
  124   HG13  VAL  21          3HG1      VAL  21   2.215  -1.405  -7.255
  125   HG21  VAL  21          HG21      VAL  21  -0.991  -3.529  -5.436
  126   HG22  VAL  21          HG22      VAL  21   0.082  -2.577  -4.411
  127   HG23  VAL  21          HG23      VAL  21   0.683  -4.034  -5.203
  128    H    GLY  22           H        GLY  22  -2.537   0.306  -6.845
  129    HA2  GLY  22           HA2      GLY  22  -4.663  -0.097  -7.812
  130    HA3  GLY  22           HA1      GLY  22  -4.286  -1.825  -7.862
  131    H    ILE  23           H        ILE  23  -3.462  -2.451  -5.572
  132    HA   ILE  23           HA       ILE  23  -5.390  -1.533  -3.558
  133    HB   ILE  23           HB       ILE  23  -5.131  -3.755  -2.466
  134   HG12  ILE  23          HG12      ILE  23  -3.738  -4.593  -5.029
  135   HG13  ILE  23          HG11      ILE  23  -2.925  -4.311  -3.498
  136   HG21  ILE  23          HG21      ILE  23  -6.199  -3.849  -5.280
  137   HG22  ILE  23          HG22      ILE  23  -7.078  -3.361  -3.830
  138   HG23  ILE  23          HG23      ILE  23  -6.546  -5.032  -4.019
  139   HD11  ILE  23          HD11      ILE  23  -5.022  -6.410  -4.000
  140   HD12  ILE  23          HD12      ILE  23  -4.129  -6.163  -2.497
  141   HD13  ILE  23          HD13      ILE  23  -3.282  -6.687  -3.951
  142    H    CYS  24           H        CYS  24  -4.508  -1.797  -1.352
  143    HA   CYS  24           HA       CYS  24  -1.811  -0.842  -1.191
  144    HB2  CYS  24           HB2      CYS  24  -3.807  -1.609   0.943
  145    HB3  CYS  24           HB1      CYS  24  -2.256  -0.831   1.245
  146    H    ALA  25           H        ALA  25  -0.136  -2.156  -1.240
  147    HA   ALA  25           HA       ALA  25  -0.244  -4.681   0.167
  148    HB1  ALA  25           HB1      ALA  25   0.371  -4.536  -2.785
  149    HB2  ALA  25           HB2      ALA  25  -1.065  -5.262  -2.066
  150    HB3  ALA  25           HB3      ALA  25   0.523  -5.969  -1.770
  151    H    LYS  26           H        LYS  26   1.898  -5.723   0.111
  152    HA   LYS  26           HA       LYS  26   3.989  -3.789   0.559
  153    HB2  LYS  26           HB2      LYS  26   3.661  -5.718   2.075
  154    HB3  LYS  26           HB1      LYS  26   3.937  -6.813   0.740
  155    HG2  LYS  26           HG2      LYS  26   5.953  -6.794   1.941
  156    HG3  LYS  26           HG1      LYS  26   6.237  -5.781   0.531
  157    HD2  LYS  26           HD2      LYS  26   7.211  -4.742   2.494
  158    HD3  LYS  26           HD1      LYS  26   5.842  -3.773   1.942
  159    HE2  LYS  26           HE2      LYS  26   4.450  -4.595   3.674
  160    HE3  LYS  26           HE1      LYS  26   5.597  -5.873   4.068
  161    HZ1  LYS  26           HZ1      LYS  26   7.130  -4.158   4.849
  162    HZ2  LYS  26           HZ2      LYS  26   5.706  -4.189   5.690
  163    HZ3  LYS  26           HZ3      LYS  26   5.978  -2.943   4.604
  164    H    THR  27           H        THR  27   5.315  -3.190  -1.058
  165    HA   THR  27           HA       THR  27   5.375  -4.644  -3.525
  166    HB   THR  27           HB       THR  27   6.874  -2.626  -4.069
  167    HG1  THR  27           HG1      THR  27   7.175  -1.225  -2.519
  168   HG21  THR  27          HG21      THR  27   4.910  -1.137  -4.288
  169   HG22  THR  27          HG22      THR  27   3.997  -2.204  -3.217
  170   HG23  THR  27          HG23      THR  27   4.534  -2.782  -4.792
  171    H    ILE  28           H        ILE  28   7.869  -4.377  -4.476
  172    HA   ILE  28           HA       ILE  28   9.477  -6.126  -2.878
  173    HB   ILE  28           HB       ILE  28  10.321  -4.519  -5.331
  174   HG12  ILE  28          HG12      ILE  28   9.269  -7.359  -5.225
  175   HG13  ILE  28          HG11      ILE  28   8.333  -5.974  -5.772
  176   HG21  ILE  28          HG21      ILE  28  12.051  -6.239  -5.583
  177   HG22  ILE  28          HG22      ILE  28  11.492  -7.018  -4.105
  178   HG23  ILE  28          HG23      ILE  28  12.191  -5.401  -4.036
  179   HD11  ILE  28          HD11      ILE  28  10.841  -7.048  -7.050
  180   HD12  ILE  28          HD12      ILE  28   9.916  -5.656  -7.614
  181   HD13  ILE  28          HD13      ILE  28   9.193  -7.265  -7.640
  182    H    ALA  29           H        ALA  29   9.804  -2.805  -4.035
  183    HA   ALA  29           HA       ALA  29  11.591  -2.190  -1.791
  184    HB1  ALA  29           HB1      ALA  29  12.502  -1.661  -4.001
  185    HB2  ALA  29           HB2      ALA  29  12.189  -0.184  -3.093
  186    HB3  ALA  29           HB3      ALA  29  11.078  -0.690  -4.364
  187    HA   PRO  30           HA       PRO  30   8.073  -0.006  -0.189
  188    HB2  PRO  30           HB2      PRO  30   9.291   1.283   1.864
  189    HB3  PRO  30           HB1      PRO  30   8.905  -0.440   1.914
  190    HG2  PRO  30           HG2      PRO  30  11.517   0.901   1.404
  191    HG3  PRO  30           HG1      PRO  30  11.175  -0.602   2.274
  192    HD2  PRO  30           HD2      PRO  30  12.119  -0.470  -0.314
  193    HD3  PRO  30           HD1      PRO  30  11.242  -1.851   0.372
  194    H    CYS  31           H        CYS  31   7.158   1.866  -0.728
  195    HA   CYS  31           HA       CYS  31   8.682   3.911  -2.070
  196    HB2  CYS  31           HB2      CYS  31   6.397   4.855  -2.448
  197    HB3  CYS  31           HB1      CYS  31   6.572   3.191  -3.005
  198    H    LYS  32           H        LYS  32   8.393   3.284   1.022
  199    HA   LYS  32           HA       LYS  32   8.130   6.070   1.854
  200    HB2  LYS  32           HB2      LYS  32   7.083   3.584   3.214
  201    HB3  LYS  32           HB1      LYS  32   7.137   5.172   3.967
  202    HG2  LYS  32           HG2      LYS  32   5.530   6.043   2.485
  203    HG3  LYS  32           HG1      LYS  32   5.684   4.665   1.393
  204    HD2  LYS  32           HD2      LYS  32   4.700   3.210   3.023
  205    HD3  LYS  32           HD1      LYS  32   4.654   4.511   4.215
  206    HE2  LYS  32           HE2      LYS  32   3.060   5.719   2.906
  207    HE3  LYS  32           HE1      LYS  32   3.220   4.577   1.572
  208    HZ1  LYS  32           HZ1      LYS  32   1.221   4.233   2.990
  209    HZ2  LYS  32           HZ2      LYS  32   2.241   3.798   4.263
  210    HZ3  LYS  32           HZ3      LYS  32   2.228   2.904   2.817
  Start of MODEL    7
    1    H1   CYS   1           HT1      CYS   1  -6.062   4.627   7.780
    2    H2   CYS   1           HT2      CYS   1  -7.202   5.360   6.804
    3    H3   CYS   1           HT3      CYS   1  -5.794   6.209   7.263
    4    HA   CYS   1           HA       CYS   1  -5.645   5.408   5.000
    5    HB2  CYS   1           HB2      CYS   1  -3.527   4.063   5.316
    6    HB3  CYS   1           HB1      CYS   1  -3.570   5.587   6.189
    7    H    ALA   2           H        ALA   2  -5.318   3.441   3.639
    8    HA   ALA   2           HA       ALA   2  -7.363   1.501   4.299
    9    HB1  ALA   2           HB1      ALA   2  -7.307   2.469   2.061
   10    HB2  ALA   2           HB2      ALA   2  -7.051   0.726   1.996
   11    HB3  ALA   2           HB3      ALA   2  -5.684   1.827   1.811
   12    H    VAL   3           H        VAL   3  -7.021  -0.695   4.425
   13    HA   VAL   3           HA       VAL   3  -4.331  -1.381   5.326
   14    HB   VAL   3           HB       VAL   3  -5.330  -3.364   6.377
   15   HG11  VAL   3          HG11      VAL   3  -6.669  -2.241   8.086
   16   HG12  VAL   3          HG12      VAL   3  -6.766  -0.814   7.051
   17   HG13  VAL   3          3HG1      VAL   3  -5.207  -1.344   7.678
   18   HG21  VAL   3          HG21      VAL   3  -7.796  -3.634   6.444
   19   HG22  VAL   3          HG22      VAL   3  -7.117  -3.826   4.824
   20   HG23  VAL   3          HG23      VAL   3  -7.932  -2.333   5.252
   21    H    THR   4           H        THR   4  -4.150  -4.004   5.012
   22    HA   THR   4           HA       THR   4  -3.309  -4.284   2.361
   23    HB   THR   4           HB       THR   4  -3.898  -6.526   4.320
   24    HG1  THR   4           HG1      THR   4  -2.448  -4.727   5.020
   25   HG21  THR   4          HG21      THR   4  -2.125  -7.709   3.091
   26   HG22  THR   4          HG22      THR   4  -1.962  -6.327   2.004
   27   HG23  THR   4          HG23      THR   4  -3.451  -7.269   2.012
   28    H    HIS   5           H        HIS   5  -4.238  -4.997   0.591
   29    HA   HIS   5           HA       HIS   5  -5.602  -5.951  -0.905
   30    HB2  HIS   5           HB2      HIS   5  -7.168  -7.115   1.413
   31    HB3  HIS   5           HB1      HIS   5  -7.473  -7.479  -0.278
   32    HD1  HIS   5           HD1      HIS   5  -6.218  -9.231   2.350
   33    HD2  HIS   5           HD2      HIS   5  -4.526  -8.222  -1.309
   34    HE1  HIS   5           HE1      HIS   5  -4.381 -10.905   1.942
   35    H    GLU   6           H        GLU   6  -6.427  -3.507   1.064
   36    HA   GLU   6           HA       GLU   6  -8.985  -3.082  -0.237
   37    HB2  GLU   6           HB2      GLU   6  -7.525  -1.442   1.848
   38    HB3  GLU   6           HB1      GLU   6  -9.081  -0.994   1.144
   39    HG2  GLU   6           HG2      GLU   6  -9.888  -3.219   2.051
   40    HG3  GLU   6           HG1      GLU   6  -8.382  -3.250   2.967
   41    H    LYS   7           H        LYS   7  -9.348  -1.336  -1.612
   42    HA   LYS   7           HA       LYS   7  -7.251  -0.810  -3.411
   43    HB2  LYS   7           HB2      LYS   7  -9.903   0.591  -3.129
   44    HB3  LYS   7           HB1      LYS   7  -8.823   0.711  -4.513
   45    HG2  LYS   7           HG2      LYS   7  -9.074  -1.643  -4.961
   46    HG3  LYS   7           HG1      LYS   7 -10.093  -1.833  -3.543
   47    HD2  LYS   7           HD2      LYS   7 -11.660  -0.163  -4.585
   48    HD3  LYS   7           HD1      LYS   7 -10.677  -0.279  -6.044
   49    HE2  LYS   7           HE2      LYS   7 -12.599  -1.748  -6.191
   50    HE3  LYS   7           HE1      LYS   7 -11.104  -2.680  -6.149
   51    HZ1  LYS   7           HZ1      LYS   7 -12.857  -2.198  -3.793
   52    HZ2  LYS   7           HZ2      LYS   7 -11.489  -3.167  -3.819
   53    HZ3  LYS   7           HZ3      LYS   7 -12.854  -3.603  -4.708
   54    H    CYS   8           H        CYS   8  -6.156   1.087  -3.897
   55    HA   CYS   8           HA       CYS   8  -5.894   2.868  -1.578
   56    HB2  CYS   8           HB2      CYS   8  -3.518   3.066  -2.307
   57    HB3  CYS   8           HB1      CYS   8  -3.983   1.467  -1.735
   58    H    SER   9           H        SER   9  -5.562   5.019  -1.955
   59    HA   SER   9           HA       SER   9  -6.099   5.951  -4.675
   60    HB2  SER   9           HB2      SER   9  -6.059   7.483  -2.074
   61    HB3  SER   9           HB1      SER   9  -6.674   8.060  -3.625
   62    HG   SER   9           HG       SER   9  -7.929   6.733  -1.736
   63    H    ASP  10           H        ASP  10  -3.567   5.565  -2.392
   64    HA   ASP  10           HA       ASP  10  -1.584   6.744  -4.061
   65    HB2  ASP  10           HB2      ASP  10  -2.605   8.787  -2.940
   66    HB3  ASP  10           HB1      ASP  10  -2.148   8.096  -1.392
   67    H    ASP  11           H        ASP  11   0.565   6.580  -2.790
   68    HA   ASP  11           HA       ASP  11   0.690   3.981  -1.576
   69    HB2  ASP  11           HB2      ASP  11   2.814   6.120  -1.913
   70    HB3  ASP  11           HB1      ASP  11   3.121   4.513  -1.271
   71    H    TYR  12           H        TYR  12   0.766   7.313  -0.546
   72    HA   TYR  12           HA       TYR  12   1.349   6.618   2.194
   73    HB2  TYR  12           HB2      TYR  12   0.704   9.263   0.872
   74    HB3  TYR  12           HB1      TYR  12   1.102   9.079   2.577
   75    HD1  TYR  12           HD1      TYR  12   3.366   8.600   3.275
   76    HD2  TYR  12           HD2      TYR  12   2.432   8.988  -0.849
   77    HE1  TYR  12           HE1      TYR  12   5.762   8.769   2.750
   78    HE2  TYR  12           HE2      TYR  12   4.828   9.164  -1.383
   79    HH   TYR  12           HH       TYR  12   6.886   9.761  -0.304
   80    H    ASP  13           H        ASP  13  -1.231   6.256   0.372
   81    HA   ASP  13           HA       ASP  13  -3.267   7.093   2.274
   82    HB2  ASP  13           HB2      ASP  13  -3.768   7.457  -0.046
   83    HB3  ASP  13           HB1      ASP  13  -3.318   5.815  -0.463
   84    H    CYS  14           H        CYS  14  -1.268   4.475   1.641
   85    HA   CYS  14           HA       CYS  14  -3.058   2.487   2.788
   86    HB2  CYS  14           HB2      CYS  14  -0.298   2.234   1.591
   87    HB3  CYS  14           HB1      CYS  14  -1.296   0.902   2.171
   88    H    CYS  15           H        CYS  15  -2.553   1.363   4.664
   89    HA   CYS  15           HA       CYS  15  -1.150   2.825   6.674
   90    HB2  CYS  15           HB2      CYS  15  -2.305   0.039   6.747
   91    HB3  CYS  15           HB1      CYS  15  -1.804   0.983   8.145
   92    H    GLY  16           H        GLY  16   0.570   1.994   7.999
   93    HA2  GLY  16           HA2      GLY  16   2.612   1.100   8.411
   94    HA3  GLY  16           HA1      GLY  16   2.023  -0.334   7.590
   95    H    SER  17           H        SER  17   3.626  -0.939   6.296
   96    HA   SER  17           HA       SER  17   5.084   1.051   4.759
   97    HB2  SER  17           HB2      SER  17   6.553  -1.012   4.368
   98    HB3  SER  17           HB1      SER  17   6.509  -0.349   6.007
   99    HG   SER  17           HG       SER  17   5.302  -2.688   4.993
  100    H    LEU  18           H        LEU  18   2.299  -0.130   4.237
  101    HA   LEU  18           HA       LEU  18   2.603  -1.707   1.855
  102    HB2  LEU  18           HB2      LEU  18   0.194  -0.252   2.912
  103    HB3  LEU  18           HB1      LEU  18   0.182  -1.437   1.623
  104    HG   LEU  18           HG       LEU  18   0.803  -1.952   4.528
  105   HD11  LEU  18          HD11      LEU  18  -1.308  -3.180   4.483
  106   HD12  LEU  18          HD12      LEU  18  -1.576  -2.640   2.828
  107   HD13  LEU  18          HD13      LEU  18  -1.524  -1.464   4.142
  108   HD21  LEU  18          HD21      LEU  18   0.568  -3.883   2.218
  109   HD22  LEU  18          HD22      LEU  18   0.761  -4.325   3.914
  110   HD23  LEU  18          HD23      LEU  18   2.055  -3.472   3.073
  111    H    CYS  19           H        CYS  19   2.135  -1.047  -0.219
  112    HA   CYS  19           HA       CYS  19   2.207   1.832  -0.681
  113    HB2  CYS  19           HB2      CYS  19   3.632  -0.351  -2.218
  114    HB3  CYS  19           HB1      CYS  19   3.600   1.355  -2.661
  115    H    CYS  20           H        CYS  20   1.498   2.222  -3.063
  116    HA   CYS  20           HA       CYS  20  -1.088   0.899  -3.202
  117    HB2  CYS  20           HB2      CYS  20  -0.945   3.365  -3.089
  118    HB3  CYS  20           HB1      CYS  20  -0.069   3.360  -4.612
  119    H    VAL  21           H        VAL  21  -1.287  -0.710  -4.526
  120    HA   VAL  21           HA       VAL  21  -0.169  -0.559  -7.215
  121    HB   VAL  21           HB       VAL  21   0.270  -3.095  -7.100
  122   HG11  VAL  21          HG11      VAL  21   2.483  -2.870  -6.062
  123   HG12  VAL  21          HG12      VAL  21   1.992  -1.325  -5.367
  124   HG13  VAL  21          3HG1      VAL  21   2.113  -1.506  -7.117
  125   HG21  VAL  21          HG21      VAL  21   0.162  -2.578  -4.123
  126   HG22  VAL  21          HG22      VAL  21   0.719  -4.068  -4.887
  127   HG23  VAL  21          HG23      VAL  21  -0.968  -3.574  -5.040
  128    H    GLY  22           H        GLY  22  -2.628   0.215  -6.640
  129    HA2  GLY  22           HA2      GLY  22  -4.739  -0.189  -7.603
  130    HA3  GLY  22           HA1      GLY  22  -4.369  -1.916  -7.646
  131    H    ILE  23           H        ILE  23  -3.506  -2.441  -5.288
  132    HA   ILE  23           HA       ILE  23  -5.479  -1.597  -3.313
  133    HB   ILE  23           HB       ILE  23  -5.309  -3.895  -2.341
  134   HG12  ILE  23          HG12      ILE  23  -3.914  -4.590  -4.949
  135   HG13  ILE  23          HG11      ILE  23  -3.144  -4.521  -3.372
  136   HG21  ILE  23          HG21      ILE  23  -6.382  -3.796  -5.157
  137   HG22  ILE  23          HG22      ILE  23  -7.242  -3.335  -3.688
  138   HG23  ILE  23          HG23      ILE  23  -6.790  -5.019  -3.954
  139   HD11  ILE  23          HD11      ILE  23  -3.606  -6.811  -4.067
  140   HD12  ILE  23          HD12      ILE  23  -5.327  -6.436  -4.178
  141   HD13  ILE  23          HD13      ILE  23  -4.510  -6.388  -2.616
  142    H    CYS  24           H        CYS  24  -4.605  -1.821  -1.143
  143    HA   CYS  24           HA       CYS  24  -1.869  -1.028  -1.025
  144    HB2  CYS  24           HB2      CYS  24  -3.851  -1.643   1.165
  145    HB3  CYS  24           HB1      CYS  24  -2.253  -0.953   1.421
  146    H    ALA  25           H        ALA  25  -0.256  -2.344  -1.114
  147    HA   ALA  25           HA       ALA  25  -0.242  -4.829   0.370
  148    HB1  ALA  25           HB1      ALA  25   0.542  -6.104  -1.587
  149    HB2  ALA  25           HB2      ALA  25   0.262  -4.696  -2.612
  150    HB3  ALA  25           HB3      ALA  25  -1.098  -5.503  -1.829
  151    H    LYS  26           H        LYS  26   2.080  -5.730   0.207
  152    HA   LYS  26           HA       LYS  26   3.841  -3.453   0.523
  153    HB2  LYS  26           HB2      LYS  26   3.766  -5.357   2.213
  154    HB3  LYS  26           HB1      LYS  26   4.477  -6.379   0.974
  155    HG2  LYS  26           HG2      LYS  26   6.464  -4.972   0.918
  156    HG3  LYS  26           HG1      LYS  26   5.750  -3.900   2.120
  157    HD2  LYS  26           HD2      LYS  26   5.669  -5.816   3.701
  158    HD3  LYS  26           HD1      LYS  26   6.514  -6.794   2.502
  159    HE2  LYS  26           HE2      LYS  26   8.408  -5.249   2.562
  160    HE3  LYS  26           HE1      LYS  26   7.556  -4.243   3.730
  161    HZ1  LYS  26           HZ1      LYS  26   7.596  -6.133   5.276
  162    HZ2  LYS  26           HZ2      LYS  26   9.146  -5.668   4.851
  163    HZ3  LYS  26           HZ3      LYS  26   8.461  -7.039   4.163
  164    H    THR  27           H        THR  27   5.791  -3.259  -0.644
  165    HA   THR  27           HA       THR  27   5.704  -4.636  -3.205
  166    HB   THR  27           HB       THR  27   6.858  -2.510  -3.994
  167    HG1  THR  27           HG1      THR  27   7.225  -1.040  -2.577
  168   HG21  THR  27          HG21      THR  27   4.713  -1.254  -4.137
  169   HG22  THR  27          HG22      THR  27   4.018  -2.367  -2.956
  170   HG23  THR  27          HG23      THR  27   4.524  -2.958  -4.534
  171    H    ILE  28           H        ILE  28   7.901  -4.627  -4.275
  172    HA   ILE  28           HA       ILE  28   9.866  -5.693  -2.523
  173    HB   ILE  28           HB       ILE  28  10.164  -4.814  -5.421
  174   HG12  ILE  28          HG12      ILE  28   9.631  -7.559  -4.256
  175   HG13  ILE  28          HG11      ILE  28   8.442  -6.562  -5.083
  176   HG21  ILE  28          HG21      ILE  28  12.141  -6.286  -5.464
  177   HG22  ILE  28          HG22      ILE  28  11.935  -6.605  -3.741
  178   HG23  ILE  28          HG23      ILE  28  12.332  -4.979  -4.295
  179   HD11  ILE  28          HD11      ILE  28  10.935  -7.740  -6.297
  180   HD12  ILE  28          HD12      ILE  28   9.761  -6.735  -7.144
  181   HD13  ILE  28          HD13      ILE  28   9.285  -8.318  -6.530
  182    H    ALA  29           H        ALA  29   9.713  -2.703  -4.441
  183    HA   ALA  29           HA       ALA  29  11.797  -1.555  -2.765
  184    HB1  ALA  29           HB1      ALA  29  10.406  -0.474  -5.218
  185    HB2  ALA  29           HB2      ALA  29  12.015  -1.207  -5.161
  186    HB3  ALA  29           HB3      ALA  29  11.708   0.324  -4.340
  187    HA   PRO  30           HA       PRO  30   8.576   0.242  -0.276
  188    HB2  PRO  30           HB2      PRO  30  10.141   1.886   1.231
  189    HB3  PRO  30           HB1      PRO  30  10.027   0.145   1.501
  190    HG2  PRO  30           HG2      PRO  30  12.143   1.710   0.095
  191    HG3  PRO  30           HG1      PRO  30  12.316   0.311   1.168
  192    HD2  PRO  30           HD2      PRO  30  12.451   0.170  -1.553
  193    HD3  PRO  30           HD1      PRO  30  11.919  -1.186  -0.546
  194    H    CYS  31           H        CYS  31   7.335   2.068  -0.276
  195    HA   CYS  31           HA       CYS  31   8.057   4.110  -2.230
  196    HB2  CYS  31           HB2      CYS  31   5.618   4.571  -2.141
  197    HB3  CYS  31           HB1      CYS  31   6.017   2.927  -2.650
  198    H    LYS  32           H        LYS  32   8.049   3.697   1.111
  199    HA   LYS  32           HA       LYS  32   7.474   6.532   1.539
  200    HB2  LYS  32           HB2      LYS  32   7.138   4.276   3.523
  201    HB3  LYS  32           HB1      LYS  32   6.801   5.974   3.811
  202    HG2  LYS  32           HG2      LYS  32   5.023   5.895   2.128
  203    HG3  LYS  32           HG1      LYS  32   5.350   4.177   1.884
  204    HD2  LYS  32           HD2      LYS  32   4.854   3.776   4.263
  205    HD3  LYS  32           HD1      LYS  32   4.464   5.486   4.445
  206    HE2  LYS  32           HE2      LYS  32   2.697   5.220   2.745
  207    HE3  LYS  32           HE1      LYS  32   3.056   3.495   2.680
  208    HZ1  LYS  32           HZ1      LYS  32   2.520   3.348   5.038
  209    HZ2  LYS  32           HZ2      LYS  32   1.192   3.940   4.167
  210    HZ3  LYS  32           HZ3      LYS  32   2.143   4.987   5.065
  Start of MODEL    8
    1    H1   CYS   1           HT1      CYS   1  -6.194   5.769   7.343
    2    H2   CYS   1           HT2      CYS   1  -6.562   4.167   7.818
    3    H3   CYS   1           HT3      CYS   1  -7.527   4.955   6.697
    4    HA   CYS   1           HA       CYS   1  -5.814   4.986   5.108
    5    HB2  CYS   1           HB2      CYS   1  -3.704   3.729   5.611
    6    HB3  CYS   1           HB1      CYS   1  -3.881   5.209   6.540
    7    H    ALA   2           H        ALA   2  -5.490   3.164   3.716
    8    HA   ALA   2           HA       ALA   2  -7.347   1.026   4.311
    9    HB1  ALA   2           HB1      ALA   2  -7.453   2.135   2.140
   10    HB2  ALA   2           HB2      ALA   2  -7.024   0.436   1.949
   11    HB3  ALA   2           HB3      ALA   2  -5.782   1.681   1.815
   12    H    VAL   3           H        VAL   3  -6.759  -1.131   4.437
   13    HA   VAL   3           HA       VAL   3  -3.935  -1.554   5.043
   14    HB   VAL   3           HB       VAL   3  -4.601  -3.647   6.094
   15   HG11  VAL   3          HG11      VAL   3  -5.993  -2.800   7.923
   16   HG12  VAL   3          HG12      VAL   3  -6.381  -1.378   6.954
   17   HG13  VAL   3          3HG1      VAL   3  -4.720  -1.666   7.471
   18   HG21  VAL   3          HG21      VAL   3  -7.380  -2.982   5.142
   19   HG22  VAL   3          HG22      VAL   3  -6.997  -4.285   6.273
   20   HG23  VAL   3          HG23      VAL   3  -6.382  -4.331   4.615
   21    H    THR   4           H        THR   4  -3.480  -4.139   4.523
   22    HA   THR   4           HA       THR   4  -2.940  -4.222   1.826
   23    HB   THR   4           HB       THR   4  -3.217  -6.585   3.706
   24    HG1  THR   4           HG1      THR   4  -0.709  -5.804   3.503
   25   HG21  THR   4          HG21      THR   4  -1.455  -6.121   1.280
   26   HG22  THR   4          HG22      THR   4  -2.880  -7.157   1.320
   27   HG23  THR   4          HG23      THR   4  -1.463  -7.573   2.282
   28    H    HIS   5           H        HIS   5  -4.032  -4.848   0.136
   29    HA   HIS   5           HA       HIS   5  -5.473  -5.770  -1.263
   30    HB2  HIS   5           HB2      HIS   5  -6.673  -7.236   1.096
   31    HB3  HIS   5           HB1      HIS   5  -7.180  -7.476  -0.571
   32    HD1  HIS   5           HD1      HIS   5  -5.182  -9.102   1.829
   33    HD2  HIS   5           HD2      HIS   5  -4.611  -8.135  -2.171
   34    HE1  HIS   5           HE1      HIS   5  -3.402 -10.658   0.981
   35    H    GLU   6           H        GLU   6  -6.289  -3.540   0.993
   36    HA   GLU   6           HA       GLU   6  -8.943  -3.105  -0.124
   37    HB2  GLU   6           HB2      GLU   6  -7.317  -1.613   1.939
   38    HB3  GLU   6           HB1      GLU   6  -8.811  -0.945   1.279
   39    HG2  GLU   6           HG2      GLU   6  -9.909  -3.042   2.169
   40    HG3  GLU   6           HG1      GLU   6  -8.380  -3.361   2.995
   41    H    LYS   7           H        LYS   7  -9.422  -1.241  -1.398
   42    HA   LYS   7           HA       LYS   7  -7.495  -0.650  -3.357
   43    HB2  LYS   7           HB2      LYS   7 -10.036   0.810  -2.664
   44    HB3  LYS   7           HB1      LYS   7  -9.081   1.106  -4.113
   45    HG2  LYS   7           HG2      LYS   7  -9.485  -1.214  -4.810
   46    HG3  LYS   7           HG1      LYS   7 -10.487  -1.456  -3.389
   47    HD2  LYS   7           HD2      LYS   7 -11.035   0.540  -5.605
   48    HD3  LYS   7           HD1      LYS   7 -11.811  -1.028  -5.441
   49    HE2  LYS   7           HE2      LYS   7 -13.396   0.447  -4.552
   50    HE3  LYS   7           HE1      LYS   7 -12.570  -0.157  -3.126
   51    HZ1  LYS   7           HZ1      LYS   7 -12.909   2.200  -2.985
   52    HZ2  LYS   7           HZ2      LYS   7 -12.129   2.463  -4.438
   53    HZ3  LYS   7           HZ3      LYS   7 -11.247   1.955  -3.115
   54    H    CYS   8           H        CYS   8  -6.302   1.191  -3.765
   55    HA   CYS   8           HA       CYS   8  -5.898   2.898  -1.413
   56    HB2  CYS   8           HB2      CYS   8  -3.552   3.133  -2.275
   57    HB3  CYS   8           HB1      CYS   8  -3.978   1.534  -1.681
   58    H    SER   9           H        SER   9  -5.903   5.045  -1.678
   59    HA   SER   9           HA       SER   9  -6.540   6.094  -4.308
   60    HB2  SER   9           HB2      SER   9  -6.174   7.571  -1.696
   61    HB3  SER   9           HB1      SER   9  -7.042   8.128  -3.130
   62    HG   SER   9           HG       SER   9  -7.719   6.129  -1.283
   63    H    ASP  10           H        ASP  10  -3.889   5.737  -2.144
   64    HA   ASP  10           HA       ASP  10  -1.934   6.682  -3.952
   65    HB2  ASP  10           HB2      ASP  10  -2.810   8.867  -2.989
   66    HB3  ASP  10           HB1      ASP  10  -2.356   8.288  -1.393
   67    H    ASP  11           H        ASP  11   0.229   6.511  -2.678
   68    HA   ASP  11           HA       ASP  11   0.315   3.972  -1.401
   69    HB2  ASP  11           HB2      ASP  11   2.451   6.111  -1.495
   70    HB3  ASP  11           HB1      ASP  11   2.695   4.415  -1.100
   71    H    TYR  12           H        TYR  12   0.400   7.299  -0.293
   72    HA   TYR  12           HA       TYR  12   0.974   6.509   2.419
   73    HB2  TYR  12           HB2      TYR  12   0.328   9.198   1.219
   74    HB3  TYR  12           HB1      TYR  12   0.711   8.943   2.917
   75    HD1  TYR  12           HD1      TYR  12   2.960   8.839   3.643
   76    HD2  TYR  12           HD2      TYR  12   2.100   8.592  -0.510
   77    HE1  TYR  12           HE1      TYR  12   5.360   9.021   3.134
   78    HE2  TYR  12           HE2      TYR  12   4.498   8.768  -1.023
   79    HH   TYR  12           HH       TYR  12   6.491   9.627   0.001
   80    H    ASP  13           H        ASP  13  -1.681   6.412   0.583
   81    HA   ASP  13           HA       ASP  13  -3.635   7.010   2.638
   82    HB2  ASP  13           HB2      ASP  13  -4.169   7.489   0.288
   83    HB3  ASP  13           HB1      ASP  13  -3.855   5.821  -0.146
   84    H    CYS  14           H        CYS  14  -1.600   4.538   1.702
   85    HA   CYS  14           HA       CYS  14  -3.148   2.369   2.864
   86    HB2  CYS  14           HB2      CYS  14  -0.399   2.408   1.612
   87    HB3  CYS  14           HB1      CYS  14  -1.287   0.974   2.126
   88    H    CYS  15           H        CYS  15  -2.625   1.416   4.756
   89    HA   CYS  15           HA       CYS  15  -1.380   2.923   6.768
   90    HB2  CYS  15           HB2      CYS  15  -2.023  -0.025   6.758
   91    HB3  CYS  15           HB1      CYS  15  -1.691   0.954   8.178
   92    H    GLY  16           H        GLY  16   0.598   2.936   7.587
   93    HA2  GLY  16           HA2      GLY  16   2.738   2.403   8.082
   94    HA3  GLY  16           HA1      GLY  16   2.333   0.752   7.646
   95    H    SER  17           H        SER  17   3.894   0.085   6.386
   96    HA   SER  17           HA       SER  17   5.088   1.915   4.500
   97    HB2  SER  17           HB2      SER  17   6.784   0.045   4.344
   98    HB3  SER  17           HB1      SER  17   6.644   0.843   5.910
   99    HG   SER  17           HG       SER  17   6.215  -1.024   6.713
  100    H    LEU  18           H        LEU  18   2.410   0.354   4.185
  101    HA   LEU  18           HA       LEU  18   2.861  -1.354   1.931
  102    HB2  LEU  18           HB2      LEU  18   0.365   0.024   2.888
  103    HB3  LEU  18           HB1      LEU  18   0.402  -1.158   1.597
  104    HG   LEU  18           HG       LEU  18   1.083  -1.683   4.491
  105   HD11  LEU  18          HD11      LEU  18  -1.013  -2.936   4.493
  106   HD12  LEU  18          HD12      LEU  18  -1.308  -2.429   2.830
  107   HD13  LEU  18          HD13      LEU  18  -1.282  -1.230   4.125
  108   HD21  LEU  18          HD21      LEU  18   0.833  -3.567   2.142
  109   HD22  LEU  18          HD22      LEU  18   1.076  -4.040   3.823
  110   HD23  LEU  18          HD23      LEU  18   2.330  -3.140   2.973
  111    H    CYS  19           H        CYS  19   2.206  -0.912  -0.251
  112    HA   CYS  19           HA       CYS  19   2.321   1.933  -0.930
  113    HB2  CYS  19           HB2      CYS  19   3.588  -0.388  -2.406
  114    HB3  CYS  19           HB1      CYS  19   3.595   1.289  -2.943
  115    H    CYS  20           H        CYS  20   1.409   2.323  -3.137
  116    HA   CYS  20           HA       CYS  20  -1.162   0.990  -3.206
  117    HB2  CYS  20           HB2      CYS  20  -0.945   3.487  -3.231
  118    HB3  CYS  20           HB1      CYS  20  -0.158   3.357  -4.797
  119    H    VAL  21           H        VAL  21  -1.454  -0.687  -4.474
  120    HA   VAL  21           HA       VAL  21  -0.111  -0.826  -7.097
  121    HB   VAL  21           HB       VAL  21  -0.788  -3.225  -5.324
  122   HG11  VAL  21          HG11      VAL  21   0.707  -4.487  -6.793
  123   HG12  VAL  21          HG12      VAL  21   0.995  -3.028  -7.742
  124   HG13  VAL  21          3HG1      VAL  21  -0.616  -3.743  -7.694
  125   HG21  VAL  21          HG21      VAL  21   1.915  -1.907  -5.619
  126   HG22  VAL  21          HG22      VAL  21   1.613  -3.435  -4.795
  127   HG23  VAL  21          HG23      VAL  21   0.924  -1.938  -4.161
  128    H    GLY  22           H        GLY  22  -2.557   0.350  -6.421
  129    HA2  GLY  22           HA2      GLY  22  -4.685   0.376  -7.435
  130    HA3  GLY  22           HA1      GLY  22  -4.567  -1.372  -7.710
  131    H    ILE  23           H        ILE  23  -3.793  -2.248  -5.429
  132    HA   ILE  23           HA       ILE  23  -5.611  -1.370  -3.339
  133    HB   ILE  23           HB       ILE  23  -5.521  -3.753  -2.520
  134   HG12  ILE  23          HG12      ILE  23  -4.318  -4.288  -5.255
  135   HG13  ILE  23          HG11      ILE  23  -3.504  -4.483  -3.710
  136   HG21  ILE  23          HG21      ILE  23  -7.496  -2.962  -3.670
  137   HG22  ILE  23          HG22      ILE  23  -7.182  -4.644  -4.098
  138   HG23  ILE  23          HG23      ILE  23  -6.769  -3.355  -5.228
  139   HD11  ILE  23          HD11      ILE  23  -5.884  -6.063  -4.657
  140   HD12  ILE  23          HD12      ILE  23  -5.029  -6.295  -3.132
  141   HD13  ILE  23          HD13      ILE  23  -4.212  -6.615  -4.659
  142    H    CYS  24           H        CYS  24  -4.631  -1.578  -1.247
  143    HA   CYS  24           HA       CYS  24  -1.891  -0.865  -1.253
  144    HB2  CYS  24           HB2      CYS  24  -3.699  -1.653   1.032
  145    HB3  CYS  24           HB1      CYS  24  -2.109  -0.912   1.203
  146    H    ALA  25           H        ALA  25  -0.193  -2.131  -1.305
  147    HA   ALA  25           HA       ALA  25  -0.342  -4.804  -0.202
  148    HB1  ALA  25           HB1      ALA  25   0.474  -5.845  -2.248
  149    HB2  ALA  25           HB2      ALA  25   0.398  -4.291  -3.081
  150    HB3  ALA  25           HB3      ALA  25  -1.085  -5.065  -2.519
  151    H    LYS  26           H        LYS  26   1.816  -5.840  -0.344
  152    HA   LYS  26           HA       LYS  26   3.836  -3.904   0.401
  153    HB2  LYS  26           HB2      LYS  26   3.420  -5.739   1.940
  154    HB3  LYS  26           HB1      LYS  26   3.679  -6.911   0.668
  155    HG2  LYS  26           HG2      LYS  26   5.572  -6.799   2.219
  156    HG3  LYS  26           HG1      LYS  26   6.034  -6.362   0.579
  157    HD2  LYS  26           HD2      LYS  26   7.086  -4.893   2.224
  158    HD3  LYS  26           HD1      LYS  26   5.994  -4.003   1.179
  159    HE2  LYS  26           HE2      LYS  26   4.290  -4.001   2.939
  160    HE3  LYS  26           HE1      LYS  26   5.347  -4.966   3.970
  161    HZ1  LYS  26           HZ1      LYS  26   5.404  -2.593   4.540
  162    HZ2  LYS  26           HZ2      LYS  26   6.001  -2.227   3.000
  163    HZ3  LYS  26           HZ3      LYS  26   6.901  -3.172   4.051
  164    H    THR  27           H        THR  27   5.443  -3.363  -0.916
  165    HA   THR  27           HA       THR  27   5.849  -4.835  -3.383
  166    HB   THR  27           HB       THR  27   7.220  -2.739  -3.911
  167    HG1  THR  27           HG1      THR  27   7.469  -1.382  -2.334
  168   HG21  THR  27          HG21      THR  27   4.949  -3.070  -4.794
  169   HG22  THR  27          HG22      THR  27   5.216  -1.375  -4.383
  170   HG23  THR  27          HG23      THR  27   4.272  -2.407  -3.308
  171    H    ILE  28           H        ILE  28   8.180  -5.049  -4.060
  172    HA   ILE  28           HA       ILE  28   9.701  -6.320  -2.019
  173    HB   ILE  28           HB       ILE  28  10.598  -5.464  -4.803
  174   HG12  ILE  28          HG12      ILE  28   9.588  -8.144  -3.818
  175   HG13  ILE  28          HG11      ILE  28   8.673  -7.020  -4.815
  176   HG21  ILE  28          HG21      ILE  28  12.382  -7.136  -4.544
  177   HG22  ILE  28          HG22      ILE  28  11.849  -7.446  -2.892
  178   HG23  ILE  28          HG23      ILE  28  12.503  -5.866  -3.324
  179   HD11  ILE  28          HD11      ILE  28  10.306  -7.305  -6.615
  180   HD12  ILE  28          HD12      ILE  28   9.582  -8.842  -6.137
  181   HD13  ILE  28          HD13      ILE  28  11.214  -8.433  -5.606
  182    H    ALA  29           H        ALA  29   9.907  -3.251  -3.673
  183    HA   ALA  29           HA       ALA  29  11.967  -2.379  -1.790
  184    HB1  ALA  29           HB1      ALA  29  12.536  -0.674  -3.449
  185    HB2  ALA  29           HB2      ALA  29  11.240  -1.251  -4.495
  186    HB3  ALA  29           HB3      ALA  29  12.624  -2.289  -4.153
  187    HA   PRO  30           HA       PRO  30   8.809   0.153   0.153
  188    HB2  PRO  30           HB2      PRO  30  11.137   1.891   0.791
  189    HB3  PRO  30           HB1      PRO  30   9.916   1.214   1.873
  190    HG2  PRO  30           HG2      PRO  30  12.361   0.199   1.817
  191    HG3  PRO  30           HG1      PRO  30  10.948  -0.865   1.944
  192    HD2  PRO  30           HD2      PRO  30  12.667  -0.275  -0.429
  193    HD3  PRO  30           HD1      PRO  30  11.941  -1.808   0.107
  194    H    CYS  31           H        CYS  31   7.696   2.012  -0.297
  195    HA   CYS  31           HA       CYS  31   8.698   3.681  -2.493
  196    HB2  CYS  31           HB2      CYS  31   6.301   4.193  -2.877
  197    HB3  CYS  31           HB1      CYS  31   6.646   2.470  -3.013
  198    H    LYS  32           H        LYS  32   8.558   3.678   0.755
  199    HA   LYS  32           HA       LYS  32   8.031   6.558   0.922
  200    HB2  LYS  32           HB2      LYS  32   7.372   4.475   3.022
  201    HB3  LYS  32           HB1      LYS  32   7.104   6.204   3.165
  202    HG2  LYS  32           HG2      LYS  32   5.474   6.111   1.358
  203    HG3  LYS  32           HG1      LYS  32   5.763   4.381   1.181
  204    HD2  LYS  32           HD2      LYS  32   5.000   4.055   3.511
  205    HD3  LYS  32           HD1      LYS  32   4.630   5.781   3.603
  206    HE2  LYS  32           HE2      LYS  32   3.073   5.534   1.733
  207    HE3  LYS  32           HE1      LYS  32   3.436   3.814   1.662
  208    HZ1  LYS  32           HZ1      LYS  32   2.112   5.242   3.910
  209    HZ2  LYS  32           HZ2      LYS  32   2.595   3.657   3.975
  210    HZ3  LYS  32           HZ3      LYS  32   1.411   4.118   2.856
  Start of MODEL    9
    1    H1   CYS   1           HT1      CYS   1  -5.925   6.166   7.027
    2    H2   CYS   1           HT2      CYS   1  -6.297   4.603   7.575
    3    H3   CYS   1           HT3      CYS   1  -7.296   5.349   6.448
    4    HA   CYS   1           HA       CYS   1  -5.553   5.291   4.839
    5    HB2  CYS   1           HB2      CYS   1  -3.540   3.892   5.418
    6    HB3  CYS   1           HB1      CYS   1  -3.613   5.432   6.261
    7    H    ALA   2           H        ALA   2  -5.316   3.413   3.506
    8    HA   ALA   2           HA       ALA   2  -7.343   1.438   4.022
    9    HB1  ALA   2           HB1      ALA   2  -7.101   2.501   1.823
   10    HB2  ALA   2           HB2      ALA   2  -6.918   0.750   1.737
   11    HB3  ALA   2           HB3      ALA   2  -5.496   1.791   1.667
   12    H    VAL   3           H        VAL   3  -6.998  -0.702   4.289
   13    HA   VAL   3           HA       VAL   3  -4.320  -1.393   5.224
   14    HB   VAL   3           HB       VAL   3  -5.333  -3.370   6.255
   15   HG11  VAL   3          HG11      VAL   3  -6.734  -2.251   7.917
   16   HG12  VAL   3          HG12      VAL   3  -6.818  -0.830   6.872
   17   HG13  VAL   3          3HG1      VAL   3  -5.271  -1.336   7.551
   18   HG21  VAL   3          HG21      VAL   3  -7.797  -3.655   6.256
   19   HG22  VAL   3          HG22      VAL   3  -7.070  -3.849   4.656
   20   HG23  VAL   3          HG23      VAL   3  -7.905  -2.359   5.054
   21    H    THR   4           H        THR   4  -4.117  -4.039   4.901
   22    HA   THR   4           HA       THR   4  -3.178  -4.311   2.342
   23    HB   THR   4           HB       THR   4  -4.026  -6.603   4.099
   24    HG1  THR   4           HG1      THR   4  -1.755  -6.178   4.905
   25   HG21  THR   4          HG21      THR   4  -1.655  -6.117   2.281
   26   HG22  THR   4          HG22      THR   4  -3.055  -7.115   1.894
   27   HG23  THR   4          HG23      THR   4  -1.959  -7.598   3.189
   28    H    HIS   5           H        HIS   5  -4.061  -4.872   0.516
   29    HA   HIS   5           HA       HIS   5  -5.345  -5.674  -1.077
   30    HB2  HIS   5           HB2      HIS   5  -6.779  -7.197   1.095
   31    HB3  HIS   5           HB1      HIS   5  -7.239  -7.305  -0.602
   32    HD1  HIS   5           HD1      HIS   5  -5.271  -9.117   1.746
   33    HD2  HIS   5           HD2      HIS   5  -4.762  -7.969  -2.213
   34    HE1  HIS   5           HE1      HIS   5  -3.470 -10.592   0.819
   35    H    GLU   6           H        GLU   6  -6.456  -3.489   1.111
   36    HA   GLU   6           HA       GLU   6  -8.962  -3.031  -0.223
   37    HB2  GLU   6           HB2      GLU   6  -7.376  -1.338   1.714
   38    HB3  GLU   6           HB1      GLU   6  -8.884  -0.778   0.981
   39    HG2  GLU   6           HG2      GLU   6  -9.887  -2.863   2.028
   40    HG3  GLU   6           HG1      GLU   6  -8.380  -2.976   2.942
   41    H    LYS   7           H        LYS   7  -9.378  -0.983  -1.431
   42    HA   LYS   7           HA       LYS   7  -7.512  -0.749  -3.530
   43    HB2  LYS   7           HB2      LYS   7 -10.042  -0.531  -3.636
   44    HB3  LYS   7           HB1      LYS   7  -9.854   1.035  -2.865
   45    HG2  LYS   7           HG2      LYS   7  -8.555   1.828  -4.722
   46    HG3  LYS   7           HG1      LYS   7  -8.639   0.231  -5.475
   47    HD2  LYS   7           HD2      LYS   7 -10.299   1.586  -6.568
   48    HD3  LYS   7           HD1      LYS   7 -11.147   0.479  -5.500
   49    HE2  LYS   7           HE2      LYS   7 -12.130   2.680  -5.331
   50    HE3  LYS   7           HE1      LYS   7 -11.330   2.282  -3.814
   51    HZ1  LYS   7           HZ1      LYS   7 -10.884   4.559  -4.543
   52    HZ2  LYS   7           HZ2      LYS   7 -10.158   3.994  -5.950
   53    HZ3  LYS   7           HZ3      LYS   7  -9.469   3.664  -4.461
   54    H    CYS   8           H        CYS   8  -6.157   1.021  -3.988
   55    HA   CYS   8           HA       CYS   8  -5.701   2.747  -1.652
   56    HB2  CYS   8           HB2      CYS   8  -3.353   2.809  -2.335
   57    HB3  CYS   8           HB1      CYS   8  -3.894   1.170  -1.991
   58    H    SER   9           H        SER   9  -5.392   4.883  -1.977
   59    HA   SER   9           HA       SER   9  -5.792   5.879  -4.704
   60    HB2  SER   9           HB2      SER   9  -5.975   7.341  -2.056
   61    HB3  SER   9           HB1      SER   9  -6.468   7.960  -3.635
   62    HG   SER   9           HG       SER   9  -7.529   5.580  -2.579
   63    H    ASP  10           H        ASP  10  -3.438   5.478  -2.222
   64    HA   ASP  10           HA       ASP  10  -1.321   6.727  -3.683
   65    HB2  ASP  10           HB2      ASP  10  -2.508   8.707  -2.618
   66    HB3  ASP  10           HB1      ASP  10  -2.159   7.976  -1.056
   67    H    ASP  11           H        ASP  11   0.692   6.500  -2.343
   68    HA   ASP  11           HA       ASP  11   0.769   3.949  -1.031
   69    HB2  ASP  11           HB2      ASP  11   2.899   6.098  -1.165
   70    HB3  ASP  11           HB1      ASP  11   3.147   4.497  -0.487
   71    H    TYR  12           H        TYR  12   0.701   7.281   0.020
   72    HA   TYR  12           HA       TYR  12   1.033   6.540   2.795
   73    HB2  TYR  12           HB2      TYR  12   0.554   9.180   1.424
   74    HB3  TYR  12           HB1      TYR  12   0.640   9.007   3.173
   75    HD1  TYR  12           HD1      TYR  12   2.718   8.883   4.281
   76    HD2  TYR  12           HD2      TYR  12   2.596   8.608   0.038
   77    HE1  TYR  12           HE1      TYR  12   5.161   9.080   4.205
   78    HE2  TYR  12           HE2      TYR  12   5.043   8.806  -0.049
   79    HH   TYR  12           HH       TYR  12   6.857   9.639   1.305
   80    H    ASP  13           H        ASP  13  -1.378   6.476   0.616
   81    HA   ASP  13           HA       ASP  13  -3.553   7.038   2.428
   82    HB2  ASP  13           HB2      ASP  13  -3.951   7.537   0.116
   83    HB3  ASP  13           HB1      ASP  13  -3.377   5.957  -0.387
   84    H    CYS  14           H        CYS  14  -1.430   4.537   1.694
   85    HA   CYS  14           HA       CYS  14  -3.156   2.460   2.780
   86    HB2  CYS  14           HB2      CYS  14  -0.359   2.319   1.636
   87    HB3  CYS  14           HB1      CYS  14  -1.329   0.947   2.161
   88    H    CYS  15           H        CYS  15  -2.663   1.379   4.669
   89    HA   CYS  15           HA       CYS  15  -1.422   2.904   6.699
   90    HB2  CYS  15           HB2      CYS  15  -2.364   0.040   6.738
   91    HB3  CYS  15           HB1      CYS  15  -1.921   0.991   8.151
   92    H    GLY  16           H        GLY  16   0.469   2.698   7.713
   93    HA2  GLY  16           HA2      GLY  16   2.605   2.118   8.187
   94    HA3  GLY  16           HA1      GLY  16   2.057   0.472   7.966
   95    H    SER  17           H        SER  17   3.346  -0.588   6.731
   96    HA   SER  17           HA       SER  17   5.113   0.749   4.928
   97    HB2  SER  17           HB2      SER  17   6.078  -1.620   4.839
   98    HB3  SER  17           HB1      SER  17   6.167  -0.740   6.367
   99    HG   SER  17           HG       SER  17   5.234  -2.425   7.136
  100    H    LEU  18           H        LEU  18   2.088  -0.066   4.395
  101    HA   LEU  18           HA       LEU  18   2.388  -1.775   2.089
  102    HB2  LEU  18           HB2      LEU  18   0.022  -0.229   3.079
  103    HB3  LEU  18           HB1      LEU  18  -0.011  -1.394   1.770
  104    HG   LEU  18           HG       LEU  18   0.516  -1.959   4.681
  105   HD11  LEU  18          HD11      LEU  18  -1.621  -3.153   4.498
  106   HD12  LEU  18          HD12      LEU  18  -1.772  -2.544   2.849
  107   HD13  LEU  18          HD13      LEU  18  -1.768  -1.419   4.208
  108   HD21  LEU  18          HD21      LEU  18   1.802  -3.491   3.268
  109   HD22  LEU  18          HD22      LEU  18   0.354  -3.852   2.330
  110   HD23  LEU  18          HD23      LEU  18   0.448  -4.329   4.025
  111    H    CYS  19           H        CYS  19   1.939  -1.167  -0.037
  112    HA   CYS  19           HA       CYS  19   2.298   1.681  -0.585
  113    HB2  CYS  19           HB2      CYS  19   3.421  -0.704  -2.060
  114    HB3  CYS  19           HB1      CYS  19   3.673   0.991  -2.471
  115    H    CYS  20           H        CYS  20   1.517   2.206  -2.800
  116    HA   CYS  20           HA       CYS  20  -1.057   0.913  -3.160
  117    HB2  CYS  20           HB2      CYS  20  -0.946   3.368  -2.954
  118    HB3  CYS  20           HB1      CYS  20   0.066   3.430  -4.391
  119    H    VAL  21           H        VAL  21  -1.227  -0.626  -4.554
  120    HA   VAL  21           HA       VAL  21   0.005  -0.383  -7.172
  121    HB   VAL  21           HB       VAL  21   1.484  -1.786  -5.708
  122   HG11  VAL  21          HG11      VAL  21  -0.061  -2.778  -4.215
  123   HG12  VAL  21          HG12      VAL  21   0.850  -4.045  -5.037
  124   HG13  VAL  21          3HG1      VAL  21  -0.810  -3.697  -5.522
  125   HG21  VAL  21          HG21      VAL  21   1.628  -2.180  -8.063
  126   HG22  VAL  21          HG22      VAL  21   0.225  -3.239  -8.024
  127   HG23  VAL  21          HG23      VAL  21   1.726  -3.738  -7.240
  128    H    GLY  22           H        GLY  22  -2.536   0.261  -6.415
  129    HA2  GLY  22           HA2      GLY  22  -4.660  -0.099  -7.394
  130    HA3  GLY  22           HA1      GLY  22  -4.229  -1.794  -7.666
  131    H    ILE  23           H        ILE  23  -3.293  -2.541  -5.407
  132    HA   ILE  23           HA       ILE  23  -5.367  -2.150  -3.367
  133    HB   ILE  23           HB       ILE  23  -4.659  -4.388  -2.510
  134   HG12  ILE  23          HG12      ILE  23  -3.145  -4.626  -5.126
  135   HG13  ILE  23          HG11      ILE  23  -2.404  -4.414  -3.548
  136   HG21  ILE  23          HG21      ILE  23  -6.660  -4.251  -3.848
  137   HG22  ILE  23          HG22      ILE  23  -5.805  -5.750  -4.214
  138   HG23  ILE  23          HG23      ILE  23  -5.714  -4.387  -5.331
  139   HD11  ILE  23          HD11      ILE  23  -4.060  -6.773  -4.411
  140   HD12  ILE  23          HD12      ILE  23  -3.262  -6.575  -2.847
  141   HD13  ILE  23          HD13      ILE  23  -2.299  -6.724  -4.317
  142    H    CYS  24           H        CYS  24  -4.515  -1.983  -1.227
  143    HA   CYS  24           HA       CYS  24  -1.825  -1.028  -1.086
  144    HB2  CYS  24           HB2      CYS  24  -3.840  -1.611   1.089
  145    HB3  CYS  24           HB1      CYS  24  -2.252  -0.908   1.377
  146    H    ALA  25           H        ALA  25  -0.202  -2.287  -1.164
  147    HA   ALA  25           HA       ALA  25  -0.116  -4.766   0.353
  148    HB1  ALA  25           HB1      ALA  25   0.374  -4.626  -2.627
  149    HB2  ALA  25           HB2      ALA  25  -0.966  -5.456  -1.838
  150    HB3  ALA  25           HB3      ALA  25   0.687  -6.029  -1.607
  151    H    LYS  26           H        LYS  26   2.076  -5.493   0.563
  152    HA   LYS  26           HA       LYS  26   3.925  -3.260   0.544
  153    HB2  LYS  26           HB2      LYS  26   3.751  -4.666   2.546
  154    HB3  LYS  26           HB1      LYS  26   4.216  -6.078   1.613
  155    HG2  LYS  26           HG2      LYS  26   6.416  -5.066   1.194
  156    HG3  LYS  26           HG1      LYS  26   5.940  -3.668   2.151
  157    HD2  LYS  26           HD2      LYS  26   6.037  -6.493   3.204
  158    HD3  LYS  26           HD1      LYS  26   7.332  -5.318   3.401
  159    HE2  LYS  26           HE2      LYS  26   5.798  -3.842   4.631
  160    HE3  LYS  26           HE1      LYS  26   4.503  -5.017   4.426
  161    HZ1  LYS  26           HZ1      LYS  26   7.040  -5.538   5.873
  162    HZ2  LYS  26           HZ2      LYS  26   5.742  -6.590   5.732
  163    HZ3  LYS  26           HZ3      LYS  26   5.572  -5.165   6.604
  164    H    THR  27           H        THR  27   5.110  -2.900  -1.214
  165    HA   THR  27           HA       THR  27   5.497  -4.965  -3.168
  166    HB   THR  27           HB       THR  27   6.565  -2.985  -4.400
  167    HG1  THR  27           HG1      THR  27   7.002  -1.516  -2.784
  168   HG21  THR  27          HG21      THR  27   3.684  -2.753  -3.490
  169   HG22  THR  27          HG22      THR  27   4.255  -3.745  -4.830
  170   HG23  THR  27          HG23      THR  27   4.370  -1.988  -4.923
  171    H    ILE  28           H        ILE  28   7.779  -4.881  -4.258
  172    HA   ILE  28           HA       ILE  28   9.692  -5.667  -2.281
  173    HB   ILE  28           HB       ILE  28  10.066  -5.289  -5.280
  174   HG12  ILE  28          HG12      ILE  28   9.462  -7.812  -3.713
  175   HG13  ILE  28          HG11      ILE  28   8.302  -6.938  -4.702
  176   HG21  ILE  28          HG21      ILE  28  12.193  -5.295  -4.074
  177   HG22  ILE  28          HG22      ILE  28  12.012  -6.774  -5.018
  178   HG23  ILE  28          HG23      ILE  28  11.749  -6.804  -3.275
  179   HD11  ILE  28          HD11      ILE  28   9.639  -7.428  -6.690
  180   HD12  ILE  28          HD12      ILE  28   9.151  -8.901  -5.852
  181   HD13  ILE  28          HD13      ILE  28  10.801  -8.299  -5.689
  182    H    ALA  29           H        ALA  29   9.310  -2.985  -4.517
  183    HA   ALA  29           HA       ALA  29  11.616  -1.608  -3.470
  184    HB1  ALA  29           HB1      ALA  29   9.495  -0.708  -5.432
  185    HB2  ALA  29           HB2      ALA  29  11.050  -1.421  -5.855
  186    HB3  ALA  29           HB3      ALA  29  10.988   0.156  -5.067
  187    HA   PRO  30           HA       PRO  30   9.292   0.424  -0.255
  188    HB2  PRO  30           HB2      PRO  30  10.959   2.527   0.209
  189    HB3  PRO  30           HB1      PRO  30  11.314   0.891   0.771
  190    HG2  PRO  30           HG2      PRO  30  12.334   2.337  -1.625
  191    HG3  PRO  30           HG1      PRO  30  13.215   1.308  -0.482
  192    HD2  PRO  30           HD2      PRO  30  12.413   0.421  -2.912
  193    HD3  PRO  30           HD1      PRO  30  12.494  -0.645  -1.496
  194    H    CYS  31           H        CYS  31   7.790   2.012  -0.151
  195    HA   CYS  31           HA       CYS  31   7.619   3.788  -2.481
  196    HB2  CYS  31           HB2      CYS  31   5.186   3.811  -1.982
  197    HB3  CYS  31           HB1      CYS  31   5.822   2.226  -2.420
  198    H    LYS  32           H        LYS  32   8.334   3.800   0.758
  199    HA   LYS  32           HA       LYS  32   7.651   6.628   0.933
  200    HB2  LYS  32           HB2      LYS  32   7.421   4.608   3.199
  201    HB3  LYS  32           HB1      LYS  32   7.210   6.344   3.346
  202    HG2  LYS  32           HG2      LYS  32   5.269   6.171   1.857
  203    HG3  LYS  32           HG1      LYS  32   5.485   4.418   1.822
  204    HD2  LYS  32           HD2      LYS  32   5.273   4.372   4.270
  205    HD3  LYS  32           HD1      LYS  32   4.962   6.115   4.269
  206    HE2  LYS  32           HE2      LYS  32   2.866   5.103   4.377
  207    HE3  LYS  32           HE1      LYS  32   3.077   5.581   2.686
  208    HZ1  LYS  32           HZ1      LYS  32   3.816   3.215   2.272
  209    HZ2  LYS  32           HZ2      LYS  32   2.208   3.365   2.698
  210    HZ3  LYS  32           HZ3      LYS  32   3.339   2.878   3.846
  Start of MODEL   10
    1    H1   CYS   1           HT1      CYS   1  -7.046   5.652   6.143
    2    H2   CYS   1           HT2      CYS   1  -5.620   6.357   6.736
    3    H3   CYS   1           HT3      CYS   1  -6.213   4.922   7.423
    4    HA   CYS   1           HA       CYS   1  -5.300   5.259   4.664
    5    HB2  CYS   1           HB2      CYS   1  -3.410   3.801   5.389
    6    HB3  CYS   1           HB1      CYS   1  -3.406   5.366   6.182
    7    H    ALA   2           H        ALA   2  -5.206   3.283   3.492
    8    HA   ALA   2           HA       ALA   2  -7.341   1.450   4.173
    9    HB1  ALA   2           HB1      ALA   2  -5.644   1.710   1.688
   10    HB2  ALA   2           HB2      ALA   2  -7.238   2.422   1.919
   11    HB3  ALA   2           HB3      ALA   2  -7.056   0.669   1.868
   12    H    VAL   3           H        VAL   3  -7.003  -0.784   4.269
   13    HA   VAL   3           HA       VAL   3  -4.301  -1.457   5.158
   14    HB   VAL   3           HB       VAL   3  -5.277  -3.431   6.237
   15   HG11  VAL   3          HG11      VAL   3  -6.613  -2.297   7.951
   16   HG12  VAL   3          HG12      VAL   3  -6.726  -0.881   6.904
   17   HG13  VAL   3          3HG1      VAL   3  -5.158  -1.396   7.523
   18   HG21  VAL   3          HG21      VAL   3  -7.096  -3.911   4.705
   19   HG22  VAL   3          HG22      VAL   3  -7.904  -2.419   5.153
   20   HG23  VAL   3          HG23      VAL   3  -7.740  -3.721   6.340
   21    H    THR   4           H        THR   4  -4.105  -4.066   4.842
   22    HA   THR   4           HA       THR   4  -3.307  -4.427   2.215
   23    HB   THR   4           HB       THR   4  -4.052  -6.585   4.212
   24    HG1  THR   4           HG1      THR   4  -2.552  -5.263   5.171
   25   HG21  THR   4          HG21      THR   4  -2.368  -7.918   3.024
   26   HG22  THR   4          HG22      THR   4  -2.105  -6.582   1.900
   27   HG23  THR   4          HG23      THR   4  -3.656  -7.419   1.925
   28    H    HIS   5           H        HIS   5  -4.292  -5.012   0.424
   29    HA   HIS   5           HA       HIS   5  -5.700  -5.786  -1.091
   30    HB2  HIS   5           HB2      HIS   5  -7.128  -7.159   1.188
   31    HB3  HIS   5           HB1      HIS   5  -7.637  -7.307  -0.490
   32    HD1  HIS   5           HD1      HIS   5  -5.600  -9.004   1.948
   33    HD2  HIS   5           HD2      HIS   5  -5.369  -8.344  -2.153
   34    HE1  HIS   5           HE1      HIS   5  -4.037 -10.745   1.045
   35    H    GLU   6           H        GLU   6  -6.564  -3.498   1.091
   36    HA   GLU   6           HA       GLU   6  -9.098  -2.957  -0.199
   37    HB2  GLU   6           HB2      GLU   6  -7.527  -1.379   1.839
   38    HB3  GLU   6           HB1      GLU   6  -9.049  -0.826   1.143
   39    HG2  GLU   6           HG2      GLU   6 -10.040  -2.946   2.086
   40    HG3  GLU   6           HG1      GLU   6  -8.521  -3.136   2.968
   41    H    LYS   7           H        LYS   7  -9.446  -1.040  -1.418
   42    HA   LYS   7           HA       LYS   7  -7.376  -0.682  -3.324
   43    HB2  LYS   7           HB2      LYS   7  -9.987   0.771  -2.997
   44    HB3  LYS   7           HB1      LYS   7  -8.903   0.911  -4.376
   45    HG2  LYS   7           HG2      LYS   7  -9.208  -1.488  -4.830
   46    HG3  LYS   7           HG1      LYS   7 -10.336  -1.578  -3.476
   47    HD2  LYS   7           HD2      LYS   7 -11.567  -1.383  -5.538
   48    HD3  LYS   7           HD1      LYS   7 -11.757   0.094  -4.594
   49    HE2  LYS   7           HE2      LYS   7 -10.038   1.184  -5.954
   50    HE3  LYS   7           HE1      LYS   7  -9.853  -0.294  -6.898
   51    HZ1  LYS   7           HZ1      LYS   7 -11.222   1.309  -8.008
   52    HZ2  LYS   7           HZ2      LYS   7 -12.301   1.374  -6.719
   53    HZ3  LYS   7           HZ3      LYS   7 -12.137  -0.046  -7.625
   54    H    CYS   8           H        CYS   8  -6.129   1.050  -3.737
   55    HA   CYS   8           HA       CYS   8  -5.931   3.012  -1.560
   56    HB2  CYS   8           HB2      CYS   8  -3.530   3.049  -2.149
   57    HB3  CYS   8           HB1      CYS   8  -4.088   1.496  -1.532
   58    H    SER   9           H        SER   9  -5.499   5.111  -2.134
   59    HA   SER   9           HA       SER   9  -5.650   5.715  -4.992
   60    HB2  SER   9           HB2      SER   9  -6.104   8.066  -4.191
   61    HB3  SER   9           HB1      SER   9  -7.340   6.885  -3.769
   62    HG   SER   9           HG       SER   9  -6.344   6.759  -1.658
   63    H    ASP  10           H        ASP  10  -3.608   5.841  -2.224
   64    HA   ASP  10           HA       ASP  10  -1.379   6.656  -3.855
   65    HB2  ASP  10           HB2      ASP  10  -2.282   8.824  -3.001
   66    HB3  ASP  10           HB1      ASP  10  -2.137   8.208  -1.358
   67    H    ASP  11           H        ASP  11   0.623   6.448  -2.518
   68    HA   ASP  11           HA       ASP  11   0.615   3.888  -1.263
   69    HB2  ASP  11           HB2      ASP  11   2.823   5.946  -1.418
   70    HB3  ASP  11           HB1      ASP  11   3.019   4.262  -0.947
   71    H    TYR  12           H        TYR  12   0.809   7.220  -0.155
   72    HA   TYR  12           HA       TYR  12   1.304   6.443   2.572
   73    HB2  TYR  12           HB2      TYR  12   0.668   9.118   1.303
   74    HB3  TYR  12           HB1      TYR  12   0.996   8.910   3.021
   75    HD1  TYR  12           HD1      TYR  12   2.527   8.241  -0.330
   76    HD2  TYR  12           HD2      TYR  12   3.190   9.155   3.769
   77    HE1  TYR  12           HE1      TYR  12   4.923   8.494  -0.783
   78    HE2  TYR  12           HE2      TYR  12   5.594   9.407   3.320
   79    HH   TYR  12           HH       TYR  12   6.824   9.617   0.175
   80    H    ASP  13           H        ASP  13  -1.288   6.391   0.597
   81    HA   ASP  13           HA       ASP  13  -3.342   6.940   2.565
   82    HB2  ASP  13           HB2      ASP  13  -3.803   7.582   0.261
   83    HB3  ASP  13           HB1      ASP  13  -3.395   5.983  -0.317
   84    H    CYS  14           H        CYS  14  -1.257   4.466   1.812
   85    HA   CYS  14           HA       CYS  14  -3.018   2.357   2.802
   86    HB2  CYS  14           HB2      CYS  14  -0.255   2.245   1.585
   87    HB3  CYS  14           HB1      CYS  14  -1.170   0.852   2.164
   88    H    CYS  15           H        CYS  15  -2.666   1.367   4.719
   89    HA   CYS  15           HA       CYS  15  -1.264   2.760   6.755
   90    HB2  CYS  15           HB2      CYS  15  -2.397  -0.035   6.774
   91    HB3  CYS  15           HB1      CYS  15  -1.947   0.903   8.193
   92    H    GLY  16           H        GLY  16   0.419   1.842   8.146
   93    HA2  GLY  16           HA2      GLY  16   2.394   0.857   8.597
   94    HA3  GLY  16           HA1      GLY  16   1.878  -0.460   7.555
   95    H    SER  17           H        SER  17   3.580  -0.856   6.352
   96    HA   SER  17           HA       SER  17   4.906   1.374   5.010
   97    HB2  SER  17           HB2      SER  17   6.683  -0.450   4.606
   98    HB3  SER  17           HB1      SER  17   6.498   0.167   6.250
   99    HG   SER  17           HG       SER  17   5.372  -1.636   6.805
  100    H    LEU  18           H        LEU  18   2.353  -0.183   4.389
  101    HA   LEU  18           HA       LEU  18   2.834  -1.696   2.029
  102    HB2  LEU  18           HB2      LEU  18   0.291  -0.384   2.970
  103    HB3  LEU  18           HB1      LEU  18   0.408  -1.623   1.738
  104    HG   LEU  18           HG       LEU  18   1.001  -1.975   4.678
  105   HD11  LEU  18          HD11      LEU  18  -1.358  -1.683   4.237
  106   HD12  LEU  18          HD12      LEU  18  -1.013  -3.358   4.675
  107   HD13  LEU  18          HD13      LEU  18  -1.297  -2.927   2.989
  108   HD21  LEU  18          HD21      LEU  18   0.972  -4.001   2.437
  109   HD22  LEU  18          HD22      LEU  18   1.141  -4.369   4.153
  110   HD23  LEU  18          HD23      LEU  18   2.394  -3.447   3.324
  111    H    CYS  19           H        CYS  19   2.226  -1.128  -0.088
  112    HA   CYS  19           HA       CYS  19   2.292   1.734  -0.657
  113    HB2  CYS  19           HB2      CYS  19   3.660  -0.519  -2.137
  114    HB3  CYS  19           HB1      CYS  19   3.617   1.162  -2.663
  115    H    CYS  20           H        CYS  20   1.526   2.081  -2.986
  116    HA   CYS  20           HA       CYS  20  -1.050   0.739  -3.118
  117    HB2  CYS  20           HB2      CYS  20  -0.951   3.198  -2.933
  118    HB3  CYS  20           HB1      CYS  20  -0.086   3.258  -4.463
  119    H    VAL  21           H        VAL  21  -1.309  -0.838  -4.528
  120    HA   VAL  21           HA       VAL  21  -0.265  -0.540  -7.243
  121    HB   VAL  21           HB       VAL  21   0.063  -3.069  -7.346
  122   HG11  VAL  21          HG11      VAL  21   1.831  -1.604  -5.396
  123   HG12  VAL  21          HG12      VAL  21   1.993  -1.616  -7.153
  124   HG13  VAL  21          3HG1      VAL  21   2.249  -3.099  -6.232
  125   HG21  VAL  21          HG21      VAL  21  -1.261  -3.709  -5.391
  126   HG22  VAL  21          HG22      VAL  21  -0.126  -2.874  -4.334
  127   HG23  VAL  21          HG23      VAL  21   0.395  -4.299  -5.234
  128    H    GLY  22           H        GLY  22  -2.643   0.330  -6.534
  129    HA2  GLY  22           HA2      GLY  22  -4.809   0.141  -7.458
  130    HA3  GLY  22           HA1      GLY  22  -4.561  -1.603  -7.638
  131    H    ILE  23           H        ILE  23  -3.694  -2.372  -5.380
  132    HA   ILE  23           HA       ILE  23  -5.511  -1.507  -3.260
  133    HB   ILE  23           HB       ILE  23  -5.413  -3.857  -2.397
  134   HG12  ILE  23          HG12      ILE  23  -4.201  -4.472  -5.111
  135   HG13  ILE  23          HG11      ILE  23  -3.369  -4.581  -3.567
  136   HG21  ILE  23          HG21      ILE  23  -7.049  -4.796  -3.963
  137   HG22  ILE  23          HG22      ILE  23  -6.626  -3.543  -5.129
  138   HG23  ILE  23          HG23      ILE  23  -7.373  -3.101  -3.593
  139   HD11  ILE  23          HD11      ILE  23  -4.856  -6.384  -2.886
  140   HD12  ILE  23          HD12      ILE  23  -4.040  -6.768  -4.401
  141   HD13  ILE  23          HD13      ILE  23  -5.725  -6.251  -4.413
  142    H    CYS  24           H        CYS  24  -4.574  -1.773  -1.143
  143    HA   CYS  24           HA       CYS  24  -1.827  -1.048  -1.102
  144    HB2  CYS  24           HB2      CYS  24  -3.689  -1.769   1.155
  145    HB3  CYS  24           HB1      CYS  24  -2.090  -1.058   1.350
  146    H    ALA  25           H        ALA  25  -0.127  -2.289  -1.089
  147    HA   ALA  25           HA       ALA  25  -0.159  -4.910   0.164
  148    HB1  ALA  25           HB1      ALA  25   0.745  -6.004  -1.825
  149    HB2  ALA  25           HB2      ALA  25   0.609  -4.496  -2.725
  150    HB3  ALA  25           HB3      ALA  25  -0.847  -5.321  -2.174
  151    H    LYS  26           H        LYS  26   2.109  -5.747   0.255
  152    HA   LYS  26           HA       LYS  26   3.904  -3.499   0.659
  153    HB2  LYS  26           HB2      LYS  26   3.670  -5.100   2.510
  154    HB3  LYS  26           HB1      LYS  26   4.141  -6.414   1.449
  155    HG2  LYS  26           HG2      LYS  26   5.955  -5.752   2.956
  156    HG3  LYS  26           HG1      LYS  26   6.382  -5.506   1.264
  157    HD2  LYS  26           HD2      LYS  26   5.922  -3.120   1.477
  158    HD3  LYS  26           HD1      LYS  26   5.428  -3.350   3.155
  159    HE2  LYS  26           HE2      LYS  26   7.740  -2.489   2.950
  160    HE3  LYS  26           HE1      LYS  26   7.669  -4.054   3.756
  161    HZ1  LYS  26           HZ1      LYS  26   8.338  -5.109   1.699
  162    HZ2  LYS  26           HZ2      LYS  26   9.475  -3.972   2.125
  163    HZ3  LYS  26           HZ3      LYS  26   8.376  -3.643   0.894
  164    H    THR  27           H        THR  27   5.206  -2.948  -0.954
  165    HA   THR  27           HA       THR  27   5.792  -4.804  -3.074
  166    HB   THR  27           HB       THR  27   6.882  -2.692  -3.997
  167    HG1  THR  27           HG1      THR  27   6.947  -1.007  -2.734
  168   HG21  THR  27          HG21      THR  27   4.716  -1.640  -4.538
  169   HG22  THR  27          HG22      THR  27   3.946  -2.575  -3.257
  170   HG23  THR  27          HG23      THR  27   4.617  -3.395  -4.665
  171    H    ILE  28           H        ILE  28   8.073  -4.876  -3.823
  172    HA   ILE  28           HA       ILE  28   9.901  -5.422  -1.682
  173    HB   ILE  28           HB       ILE  28  10.539  -5.140  -4.637
  174   HG12  ILE  28          HG12      ILE  28   9.713  -7.654  -3.165
  175   HG13  ILE  28          HG11      ILE  28   8.669  -6.743  -4.248
  176   HG21  ILE  28          HG21      ILE  28  12.386  -6.682  -4.109
  177   HG22  ILE  28          HG22      ILE  28  11.898  -6.677  -2.415
  178   HG23  ILE  28          HG23      ILE  28  12.487  -5.194  -3.165
  179   HD11  ILE  28          HD11      ILE  28  10.166  -7.211  -6.106
  180   HD12  ILE  28          HD12      ILE  28   9.621  -8.704  -5.339
  181   HD13  ILE  28          HD13      ILE  28  11.244  -8.089  -5.022
  182    H    ALA  29           H        ALA  29   9.432  -2.959  -4.135
  183    HA   ALA  29           HA       ALA  29  11.676  -1.406  -3.193
  184    HB1  ALA  29           HB1      ALA  29  11.206  -1.525  -5.593
  185    HB2  ALA  29           HB2      ALA  29  11.124   0.127  -4.987
  186    HB3  ALA  29           HB3      ALA  29   9.636  -0.764  -5.318
  187    HA   PRO  30           HA       PRO  30   9.088   0.690  -0.288
  188    HB2  PRO  30           HB2      PRO  30  10.865   2.615   0.442
  189    HB3  PRO  30           HB1      PRO  30  10.925   0.949   1.029
  190    HG2  PRO  30           HG2      PRO  30  12.538   2.261  -1.107
  191    HG3  PRO  30           HG1      PRO  30  13.035   1.074   0.109
  192    HD2  PRO  30           HD2      PRO  30  12.504   0.447  -2.488
  193    HD3  PRO  30           HD1      PRO  30  12.308  -0.702  -1.161
  194    H    CYS  31           H        CYS  31   7.513   1.997  -0.784
  195    HA   CYS  31           HA       CYS  31   7.846   4.077  -2.771
  196    HB2  CYS  31           HB2      CYS  31   5.399   4.358  -2.429
  197    HB3  CYS  31           HB1      CYS  31   5.842   2.706  -2.853
  198    H    LYS  32           H        LYS  32   7.593   3.627   0.636
  199    HA   LYS  32           HA       LYS  32   7.404   6.494   1.103
  200    HB2  LYS  32           HB2      LYS  32   7.284   4.197   3.079
  201    HB3  LYS  32           HB1      LYS  32   6.945   5.886   3.421
  202    HG2  LYS  32           HG2      LYS  32   5.007   5.793   1.927
  203    HG3  LYS  32           HG1      LYS  32   5.342   4.091   1.613
  204    HD2  LYS  32           HD2      LYS  32   5.056   3.621   4.016
  205    HD3  LYS  32           HD1      LYS  32   4.651   5.319   4.283
  206    HE2  LYS  32           HE2      LYS  32   2.784   5.041   2.640
  207    HE3  LYS  32           HE1      LYS  32   3.145   3.321   2.602
  208    HZ1  LYS  32           HZ1      LYS  32   2.660   3.234   5.015
  209    HZ2  LYS  32           HZ2      LYS  32   1.338   3.785   4.149
  210    HZ3  LYS  32           HZ3      LYS  32   2.285   4.866   4.990
  Start of MODEL   11
    1    H1   CYS   1           HT1      CYS   1  -6.134   5.448   7.718
    2    H2   CYS   1           HT2      CYS   1  -6.381   3.821   8.080
    3    H3   CYS   1           HT3      CYS   1  -7.419   4.589   7.019
    4    HA   CYS   1           HA       CYS   1  -5.646   4.853   5.439
    5    HB2  CYS   1           HB2      CYS   1  -3.527   3.629   5.872
    6    HB3  CYS   1           HB1      CYS   1  -3.773   4.962   6.993
    7    H    ALA   2           H        ALA   2  -5.380   3.176   3.873
    8    HA   ALA   2           HA       ALA   2  -7.195   0.980   4.274
    9    HB1  ALA   2           HB1      ALA   2  -6.797   0.549   1.902
   10    HB2  ALA   2           HB2      ALA   2  -5.517   1.759   1.894
   11    HB3  ALA   2           HB3      ALA   2  -7.187   2.246   2.176
   12    H    VAL   3           H        VAL   3  -6.634  -1.075   4.531
   13    HA   VAL   3           HA       VAL   3  -3.832  -1.636   5.105
   14    HB   VAL   3           HB       VAL   3  -4.614  -3.774   6.001
   15   HG11  VAL   3          HG11      VAL   3  -6.217  -1.428   6.979
   16   HG12  VAL   3          HG12      VAL   3  -4.595  -1.887   7.496
   17   HG13  VAL   3          3HG1      VAL   3  -5.969  -2.930   7.867
   18   HG21  VAL   3          HG21      VAL   3  -7.034  -4.298   6.114
   19   HG22  VAL   3          HG22      VAL   3  -6.440  -4.213   4.452
   20   HG23  VAL   3          HG23      VAL   3  -7.359  -2.874   5.115
   21    H    THR   4           H        THR   4  -3.420  -4.181   4.470
   22    HA   THR   4           HA       THR   4  -3.059  -4.144   1.692
   23    HB   THR   4           HB       THR   4  -3.005  -6.547   3.548
   24    HG1  THR   4           HG1      THR   4  -1.512  -5.099   4.294
   25   HG21  THR   4          HG21      THR   4  -1.747  -6.067   0.839
   26   HG22  THR   4          HG22      THR   4  -3.061  -7.188   1.195
   27   HG23  THR   4          HG23      THR   4  -1.450  -7.471   1.859
   28    H    HIS   5           H        HIS   5  -4.260  -4.876   0.098
   29    HA   HIS   5           HA       HIS   5  -5.776  -5.960  -1.120
   30    HB2  HIS   5           HB2      HIS   5  -6.939  -7.103   1.435
   31    HB3  HIS   5           HB1      HIS   5  -7.548  -7.468  -0.176
   32    HD1  HIS   5           HD1      HIS   5  -5.577  -9.065   2.246
   33    HD2  HIS   5           HD2      HIS   5  -5.059  -8.318  -1.808
   34    HE1  HIS   5           HE1      HIS   5  -3.865 -10.713   1.446
   35    H    GLU   6           H        GLU   6  -6.472  -3.619   1.134
   36    HA   GLU   6           HA       GLU   6  -9.052  -3.016  -0.004
   37    HB2  GLU   6           HB2      GLU   6  -7.224  -1.498   1.866
   38    HB3  GLU   6           HB1      GLU   6  -8.716  -0.788   1.240
   39    HG2  GLU   6           HG2      GLU   6  -9.870  -2.764   2.327
   40    HG3  GLU   6           HG1      GLU   6  -8.326  -3.103   3.110
   41    H    LYS   7           H        LYS   7  -9.426  -1.255  -1.421
   42    HA   LYS   7           HA       LYS   7  -7.408  -0.939  -3.392
   43    HB2  LYS   7           HB2      LYS   7  -8.945   0.649  -4.482
   44    HB3  LYS   7           HB1      LYS   7  -9.743  -0.853  -4.052
   45    HG2  LYS   7           HG2      LYS   7 -10.695   0.268  -2.062
   46    HG3  LYS   7           HG1      LYS   7  -9.957   1.774  -2.591
   47    HD2  LYS   7           HD2      LYS   7 -11.960   0.169  -4.181
   48    HD3  LYS   7           HD1      LYS   7 -12.340   1.582  -3.204
   49    HE2  LYS   7           HE2      LYS   7 -10.443   1.576  -5.552
   50    HE3  LYS   7           HE1      LYS   7 -12.135   2.047  -5.636
   51    HZ1  LYS   7           HZ1      LYS   7 -11.626   3.824  -4.016
   52    HZ2  LYS   7           HZ2      LYS   7 -10.759   3.976  -5.439
   53    HZ3  LYS   7           HZ3      LYS   7  -9.996   3.399  -4.078
   54    H    CYS   8           H        CYS   8  -6.324   1.056  -4.046
   55    HA   CYS   8           HA       CYS   8  -5.863   2.733  -1.681
   56    HB2  CYS   8           HB2      CYS   8  -3.542   2.974  -2.470
   57    HB3  CYS   8           HB1      CYS   8  -3.968   1.317  -2.060
   58    H    SER   9           H        SER   9  -5.719   4.880  -1.907
   59    HA   SER   9           HA       SER   9  -6.473   6.023  -4.463
   60    HB2  SER   9           HB2      SER   9  -5.845   7.451  -1.877
   61    HB3  SER   9           HB1      SER   9  -6.847   8.023  -3.218
   62    HG   SER   9           HG       SER   9  -7.352   5.993  -1.345
   63    H    ASP  10           H        ASP  10  -3.800   6.045  -2.133
   64    HA   ASP  10           HA       ASP  10  -1.831   6.545  -4.118
   65    HB2  ASP  10           HB2      ASP  10  -0.928   8.576  -3.116
   66    HB3  ASP  10           HB1      ASP  10  -2.602   8.881  -3.558
   67    H    ASP  11           H        ASP  11   0.343   6.838  -2.629
   68    HA   ASP  11           HA       ASP  11   0.461   4.323  -1.299
   69    HB2  ASP  11           HB2      ASP  11   2.542   6.514  -1.427
   70    HB3  ASP  11           HB1      ASP  11   2.814   4.941  -0.693
   71    H    TYR  12           H        TYR  12   0.096   7.601  -0.128
   72    HA   TYR  12           HA       TYR  12   0.746   6.818   2.569
   73    HB2  TYR  12           HB2      TYR  12  -0.273   9.433   1.449
   74    HB3  TYR  12           HB1      TYR  12   0.195   9.168   3.126
   75    HD1  TYR  12           HD1      TYR  12   1.377   9.746  -0.263
   76    HD2  TYR  12           HD2      TYR  12   2.561   8.754   3.699
   77    HE1  TYR  12           HE1      TYR  12   3.706  10.285  -0.828
   78    HE2  TYR  12           HE2      TYR  12   4.889   9.294   3.146
   79    HH   TYR  12           HH       TYR  12   6.307   9.443   1.211
   80    H    ASP  13           H        ASP  13  -1.841   6.594   0.587
   81    HA   ASP  13           HA       ASP  13  -3.933   6.896   2.526
   82    HB2  ASP  13           HB2      ASP  13  -4.353   7.262   0.134
   83    HB3  ASP  13           HB1      ASP  13  -3.877   5.612  -0.213
   84    H    CYS  14           H        CYS  14  -1.680   4.553   1.618
   85    HA   CYS  14           HA       CYS  14  -3.108   2.309   2.780
   86    HB2  CYS  14           HB2      CYS  14  -0.343   2.471   1.577
   87    HB3  CYS  14           HB1      CYS  14  -1.223   1.004   2.011
   88    H    CYS  15           H        CYS  15  -2.466   1.271   4.625
   89    HA   CYS  15           HA       CYS  15  -1.349   2.781   6.722
   90    HB2  CYS  15           HB2      CYS  15  -1.789  -0.195   6.546
   91    HB3  CYS  15           HB1      CYS  15  -1.482   0.712   8.019
   92    H    GLY  16           H        GLY  16   0.593   2.729   7.735
   93    HA2  GLY  16           HA2      GLY  16   2.800   2.417   8.139
   94    HA3  GLY  16           HA1      GLY  16   2.508   0.742   7.717
   95    H    SER  17           H        SER  17   4.036   0.099   6.368
   96    HA   SER  17           HA       SER  17   5.178   2.007   4.528
   97    HB2  SER  17           HB2      SER  17   6.863   0.087   4.255
   98    HB3  SER  17           HB1      SER  17   6.837   0.960   5.786
   99    HG   SER  17           HG       SER  17   6.850  -1.064   6.344
  100    H    LEU  18           H        LEU  18   2.553   0.295   4.274
  101    HA   LEU  18           HA       LEU  18   2.959  -1.339   1.966
  102    HB2  LEU  18           HB2      LEU  18   0.421  -0.026   2.934
  103    HB3  LEU  18           HB1      LEU  18   0.520  -1.332   1.773
  104    HG   LEU  18           HG       LEU  18   1.216  -1.498   4.703
  105   HD11  LEU  18          HD11      LEU  18  -1.157  -1.278   4.316
  106   HD12  LEU  18          HD12      LEU  18  -0.769  -2.920   4.834
  107   HD13  LEU  18          HD13      LEU  18  -1.103  -2.584   3.133
  108   HD21  LEU  18          HD21      LEU  18   2.601  -3.013   3.381
  109   HD22  LEU  18          HD22      LEU  18   1.163  -3.647   2.581
  110   HD23  LEU  18          HD23      LEU  18   1.402  -3.912   4.309
  111    H    CYS  19           H        CYS  19   2.246  -0.845  -0.184
  112    HA   CYS  19           HA       CYS  19   2.313   2.023  -0.760
  113    HB2  CYS  19           HB2      CYS  19   3.644  -0.203  -2.325
  114    HB3  CYS  19           HB1      CYS  19   3.648   1.504  -2.755
  115    H    CYS  20           H        CYS  20   1.469   2.429  -3.012
  116    HA   CYS  20           HA       CYS  20  -1.080   0.990  -3.233
  117    HB2  CYS  20           HB2      CYS  20  -1.189   3.403  -2.974
  118    HB3  CYS  20           HB1      CYS  20  -0.134   3.625  -4.358
  119    H    VAL  21           H        VAL  21  -1.185  -0.577  -4.589
  120    HA   VAL  21           HA       VAL  21  -0.369  -0.099  -7.290
  121    HB   VAL  21           HB       VAL  21   1.548  -1.344  -6.451
  122   HG11  VAL  21          HG11      VAL  21   0.621  -2.391  -4.501
  123   HG12  VAL  21          HG12      VAL  21   1.407  -3.601  -5.514
  124   HG13  VAL  21          3HG1      VAL  21  -0.353  -3.470  -5.501
  125   HG21  VAL  21          HG21      VAL  21   0.913  -1.875  -8.722
  126   HG22  VAL  21          HG22      VAL  21  -0.218  -3.100  -8.157
  127   HG23  VAL  21          HG23      VAL  21   1.516  -3.338  -7.938
  128    H    GLY  22           H        GLY  22  -2.633   0.363  -7.093
  129    HA2  GLY  22           HA2      GLY  22  -4.745  -0.237  -7.947
  130    HA3  GLY  22           HA1      GLY  22  -4.271  -1.936  -7.850
  131    H    ILE  23           H        ILE  23  -3.543  -2.360  -5.505
  132    HA   ILE  23           HA       ILE  23  -5.527  -1.428  -3.579
  133    HB   ILE  23           HB       ILE  23  -5.373  -3.697  -2.531
  134   HG12  ILE  23          HG12      ILE  23  -3.948  -4.485  -5.095
  135   HG13  ILE  23          HG11      ILE  23  -3.186  -4.341  -3.518
  136   HG21  ILE  23          HG21      ILE  23  -6.819  -4.880  -4.132
  137   HG22  ILE  23          HG22      ILE  23  -6.402  -3.692  -5.367
  138   HG23  ILE  23          HG23      ILE  23  -7.287  -3.193  -3.925
  139   HD11  ILE  23          HD11      ILE  23  -4.528  -6.190  -2.690
  140   HD12  ILE  23          HD12      ILE  23  -3.632  -6.663  -4.132
  141   HD13  ILE  23          HD13      ILE  23  -5.356  -6.300  -4.242
  142    H    CYS  24           H        CYS  24  -4.630  -1.632  -1.375
  143    HA   CYS  24           HA       CYS  24  -1.884  -0.840  -1.311
  144    HB2  CYS  24           HB2      CYS  24  -3.838  -1.448   0.913
  145    HB3  CYS  24           HB1      CYS  24  -2.225  -0.786   1.152
  146    H    ALA  25           H        ALA  25  -0.196  -2.107  -1.052
  147    HA   ALA  25           HA       ALA  25  -0.407  -4.667   0.238
  148    HB1  ALA  25           HB1      ALA  25   0.382  -4.459  -2.677
  149    HB2  ALA  25           HB2      ALA  25  -1.089  -5.212  -2.062
  150    HB3  ALA  25           HB3      ALA  25   0.485  -5.912  -1.683
  151    H    LYS  26           H        LYS  26   1.790  -5.654   0.325
  152    HA   LYS  26           HA       LYS  26   3.708  -3.540   0.778
  153    HB2  LYS  26           HB2      LYS  26   3.342  -5.362   2.462
  154    HB3  LYS  26           HB1      LYS  26   3.971  -6.513   1.291
  155    HG2  LYS  26           HG2      LYS  26   5.702  -5.956   2.862
  156    HG3  LYS  26           HG1      LYS  26   6.112  -5.273   1.288
  157    HD2  LYS  26           HD2      LYS  26   5.222  -3.090   2.022
  158    HD3  LYS  26           HD1      LYS  26   4.867  -3.786   3.598
  159    HE2  LYS  26           HE2      LYS  26   6.934  -2.529   3.672
  160    HE3  LYS  26           HE1      LYS  26   7.246  -4.245   3.920
  161    HZ1  LYS  26           HZ1      LYS  26   8.017  -4.412   1.632
  162    HZ2  LYS  26           HZ2      LYS  26   8.842  -3.186   2.418
  163    HZ3  LYS  26           HZ3      LYS  26   7.622  -2.801   1.347
  164    H    THR  27           H        THR  27   5.275  -3.089  -0.653
  165    HA   THR  27           HA       THR  27   5.596  -4.860  -2.923
  166    HB   THR  27           HB       THR  27   6.811  -2.837  -3.869
  167    HG1  THR  27           HG1      THR  27   7.181  -1.248  -2.572
  168   HG21  THR  27          HG21      THR  27   4.472  -3.309  -4.445
  169   HG22  THR  27          HG22      THR  27   4.745  -1.571  -4.311
  170   HG23  THR  27          HG23      THR  27   3.939  -2.442  -3.005
  171    H    ILE  28           H        ILE  28   7.802  -5.250  -3.680
  172    HA   ILE  28           HA       ILE  28   9.558  -6.016  -1.568
  173    HB   ILE  28           HB       ILE  28  10.085  -5.887  -4.566
  174   HG12  ILE  28          HG12      ILE  28   9.151  -8.227  -2.876
  175   HG13  ILE  28          HG11      ILE  28   8.137  -7.307  -3.978
  176   HG21  ILE  28          HG21      ILE  28  11.856  -7.538  -4.116
  177   HG22  ILE  28          HG22      ILE  28  11.514  -7.430  -2.389
  178   HG23  ILE  28          HG23      ILE  28  12.146  -6.027  -3.252
  179   HD11  ILE  28          HD11      ILE  28   9.501  -8.066  -5.859
  180   HD12  ILE  28          HD12      ILE  28   8.826  -9.421  -4.956
  181   HD13  ILE  28          HD13      ILE  28  10.521  -8.980  -4.746
  182    H    ALA  29           H        ALA  29   9.502  -3.546  -4.048
  183    HA   ALA  29           HA       ALA  29  11.788  -2.176  -2.891
  184    HB1  ALA  29           HB1      ALA  29  11.525  -0.637  -4.811
  185    HB2  ALA  29           HB2      ALA  29  10.084  -1.525  -5.306
  186    HB3  ALA  29           HB3      ALA  29  11.658  -2.317  -5.330
  187    HA   PRO  30           HA       PRO  30   8.760  -0.020  -0.329
  188    HB2  PRO  30           HB2      PRO  30  11.023   1.642   0.521
  189    HB3  PRO  30           HB1      PRO  30  10.009   0.563   1.472
  190    HG2  PRO  30           HG2      PRO  30  12.578  -0.014   0.893
  191    HG3  PRO  30           HG1      PRO  30  11.337  -1.259   1.086
  192    HD2  PRO  30           HD2      PRO  30  12.542  -0.148  -1.409
  193    HD3  PRO  30           HD1      PRO  30  12.063  -1.813  -1.005
  194    H    CYS  31           H        CYS  31   7.695   1.913  -0.387
  195    HA   CYS  31           HA       CYS  31   8.555   3.870  -2.405
  196    HB2  CYS  31           HB2      CYS  31   6.156   4.530  -2.408
  197    HB3  CYS  31           HB1      CYS  31   6.391   2.839  -2.845
  198    H    LYS  32           H        LYS  32   8.259   3.296   0.884
  199    HA   LYS  32           HA       LYS  32   8.187   6.151   1.520
  200    HB2  LYS  32           HB2      LYS  32   7.226   3.762   3.104
  201    HB3  LYS  32           HB1      LYS  32   7.312   5.401   3.736
  202    HG2  LYS  32           HG2      LYS  32   5.653   6.172   2.279
  203    HG3  LYS  32           HG1      LYS  32   5.765   4.734   1.266
  204    HD2  LYS  32           HD2      LYS  32   4.829   3.394   3.039
  205    HD3  LYS  32           HD1      LYS  32   4.770   4.802   4.108
  206    HE2  LYS  32           HE2      LYS  32   3.189   5.883   2.676
  207    HE3  LYS  32           HE1      LYS  32   3.372   4.629   1.453
  208    HZ1  LYS  32           HZ1      LYS  32   2.311   4.143   4.177
  209    HZ2  LYS  32           HZ2      LYS  32   2.324   3.069   2.847
  210    HZ3  LYS  32           HZ3      LYS  32   1.357   4.442   2.817
  Start of MODEL   12
    1    H1   CYS   1           HT1      CYS   1  -6.340   4.770   7.616
    2    H2   CYS   1           HT2      CYS   1  -7.211   5.579   6.429
    3    H3   CYS   1           HT3      CYS   1  -5.799   6.276   7.074
    4    HA   CYS   1           HA       CYS   1  -5.409   5.345   4.902
    5    HB2  CYS   1           HB2      CYS   1  -3.495   3.904   5.532
    6    HB3  CYS   1           HB1      CYS   1  -3.549   5.385   6.472
    7    H    ALA   2           H        ALA   2  -5.375   3.535   3.542
    8    HA   ALA   2           HA       ALA   2  -7.396   1.554   4.116
    9    HB1  ALA   2           HB1      ALA   2  -7.269   2.576   1.886
   10    HB2  ALA   2           HB2      ALA   2  -6.988   0.839   1.799
   11    HB3  ALA   2           HB3      ALA   2  -5.629   1.957   1.694
   12    H    VAL   3           H        VAL   3  -6.978  -0.618   4.439
   13    HA   VAL   3           HA       VAL   3  -4.263  -1.125   5.365
   14    HB   VAL   3           HB       VAL   3  -5.126  -3.047   6.532
   15   HG11  VAL   3          HG11      VAL   3  -6.992  -0.714   6.846
   16   HG12  VAL   3          HG12      VAL   3  -5.437  -0.930   7.643
   17   HG13  VAL   3          3HG1      VAL   3  -6.780  -2.013   8.017
   18   HG21  VAL   3          HG21      VAL   3  -7.738  -2.523   5.122
   19   HG22  VAL   3          HG22      VAL   3  -7.520  -3.698   6.425
   20   HG23  VAL   3          HG23      VAL   3  -6.683  -3.911   4.883
   21    H    THR   4           H        THR   4  -3.772  -3.654   5.094
   22    HA   THR   4           HA       THR   4  -2.969  -4.068   2.499
   23    HB   THR   4           HB       THR   4  -3.600  -6.235   4.522
   24    HG1  THR   4           HG1      THR   4  -2.237  -5.014   5.633
   25   HG21  THR   4          HG21      THR   4  -3.017  -7.039   2.261
   26   HG22  THR   4          HG22      THR   4  -1.758  -7.431   3.429
   27   HG23  THR   4          HG23      THR   4  -1.534  -6.085   2.310
   28    H    HIS   5           H        HIS   5  -3.888  -4.801   0.732
   29    HA   HIS   5           HA       HIS   5  -5.215  -5.777  -0.762
   30    HB2  HIS   5           HB2      HIS   5  -6.658  -7.097   1.550
   31    HB3  HIS   5           HB1      HIS   5  -6.951  -7.458  -0.146
   32    HD1  HIS   5           HD1      HIS   5  -5.313  -8.902   2.578
   33    HD2  HIS   5           HD2      HIS   5  -4.174  -8.153  -1.347
   34    HE1  HIS   5           HE1      HIS   5  -3.392 -10.476   2.085
   35    H    GLU   6           H        GLU   6  -6.245  -3.407   1.253
   36    HA   GLU   6           HA       GLU   6  -8.829  -3.135  -0.043
   37    HB2  GLU   6           HB2      GLU   6  -7.341  -1.345   1.889
   38    HB3  GLU   6           HB1      GLU   6  -8.887  -0.898   1.160
   39    HG2  GLU   6           HG2      GLU   6  -9.764  -3.014   2.222
   40    HG3  GLU   6           HG1      GLU   6  -8.244  -3.065   3.116
   41    H    LYS   7           H        LYS   7  -9.294  -1.191  -1.313
   42    HA   LYS   7           HA       LYS   7  -7.311  -0.866  -3.321
   43    HB2  LYS   7           HB2      LYS   7  -9.874   0.665  -2.877
   44    HB3  LYS   7           HB1      LYS   7  -8.889   0.732  -4.332
   45    HG2  LYS   7           HG2      LYS   7  -9.287  -1.663  -4.691
   46    HG3  LYS   7           HG1      LYS   7 -10.326  -1.686  -3.264
   47    HD2  LYS   7           HD2      LYS   7 -11.786  -0.018  -4.325
   48    HD3  LYS   7           HD1      LYS   7 -10.749  -0.044  -5.753
   49    HE2  LYS   7           HE2      LYS   7 -11.230  -2.459  -5.997
   50    HE3  LYS   7           HE1      LYS   7 -12.357  -2.337  -4.647
   51    HZ1  LYS   7           HZ1      LYS   7 -13.493  -2.188  -6.756
   52    HZ2  LYS   7           HZ2      LYS   7 -12.561  -0.851  -7.204
   53    HZ3  LYS   7           HZ3      LYS   7 -13.642  -0.732  -5.920
   54    H    CYS   8           H        CYS   8  -6.196   1.012  -3.895
   55    HA   CYS   8           HA       CYS   8  -5.692   2.770  -1.587
   56    HB2  CYS   8           HB2      CYS   8  -3.390   2.921  -2.480
   57    HB3  CYS   8           HB1      CYS   8  -3.846   1.295  -1.981
   58    H    SER   9           H        SER   9  -5.724   4.922  -1.921
   59    HA   SER   9           HA       SER   9  -6.253   5.872  -4.619
   60    HB2  SER   9           HB2      SER   9  -6.164   7.360  -1.981
   61    HB3  SER   9           HB1      SER   9  -6.750   8.010  -3.514
   62    HG   SER   9           HG       SER   9  -7.827   5.863  -2.017
   63    H    ASP  10           H        ASP  10  -3.744   5.589  -2.295
   64    HA   ASP  10           HA       ASP  10  -1.728   6.518  -4.060
   65    HB2  ASP  10           HB2      ASP  10  -2.438   8.716  -3.197
   66    HB3  ASP  10           HB1      ASP  10  -2.326   8.110  -1.545
   67    H    ASP  11           H        ASP  11   0.406   6.288  -2.889
   68    HA   ASP  11           HA       ASP  11   0.529   3.727  -1.622
   69    HB2  ASP  11           HB2      ASP  11   2.682   5.845  -1.813
   70    HB3  ASP  11           HB1      ASP  11   2.939   4.177  -1.337
   71    H    TYR  12           H        TYR  12   0.696   7.060  -0.483
   72    HA   TYR  12           HA       TYR  12   1.304   6.184   2.185
   73    HB2  TYR  12           HB2      TYR  12   0.785   8.948   1.081
   74    HB3  TYR  12           HB1      TYR  12   1.262   8.603   2.743
   75    HD1  TYR  12           HD1      TYR  12   2.377   8.896  -0.712
   76    HD2  TYR  12           HD2      TYR  12   3.538   7.778   3.221
   77    HE1  TYR  12           HE1      TYR  12   4.741   8.986  -1.386
   78    HE2  TYR  12           HE2      TYR  12   5.902   7.866   2.551
   79    HH   TYR  12           HH       TYR  12   7.181   7.615   0.350
   80    H    ASP  13           H        ASP  13  -1.375   6.365   0.336
   81    HA   ASP  13           HA       ASP  13  -3.311   7.053   2.360
   82    HB2  ASP  13           HB2      ASP  13  -3.909   7.482   0.066
   83    HB3  ASP  13           HB1      ASP  13  -3.468   5.860  -0.418
   84    H    CYS  14           H        CYS  14  -1.424   4.409   1.518
   85    HA   CYS  14           HA       CYS  14  -3.127   2.412   2.760
   86    HB2  CYS  14           HB2      CYS  14  -0.394   2.212   1.506
   87    HB3  CYS  14           HB1      CYS  14  -1.381   0.859   2.053
   88    H    CYS  15           H        CYS  15  -2.669   1.448   4.676
   89    HA   CYS  15           HA       CYS  15  -1.249   2.876   6.660
   90    HB2  CYS  15           HB2      CYS  15  -2.194   0.007   6.748
   91    HB3  CYS  15           HB1      CYS  15  -1.833   1.035   8.126
   92    H    GLY  16           H        GLY  16   0.555   2.112   7.925
   93    HA2  GLY  16           HA2      GLY  16   2.601   1.181   8.311
   94    HA3  GLY  16           HA1      GLY  16   2.001  -0.225   7.454
   95    H    SER  17           H        SER  17   3.810  -0.708   6.326
   96    HA   SER  17           HA       SER  17   5.112   1.356   4.760
   97    HB2  SER  17           HB2      SER  17   6.739  -0.589   4.334
   98    HB3  SER  17           HB1      SER  17   6.651   0.053   5.976
   99    HG   SER  17           HG       SER  17   5.632  -1.676   6.644
  100    H    LEU  18           H        LEU  18   2.422  -0.047   4.205
  101    HA   LEU  18           HA       LEU  18   2.753  -1.568   1.831
  102    HB2  LEU  18           HB2      LEU  18   0.355  -0.078   2.844
  103    HB3  LEU  18           HB1      LEU  18   0.344  -1.263   1.557
  104    HG   LEU  18           HG       LEU  18   0.988  -1.812   4.450
  105   HD11  LEU  18          HD11      LEU  18  -1.166  -2.963   4.441
  106   HD12  LEU  18          HD12      LEU  18  -1.437  -2.413   2.786
  107   HD13  LEU  18          HD13      LEU  18  -1.335  -1.240   4.099
  108   HD21  LEU  18          HD21      LEU  18   0.678  -3.659   2.086
  109   HD22  LEU  18          HD22      LEU  18   0.817  -4.178   3.759
  110   HD23  LEU  18          HD23      LEU  18   2.165  -3.351   2.981
  111    H    CYS  19           H        CYS  19   2.000  -0.965  -0.261
  112    HA   CYS  19           HA       CYS  19   2.249   1.865  -0.879
  113    HB2  CYS  19           HB2      CYS  19   3.454  -0.511  -2.281
  114    HB3  CYS  19           HB1      CYS  19   3.439   1.115  -2.948
  115    H    CYS  20           H        CYS  20   1.486   2.096  -3.286
  116    HA   CYS  20           HA       CYS  20  -1.148   0.859  -3.350
  117    HB2  CYS  20           HB2      CYS  20  -1.015   3.317  -3.265
  118    HB3  CYS  20           HB1      CYS  20  -0.080   3.310  -4.750
  119    H    VAL  21           H        VAL  21  -1.451  -0.706  -4.713
  120    HA   VAL  21           HA       VAL  21  -0.267  -0.617  -7.369
  121    HB   VAL  21           HB       VAL  21   1.191  -2.058  -5.960
  122   HG11  VAL  21          HG11      VAL  21   0.423  -4.190  -5.044
  123   HG12  VAL  21          HG12      VAL  21  -1.241  -3.717  -5.410
  124   HG13  VAL  21          3HG1      VAL  21  -0.280  -2.774  -4.267
  125   HG21  VAL  21          HG21      VAL  21   1.049  -2.656  -8.279
  126   HG22  VAL  21          HG22      VAL  21  -0.393  -3.628  -7.985
  127   HG23  VAL  21          HG23      VAL  21   1.161  -4.130  -7.314
  128    H    GLY  22           H        GLY  22  -2.717   0.201  -6.565
  129    HA2  GLY  22           HA2      GLY  22  -4.904  -0.080  -7.487
  130    HA3  GLY  22           HA1      GLY  22  -4.564  -1.812  -7.655
  131    H    ILE  23           H        ILE  23  -3.660  -2.571  -5.456
  132    HA   ILE  23           HA       ILE  23  -5.518  -1.796  -3.337
  133    HB   ILE  23           HB       ILE  23  -5.139  -4.059  -2.378
  134   HG12  ILE  23          HG12      ILE  23  -3.768  -4.672  -5.016
  135   HG13  ILE  23          HG11      ILE  23  -2.948  -4.496  -3.471
  136   HG21  ILE  23          HG21      ILE  23  -7.133  -3.658  -3.689
  137   HG22  ILE  23          HG22      ILE  23  -6.553  -5.303  -3.949
  138   HG23  ILE  23          HG23      ILE  23  -6.266  -4.065  -5.171
  139   HD11  ILE  23          HD11      ILE  23  -4.975  -6.610  -4.166
  140   HD12  ILE  23          HD12      ILE  23  -4.142  -6.443  -2.620
  141   HD13  ILE  23          HD13      ILE  23  -3.227  -6.831  -4.077
  142    H    CYS  24           H        CYS  24  -4.541  -2.022  -1.201
  143    HA   CYS  24           HA       CYS  24  -1.884  -0.971  -1.168
  144    HB2  CYS  24           HB2      CYS  24  -3.794  -1.679   1.050
  145    HB3  CYS  24           HB1      CYS  24  -2.225  -0.915   1.295
  146    H    ALA  25           H        ALA  25  -0.197  -2.156  -1.316
  147    HA   ALA  25           HA       ALA  25   0.158  -4.527   0.292
  148    HB1  ALA  25           HB1      ALA  25  -0.792  -5.459  -1.773
  149    HB2  ALA  25           HB2      ALA  25   0.918  -5.876  -1.652
  150    HB3  ALA  25           HB3      ALA  25   0.401  -4.581  -2.730
  151    H    LYS  26           H        LYS  26   2.442  -4.917   0.580
  152    HA   LYS  26           HA       LYS  26   4.003  -2.529   0.053
  153    HB2  LYS  26           HB2      LYS  26   4.200  -3.634   2.275
  154    HB3  LYS  26           HB1      LYS  26   4.824  -5.072   1.473
  155    HG2  LYS  26           HG2      LYS  26   6.759  -3.798   0.680
  156    HG3  LYS  26           HG1      LYS  26   6.142  -2.363   1.489
  157    HD2  LYS  26           HD2      LYS  26   7.897  -3.422   2.814
  158    HD3  LYS  26           HD1      LYS  26   6.350  -3.497   3.654
  159    HE2  LYS  26           HE2      LYS  26   6.070  -5.805   3.065
  160    HE3  LYS  26           HE1      LYS  26   7.470  -5.764   2.002
  161    HZ1  LYS  26           HZ1      LYS  26   8.876  -5.423   3.925
  162    HZ2  LYS  26           HZ2      LYS  26   7.957  -6.817   4.102
  163    HZ3  LYS  26           HZ3      LYS  26   7.542  -5.438   4.963
  164    H    THR  27           H        THR  27   5.241  -2.294  -1.664
  165    HA   THR  27           HA       THR  27   5.504  -4.394  -3.530
  166    HB   THR  27           HB       THR  27   6.848  -2.524  -4.707
  167    HG1  THR  27           HG1      THR  27   7.319  -1.067  -3.121
  168   HG21  THR  27          HG21      THR  27   4.777  -1.338  -5.302
  169   HG22  THR  27          HG22      THR  27   3.960  -2.069  -3.920
  170   HG23  THR  27          HG23      THR  27   4.510  -3.080  -5.256
  171    H    ILE  28           H        ILE  28   7.850  -4.497  -4.629
  172    HA   ILE  28           HA       ILE  28   9.586  -5.824  -2.853
  173    HB   ILE  28           HB       ILE  28  10.260  -4.569  -5.541
  174   HG12  ILE  28          HG12      ILE  28   8.428  -6.177  -5.777
  175   HG13  ILE  28          HG11      ILE  28   9.895  -6.809  -6.509
  176   HG21  ILE  28          HG21      ILE  28  12.112  -6.181  -5.656
  177   HG22  ILE  28          HG22      ILE  28  11.730  -6.719  -4.021
  178   HG23  ILE  28          HG23      ILE  28  12.279  -5.066  -4.297
  179   HD11  ILE  28          HD11      ILE  28   8.750  -7.594  -3.836
  180   HD12  ILE  28          HD12      ILE  28  10.250  -8.211  -4.523
  181   HD13  ILE  28          HD13      ILE  28   8.713  -8.548  -5.319
  182    H    ALA  29           H        ALA  29   9.658  -2.611  -4.248
  183    HA   ALA  29           HA       ALA  29  11.651  -1.812  -2.272
  184    HB1  ALA  29           HB1      ALA  29  11.962   0.156  -3.690
  185    HB2  ALA  29           HB2      ALA  29  10.723  -0.439  -4.797
  186    HB3  ALA  29           HB3      ALA  29  12.233  -1.333  -4.595
  187    HA   PRO  30           HA       PRO  30   8.018  -0.126  -0.169
  188    HB2  PRO  30           HB2      PRO  30  10.143   1.097   1.492
  189    HB3  PRO  30           HB1      PRO  30   8.749   0.134   1.998
  190    HG2  PRO  30           HG2      PRO  30  11.195  -0.912   2.038
  191    HG3  PRO  30           HG1      PRO  30   9.805  -1.880   1.515
  192    HD2  PRO  30           HD2      PRO  30  11.920  -0.562  -0.145
  193    HD3  PRO  30           HD1      PRO  30  11.148  -2.150  -0.335
  194    H    CYS  31           H        CYS  31   6.982   1.718  -0.479
  195    HA   CYS  31           HA       CYS  31   8.246   3.890  -1.884
  196    HB2  CYS  31           HB2      CYS  31   5.853   4.670  -1.994
  197    HB3  CYS  31           HB1      CYS  31   6.173   3.096  -2.730
  198    H    LYS  32           H        LYS  32   7.717   3.141   1.332
  199    HA   LYS  32           HA       LYS  32   7.598   5.967   2.040
  200    HB2  LYS  32           HB2      LYS  32   6.828   3.578   3.769
  201    HB3  LYS  32           HB1      LYS  32   6.858   5.252   4.294
  202    HG2  LYS  32           HG2      LYS  32   5.129   5.643   2.486
  203    HG3  LYS  32           HG1      LYS  32   5.007   3.881   2.393
  204    HD2  LYS  32           HD2      LYS  32   4.544   3.789   4.794
  205    HD3  LYS  32           HD1      LYS  32   4.660   5.546   4.871
  206    HE2  LYS  32           HE2      LYS  32   2.382   5.130   4.779
  207    HE3  LYS  32           HE1      LYS  32   2.877   5.572   3.135
  208    HZ1  LYS  32           HZ1      LYS  32   2.768   3.209   2.490
  209    HZ2  LYS  32           HZ2      LYS  32   1.326   3.640   3.265
  210    HZ3  LYS  32           HZ3      LYS  32   2.509   2.825   4.116
  Start of MODEL   13
    1    H1   CYS   1           HT1      CYS   1  -6.148   6.012   7.275
    2    H2   CYS   1           HT2      CYS   1  -6.430   4.369   7.644
    3    H3   CYS   1           HT3      CYS   1  -7.484   5.192   6.631
    4    HA   CYS   1           HA       CYS   1  -5.898   5.365   4.960
    5    HB2  CYS   1           HB2      CYS   1  -3.694   4.147   5.268
    6    HB3  CYS   1           HB1      CYS   1  -3.860   5.623   6.207
    7    H    ALA   2           H        ALA   2  -5.216   3.414   3.593
    8    HA   ALA   2           HA       ALA   2  -7.258   1.396   4.028
    9    HB1  ALA   2           HB1      ALA   2  -7.076   2.450   1.824
   10    HB2  ALA   2           HB2      ALA   2  -6.755   0.721   1.730
   11    HB3  ALA   2           HB3      ALA   2  -5.419   1.870   1.682
   12    H    VAL   3           H        VAL   3  -6.830  -0.681   4.558
   13    HA   VAL   3           HA       VAL   3  -4.097  -1.240   5.365
   14    HB   VAL   3           HB       VAL   3  -4.948  -3.189   6.516
   15   HG11  VAL   3          HG11      VAL   3  -6.508  -2.167   8.100
   16   HG12  VAL   3          HG12      VAL   3  -6.737  -0.822   6.983
   17   HG13  VAL   3          3HG1      VAL   3  -5.154  -1.109   7.704
   18   HG21  VAL   3          HG21      VAL   3  -7.606  -2.570   5.242
   19   HG22  VAL   3          HG22      VAL   3  -7.342  -3.796   6.486
   20   HG23  VAL   3          HG23      VAL   3  -6.584  -3.963   4.900
   21    H    THR   4           H        THR   4  -3.749  -3.818   5.105
   22    HA   THR   4           HA       THR   4  -2.918  -4.227   2.513
   23    HB   THR   4           HB       THR   4  -3.618  -6.445   4.457
   24    HG1  THR   4           HG1      THR   4  -2.355  -5.028   5.625
   25   HG21  THR   4          HG21      THR   4  -2.912  -7.144   2.203
   26   HG22  THR   4          HG22      THR   4  -1.687  -7.554   3.406
   27   HG23  THR   4          HG23      THR   4  -1.463  -6.153   2.355
   28    H    HIS   5           H        HIS   5  -3.868  -4.796   0.726
   29    HA   HIS   5           HA       HIS   5  -5.190  -5.639  -0.808
   30    HB2  HIS   5           HB2      HIS   5  -6.503  -7.181   1.424
   31    HB3  HIS   5           HB1      HIS   5  -7.005  -7.323  -0.257
   32    HD1  HIS   5           HD1      HIS   5  -4.586  -8.651   2.149
   33    HD2  HIS   5           HD2      HIS   5  -4.914  -8.341  -1.979
   34    HE1  HIS   5           HE1      HIS   5  -2.882 -10.240   1.188
   35    H    GLU   6           H        GLU   6  -6.205  -3.413   1.326
   36    HA   GLU   6           HA       GLU   6  -8.810  -3.060   0.126
   37    HB2  GLU   6           HB2      GLU   6  -7.209  -1.361   2.027
   38    HB3  GLU   6           HB1      GLU   6  -8.718  -0.798   1.315
   39    HG2  GLU   6           HG2      GLU   6  -9.738  -2.875   2.345
   40    HG3  GLU   6           HG1      GLU   6  -8.230  -3.014   3.255
   41    H    LYS   7           H        LYS   7  -9.352  -1.080  -1.081
   42    HA   LYS   7           HA       LYS   7  -7.582  -0.719  -3.232
   43    HB2  LYS   7           HB2      LYS   7 -10.052  -0.629  -3.353
   44    HB3  LYS   7           HB1      LYS   7 -10.016   0.848  -2.398
   45    HG2  LYS   7           HG2      LYS   7  -8.739   1.931  -4.141
   46    HG3  LYS   7           HG1      LYS   7  -8.822   0.450  -5.107
   47    HD2  LYS   7           HD2      LYS   7 -11.294   0.608  -5.052
   48    HD3  LYS   7           HD1      LYS   7 -11.152   2.149  -4.202
   49    HE2  LYS   7           HE2      LYS   7 -11.523   2.561  -6.548
   50    HE3  LYS   7           HE1      LYS   7  -9.881   3.034  -6.115
   51    HZ1  LYS   7           HZ1      LYS   7  -9.056   0.988  -7.080
   52    HZ2  LYS   7           HZ2      LYS   7  -9.994   1.797  -8.217
   53    HZ3  LYS   7           HZ3      LYS   7 -10.624   0.475  -7.413
   54    H    CYS   8           H        CYS   8  -6.299   1.058  -3.707
   55    HA   CYS   8           HA       CYS   8  -5.847   2.913  -1.477
   56    HB2  CYS   8           HB2      CYS   8  -3.517   3.039  -2.370
   57    HB3  CYS   8           HB1      CYS   8  -3.965   1.470  -1.710
   58    H    SER   9           H        SER   9  -5.685   5.045  -1.928
   59    HA   SER   9           HA       SER   9  -6.311   5.862  -4.655
   60    HB2  SER   9           HB2      SER   9  -6.156   7.497  -2.114
   61    HB3  SER   9           HB1      SER   9  -6.863   7.985  -3.660
   62    HG   SER   9           HG       SER   9  -7.772   6.076  -1.809
   63    H    ASP  10           H        ASP  10  -3.728   5.621  -2.429
   64    HA   ASP  10           HA       ASP  10  -1.767   6.594  -4.231
   65    HB2  ASP  10           HB2      ASP  10  -2.549   8.771  -3.304
   66    HB3  ASP  10           HB1      ASP  10  -2.280   8.152  -1.675
   67    H    ASP  11           H        ASP  11   0.407   6.400  -3.072
   68    HA   ASP  11           HA       ASP  11   0.511   3.851  -1.777
   69    HB2  ASP  11           HB2      ASP  11   2.714   5.904  -2.095
   70    HB3  ASP  11           HB1      ASP  11   2.935   4.240  -1.584
   71    H    TYR  12           H        TYR  12   0.704   7.192  -0.691
   72    HA   TYR  12           HA       TYR  12   1.399   6.350   1.984
   73    HB2  TYR  12           HB2      TYR  12   0.772   9.106   0.897
   74    HB3  TYR  12           HB1      TYR  12   1.397   8.764   2.507
   75    HD1  TYR  12           HD1      TYR  12   2.207   9.100  -1.011
   76    HD2  TYR  12           HD2      TYR  12   3.722   7.923   2.775
   77    HE1  TYR  12           HE1      TYR  12   4.491   9.201  -1.909
   78    HE2  TYR  12           HE2      TYR  12   6.019   8.022   1.886
   79    HH   TYR  12           HH       TYR  12   7.098   7.826  -0.325
   80    H    ASP  13           H        ASP  13  -1.273   6.227   0.273
   81    HA   ASP  13           HA       ASP  13  -3.192   7.055   2.288
   82    HB2  ASP  13           HB2      ASP  13  -3.741   7.421  -0.068
   83    HB3  ASP  13           HB1      ASP  13  -3.466   5.729  -0.425
   84    H    CYS  14           H        CYS  14  -1.262   4.438   1.525
   85    HA   CYS  14           HA       CYS  14  -2.982   2.431   2.705
   86    HB2  CYS  14           HB2      CYS  14  -0.213   2.245   1.513
   87    HB3  CYS  14           HB1      CYS  14  -1.195   0.891   2.073
   88    H    CYS  15           H        CYS  15  -2.475   1.348   4.573
   89    HA   CYS  15           HA       CYS  15  -1.131   2.863   6.587
   90    HB2  CYS  15           HB2      CYS  15  -2.251   0.066   6.726
   91    HB3  CYS  15           HB1      CYS  15  -1.849   1.100   8.088
   92    H    GLY  16           H        GLY  16   0.732   2.274   7.739
   93    HA2  GLY  16           HA2      GLY  16   2.657   1.136   8.306
   94    HA3  GLY  16           HA1      GLY  16   2.038  -0.252   7.420
   95    H    SER  17           H        SER  17   3.718  -0.817   6.154
   96    HA   SER  17           HA       SER  17   5.075   1.270   4.642
   97    HB2  SER  17           HB2      SER  17   6.631  -0.688   4.113
   98    HB3  SER  17           HB1      SER  17   6.608  -0.115   5.781
   99    HG   SER  17           HG       SER  17   6.085  -2.012   6.311
  100    H    LEU  18           H        LEU  18   2.345  -0.170   4.164
  101    HA   LEU  18           HA       LEU  18   2.670  -1.625   1.741
  102    HB2  LEU  18           HB2      LEU  18   0.260  -0.233   2.843
  103    HB3  LEU  18           HB1      LEU  18   0.248  -1.378   1.515
  104    HG   LEU  18           HG       LEU  18   0.945  -1.971   4.381
  105   HD11  LEU  18          HD11      LEU  18  -1.167  -3.208   4.333
  106   HD12  LEU  18          HD12      LEU  18  -1.469  -2.579   2.711
  107   HD13  LEU  18          HD13      LEU  18  -1.381  -1.476   4.085
  108   HD21  LEU  18          HD21      LEU  18   0.874  -4.323   3.682
  109   HD22  LEU  18          HD22      LEU  18   2.154  -3.441   2.854
  110   HD23  LEU  18          HD23      LEU  18   0.653  -3.816   2.008
  111    H    CYS  19           H        CYS  19   2.204  -0.986  -0.328
  112    HA   CYS  19           HA       CYS  19   2.104   1.888  -0.772
  113    HB2  CYS  19           HB2      CYS  19   3.673  -0.167  -2.352
  114    HB3  CYS  19           HB1      CYS  19   3.561   1.552  -2.725
  115    H    CYS  20           H        CYS  20   1.453   2.160  -3.262
  116    HA   CYS  20           HA       CYS  20  -1.104   0.771  -3.308
  117    HB2  CYS  20           HB2      CYS  20  -1.095   3.227  -3.185
  118    HB3  CYS  20           HB1      CYS  20  -0.212   3.290  -4.703
  119    H    VAL  21           H        VAL  21  -1.282  -0.839  -4.627
  120    HA   VAL  21           HA       VAL  21  -0.175  -0.649  -7.341
  121    HB   VAL  21           HB       VAL  21   0.083  -3.168  -7.339
  122   HG11  VAL  21          HG11      VAL  21   2.053  -1.809  -7.026
  123   HG12  VAL  21          HG12      VAL  21   2.166  -3.273  -6.050
  124   HG13  VAL  21          3HG1      VAL  21   1.756  -1.736  -5.290
  125   HG21  VAL  21          HG21      VAL  21  -0.324  -2.916  -4.355
  126   HG22  VAL  21          HG22      VAL  21   0.198  -4.375  -5.199
  127   HG23  VAL  21          HG23      VAL  21  -1.412  -3.718  -5.488
  128    H    GLY  22           H        GLY  22  -2.619   0.259  -6.484
  129    HA2  GLY  22           HA2      GLY  22  -4.752   0.082  -7.568
  130    HA3  GLY  22           HA1      GLY  22  -4.467  -1.658  -7.731
  131    H    ILE  23           H        ILE  23  -3.618  -2.379  -5.476
  132    HA   ILE  23           HA       ILE  23  -5.507  -1.533  -3.402
  133    HB   ILE  23           HB       ILE  23  -5.401  -3.825  -2.466
  134   HG12  ILE  23          HG12      ILE  23  -3.911  -4.558  -5.004
  135   HG13  ILE  23          HG11      ILE  23  -3.187  -4.446  -3.406
  136   HG21  ILE  23          HG21      ILE  23  -7.257  -3.270  -3.923
  137   HG22  ILE  23          HG22      ILE  23  -6.805  -4.963  -4.128
  138   HG23  ILE  23          HG23      ILE  23  -6.326  -3.770  -5.336
  139   HD11  ILE  23          HD11      ILE  23  -5.331  -6.379  -4.249
  140   HD12  ILE  23          HD12      ILE  23  -4.611  -6.278  -2.643
  141   HD13  ILE  23          HD13      ILE  23  -3.623  -6.752  -4.021
  142    H    CYS  24           H        CYS  24  -4.542  -1.885  -1.231
  143    HA   CYS  24           HA       CYS  24  -1.807  -1.033  -1.232
  144    HB2  CYS  24           HB2      CYS  24  -3.672  -1.688   1.048
  145    HB3  CYS  24           HB1      CYS  24  -2.069  -0.982   1.224
  146    H    ALA  25           H        ALA  25  -0.176  -2.326  -1.360
  147    HA   ALA  25           HA       ALA  25  -0.199  -4.864   0.045
  148    HB1  ALA  25           HB1      ALA  25  -0.937  -5.430  -2.229
  149    HB2  ALA  25           HB2      ALA  25   0.686  -6.051  -1.926
  150    HB3  ALA  25           HB3      ALA  25   0.466  -4.596  -2.895
  151    H    LYS  26           H        LYS  26   2.014  -5.718   0.151
  152    HA   LYS  26           HA       LYS  26   3.846  -3.531   0.604
  153    HB2  LYS  26           HB2      LYS  26   3.459  -5.449   2.218
  154    HB3  LYS  26           HB1      LYS  26   4.282  -6.484   1.063
  155    HG2  LYS  26           HG2      LYS  26   6.302  -5.154   1.287
  156    HG3  LYS  26           HG1      LYS  26   5.476  -4.072   2.409
  157    HD2  LYS  26           HD2      LYS  26   5.070  -6.023   3.894
  158    HD3  LYS  26           HD1      LYS  26   6.064  -7.000   2.813
  159    HE2  LYS  26           HE2      LYS  26   6.958  -4.529   4.276
  160    HE3  LYS  26           HE1      LYS  26   7.325  -6.183   4.767
  161    HZ1  LYS  26           HZ1      LYS  26   8.186  -4.895   2.229
  162    HZ2  LYS  26           HZ2      LYS  26   8.587  -6.461   2.708
  163    HZ3  LYS  26           HZ3      LYS  26   9.135  -5.129   3.588
  164    H    THR  27           H        THR  27   5.177  -2.903  -0.939
  165    HA   THR  27           HA       THR  27   5.446  -4.439  -3.318
  166    HB   THR  27           HB       THR  27   6.789  -2.320  -3.939
  167    HG1  THR  27           HG1      THR  27   7.004  -0.917  -2.452
  168   HG21  THR  27          HG21      THR  27   3.852  -2.164  -3.234
  169   HG22  THR  27          HG22      THR  27   4.519  -2.774  -4.749
  170   HG23  THR  27          HG23      THR  27   4.696  -1.070  -4.329
  171    H    ILE  28           H        ILE  28   7.738  -4.296  -4.353
  172    HA   ILE  28           HA       ILE  28   9.582  -5.720  -2.707
  173    HB   ILE  28           HB       ILE  28  10.027  -4.422  -5.423
  174   HG12  ILE  28          HG12      ILE  28   9.246  -7.277  -4.790
  175   HG13  ILE  28          HG11      ILE  28   8.136  -6.040  -5.364
  176   HG21  ILE  28          HG21      ILE  28  11.547  -6.630  -4.022
  177   HG22  ILE  28          HG22      ILE  28  12.118  -4.982  -4.287
  178   HG23  ILE  28          HG23      ILE  28  11.853  -6.055  -5.661
  179   HD11  ILE  28          HD11      ILE  28  10.523  -7.094  -6.845
  180   HD12  ILE  28          HD12      ILE  28   9.400  -5.866  -7.433
  181   HD13  ILE  28          HD13      ILE  28   8.838  -7.517  -7.156
  182    H    ALA  29           H        ALA  29   9.485  -2.535  -4.204
  183    HA   ALA  29           HA       ALA  29  11.593  -1.611  -2.417
  184    HB1  ALA  29           HB1      ALA  29  11.713   0.335  -3.911
  185    HB2  ALA  29           HB2      ALA  29  10.378  -0.309  -4.864
  186    HB3  ALA  29           HB3      ALA  29  11.917  -1.167  -4.810
  187    HA   PRO  30           HA       PRO  30   8.250   0.178  -0.112
  188    HB2  PRO  30           HB2      PRO  30   9.719   1.519   1.721
  189    HB3  PRO  30           HB1      PRO  30   9.502  -0.235   1.773
  190    HG2  PRO  30           HG2      PRO  30  11.836   1.364   0.847
  191    HG3  PRO  30           HG1      PRO  30  11.807  -0.192   1.689
  192    HD2  PRO  30           HD2      PRO  30  12.212   0.133  -1.023
  193    HD3  PRO  30           HD1      PRO  30  11.641  -1.364  -0.266
  194    H    CYS  31           H        CYS  31   7.081   1.970  -0.373
  195    HA   CYS  31           HA       CYS  31   8.149   4.185  -1.858
  196    HB2  CYS  31           HB2      CYS  31   5.742   4.918  -1.753
  197    HB3  CYS  31           HB1      CYS  31   6.014   3.353  -2.515
  198    H    LYS  32           H        LYS  32   7.990   3.401   1.365
  199    HA   LYS  32           HA       LYS  32   7.841   6.211   2.149
  200    HB2  LYS  32           HB2      LYS  32   7.113   3.787   3.802
  201    HB3  LYS  32           HB1      LYS  32   7.067   5.454   4.353
  202    HG2  LYS  32           HG2      LYS  32   5.340   5.936   2.659
  203    HG3  LYS  32           HG1      LYS  32   5.358   4.234   2.195
  204    HD2  LYS  32           HD2      LYS  32   4.744   3.633   4.502
  205    HD3  LYS  32           HD1      LYS  32   4.658   5.348   4.901
  206    HE2  LYS  32           HE2      LYS  32   2.901   5.642   3.226
  207    HE3  LYS  32           HE1      LYS  32   2.970   3.918   2.848
  208    HZ1  LYS  32           HZ1      LYS  32   2.188   5.144   5.431
  209    HZ2  LYS  32           HZ2      LYS  32   2.454   3.517   5.220
  210    HZ3  LYS  32           HZ3      LYS  32   1.177   4.263   4.399
  Start of MODEL   14
    1    H1   CYS   1           HT1      CYS   1  -5.793   6.101   7.140
    2    H2   CYS   1           HT2      CYS   1  -6.169   4.561   7.748
    3    H3   CYS   1           HT3      CYS   1  -7.230   5.318   6.696
    4    HA   CYS   1           HA       CYS   1  -5.667   5.145   4.933
    5    HB2  CYS   1           HB2      CYS   1  -3.619   3.743   5.348
    6    HB3  CYS   1           HB1      CYS   1  -3.573   5.327   6.096
    7    H    ALA   2           H        ALA   2  -5.286   3.087   3.746
    8    HA   ALA   2           HA       ALA   2  -7.294   1.131   4.516
    9    HB1  ALA   2           HB1      ALA   2  -7.434   2.101   2.300
   10    HB2  ALA   2           HB2      ALA   2  -7.089   0.376   2.200
   11    HB3  ALA   2           HB3      ALA   2  -5.799   1.553   1.931
   12    H    VAL   3           H        VAL   3  -6.815  -1.061   4.572
   13    HA   VAL   3           HA       VAL   3  -4.059  -1.616   5.361
   14    HB   VAL   3           HB       VAL   3  -4.914  -3.687   6.314
   15   HG11  VAL   3          HG11      VAL   3  -6.665  -1.340   7.032
   16   HG12  VAL   3          HG12      VAL   3  -5.071  -1.691   7.696
   17   HG13  VAL   3          3HG1      VAL   3  -6.422  -2.777   8.025
   18   HG21  VAL   3          HG21      VAL   3  -7.341  -4.209   6.264
   19   HG22  VAL   3          HG22      VAL   3  -6.585  -4.253   4.666
   20   HG23  VAL   3          HG23      VAL   3  -7.563  -2.871   5.127
   21    H    THR   4           H        THR   4  -3.612  -4.196   4.814
   22    HA   THR   4           HA       THR   4  -2.990  -4.267   2.116
   23    HB   THR   4           HB       THR   4  -3.318  -6.650   3.958
   24    HG1  THR   4           HG1      THR   4  -0.916  -6.112   4.172
   25   HG21  THR   4          HG21      THR   4  -2.865  -7.179   1.597
   26   HG22  THR   4          HG22      THR   4  -1.477  -7.584   2.609
   27   HG23  THR   4          HG23      THR   4  -1.458  -6.116   1.629
   28    H    HIS   5           H        HIS   5  -4.056  -4.959   0.399
   29    HA   HIS   5           HA       HIS   5  -5.481  -5.933  -0.988
   30    HB2  HIS   5           HB2      HIS   5  -6.752  -7.247   1.420
   31    HB3  HIS   5           HB1      HIS   5  -7.334  -7.486  -0.225
   32    HD1  HIS   5           HD1      HIS   5  -5.395  -9.243   2.102
   33    HD2  HIS   5           HD2      HIS   5  -4.846  -8.239  -1.890
   34    HE1  HIS   5           HE1      HIS   5  -3.711 -10.875   1.193
   35    H    GLU   6           H        GLU   6  -6.306  -3.610   1.164
   36    HA   GLU   6           HA       GLU   6  -8.876  -3.122  -0.080
   37    HB2  GLU   6           HB2      GLU   6  -7.204  -1.598   1.883
   38    HB3  GLU   6           HB1      GLU   6  -8.628  -0.862   1.132
   39    HG2  GLU   6           HG2      GLU   6  -9.887  -2.822   2.100
   40    HG3  GLU   6           HG1      GLU   6  -8.417  -3.181   3.013
   41    H    LYS   7           H        LYS   7  -9.241  -1.148  -1.351
   42    HA   LYS   7           HA       LYS   7  -7.171  -0.860  -3.278
   43    HB2  LYS   7           HB2      LYS   7  -9.769   0.623  -2.969
   44    HB3  LYS   7           HB1      LYS   7  -8.643   0.886  -4.288
   45    HG2  LYS   7           HG2      LYS   7  -8.907  -1.519  -4.892
   46    HG3  LYS   7           HG1      LYS   7 -10.186  -1.620  -3.676
   47    HD2  LYS   7           HD2      LYS   7 -11.399   0.165  -4.809
   48    HD3  LYS   7           HD1      LYS   7 -10.127   0.268  -6.016
   49    HE2  LYS   7           HE2      LYS   7 -10.581  -2.072  -6.653
   50    HE3  LYS   7           HE1      LYS   7 -11.910  -2.096  -5.493
   51    HZ1  LYS   7           HZ1      LYS   7 -12.997  -0.336  -6.743
   52    HZ2  LYS   7           HZ2      LYS   7 -12.681  -1.640  -7.749
   53    HZ3  LYS   7           HZ3      LYS   7 -11.717  -0.273  -7.831
   54    H    CYS   8           H        CYS   8  -6.127   1.102  -3.869
   55    HA   CYS   8           HA       CYS   8  -5.687   2.790  -1.521
   56    HB2  CYS   8           HB2      CYS   8  -3.397   3.074  -2.420
   57    HB3  CYS   8           HB1      CYS   8  -3.774   1.425  -1.936
   58    H    SER   9           H        SER   9  -5.811   4.905  -1.766
   59    HA   SER   9           HA       SER   9  -6.540   5.995  -4.359
   60    HB2  SER   9           HB2      SER   9  -6.191   7.490  -1.768
   61    HB3  SER   9           HB1      SER   9  -7.267   7.872  -3.119
   62    HG   SER   9           HG       SER   9  -7.452   5.885  -1.158
   63    H    ASP  10           H        ASP  10  -3.868   5.747  -2.169
   64    HA   ASP  10           HA       ASP  10  -1.963   6.865  -3.948
   65    HB2  ASP  10           HB2      ASP  10  -2.848   8.989  -2.952
   66    HB3  ASP  10           HB1      ASP  10  -2.538   8.348  -1.345
   67    H    ASP  11           H        ASP  11   0.227   6.788  -2.701
   68    HA   ASP  11           HA       ASP  11   0.499   4.219  -1.529
   69    HB2  ASP  11           HB2      ASP  11   2.470   6.519  -1.556
   70    HB3  ASP  11           HB1      ASP  11   2.853   4.846  -1.170
   71    H    TYR  12           H        TYR  12   0.339   7.491  -0.251
   72    HA   TYR  12           HA       TYR  12   0.800   6.541   2.436
   73    HB2  TYR  12           HB2      TYR  12   0.349   9.298   1.308
   74    HB3  TYR  12           HB1      TYR  12   0.414   8.991   3.042
   75    HD1  TYR  12           HD1      TYR  12   2.466   9.091   4.126
   76    HD2  TYR  12           HD2      TYR  12   2.382   8.392  -0.058
   77    HE1  TYR  12           HE1      TYR  12   4.923   9.206   4.062
   78    HE2  TYR  12           HE2      TYR  12   4.828   8.510  -0.140
   79    HH   TYR  12           HH       TYR  12   6.623   9.454   1.136
   80    H    ASP  13           H        ASP  13  -1.684   6.335   0.514
   81    HA   ASP  13           HA       ASP  13  -3.741   6.901   2.489
   82    HB2  ASP  13           HB2      ASP  13  -4.243   7.358   0.122
   83    HB3  ASP  13           HB1      ASP  13  -3.882   5.692  -0.291
   84    H    CYS  14           H        CYS  14  -1.571   4.513   1.694
   85    HA   CYS  14           HA       CYS  14  -3.143   2.334   2.844
   86    HB2  CYS  14           HB2      CYS  14  -0.407   2.313   1.561
   87    HB3  CYS  14           HB1      CYS  14  -1.340   0.906   2.067
   88    H    CYS  15           H        CYS  15  -2.571   1.372   4.740
   89    HA   CYS  15           HA       CYS  15  -1.175   2.899   6.680
   90    HB2  CYS  15           HB2      CYS  15  -2.094   0.027   6.773
   91    HB3  CYS  15           HB1      CYS  15  -1.630   1.010   8.159
   92    H    GLY  16           H        GLY  16   0.696   2.281   7.889
   93    HA2  GLY  16           HA2      GLY  16   2.821   1.579   8.195
   94    HA3  GLY  16           HA1      GLY  16   2.275   0.048   7.546
   95    H    SER  17           H        SER  17   3.974  -0.513   6.338
   96    HA   SER  17           HA       SER  17   5.267   1.386   4.614
   97    HB2  SER  17           HB2      SER  17   6.739  -0.637   4.168
   98    HB3  SER  17           HB1      SER  17   6.699  -0.039   5.830
   99    HG   SER  17           HG       SER  17   6.255  -2.052   6.243
  100    H    LEU  18           H        LEU  18   2.451  -0.080   4.189
  101    HA   LEU  18           HA       LEU  18   2.698  -1.545   1.773
  102    HB2  LEU  18           HB2      LEU  18   0.335  -0.001   2.798
  103    HB3  LEU  18           HB1      LEU  18   0.290  -1.213   1.536
  104    HG   LEU  18           HG       LEU  18   0.869  -1.667   4.451
  105   HD11  LEU  18          HD11      LEU  18  -1.295  -2.827   4.416
  106   HD12  LEU  18          HD12      LEU  18  -1.501  -2.351   2.737
  107   HD13  LEU  18          HD13      LEU  18  -1.439  -1.121   3.998
  108   HD21  LEU  18          HD21      LEU  18   0.770  -4.062   3.896
  109   HD22  LEU  18          HD22      LEU  18   2.107  -3.259   3.078
  110   HD23  LEU  18          HD23      LEU  18   0.638  -3.652   2.185
  111    H    CYS  19           H        CYS  19   2.223  -0.905  -0.323
  112    HA   CYS  19           HA       CYS  19   2.327   1.973  -0.798
  113    HB2  CYS  19           HB2      CYS  19   3.761  -0.223  -2.299
  114    HB3  CYS  19           HB1      CYS  19   3.674   1.455  -2.829
  115    H    CYS  20           H        CYS  20   1.488   2.513  -3.031
  116    HA   CYS  20           HA       CYS  20  -0.982   1.034  -3.283
  117    HB2  CYS  20           HB2      CYS  20  -1.128   3.437  -2.999
  118    HB3  CYS  20           HB1      CYS  20  -0.102   3.694  -4.399
  119    H    VAL  21           H        VAL  21  -1.108  -0.470  -4.691
  120    HA   VAL  21           HA       VAL  21  -0.141  -0.026  -7.360
  121    HB   VAL  21           HB       VAL  21   1.676  -1.320  -6.354
  122   HG11  VAL  21          HG11      VAL  21   1.386  -3.556  -5.398
  123   HG12  VAL  21          HG12      VAL  21  -0.365  -3.348  -5.500
  124   HG13  VAL  21          3HG1      VAL  21   0.588  -2.290  -4.464
  125   HG21  VAL  21          HG21      VAL  21   1.723  -3.325  -7.797
  126   HG22  VAL  21          HG22      VAL  21   1.186  -1.886  -8.661
  127   HG23  VAL  21          HG23      VAL  21   0.010  -3.092  -8.143
  128    H    GLY  22           H        GLY  22  -2.429   0.530  -7.164
  129    HA2  GLY  22           HA2      GLY  22  -4.580   0.050  -7.906
  130    HA3  GLY  22           HA1      GLY  22  -4.177  -1.670  -7.922
  131    H    ILE  23           H        ILE  23  -3.364  -2.235  -5.582
  132    HA   ILE  23           HA       ILE  23  -5.336  -1.349  -3.625
  133    HB   ILE  23           HB       ILE  23  -5.267  -3.633  -2.659
  134   HG12  ILE  23          HG12      ILE  23  -3.749  -4.384  -5.178
  135   HG13  ILE  23          HG11      ILE  23  -3.046  -4.287  -3.569
  136   HG21  ILE  23          HG21      ILE  23  -6.140  -3.539  -5.540
  137   HG22  ILE  23          HG22      ILE  23  -7.091  -3.050  -4.137
  138   HG23  ILE  23          HG23      ILE  23  -6.647  -4.744  -4.357
  139   HD11  ILE  23          HD11      ILE  23  -4.472  -6.118  -2.831
  140   HD12  ILE  23          HD12      ILE  23  -3.512  -6.587  -4.235
  141   HD13  ILE  23          HD13      ILE  23  -5.219  -6.186  -4.426
  142    H    CYS  24           H        CYS  24  -4.527  -1.742  -1.417
  143    HA   CYS  24           HA       CYS  24  -1.812  -0.885  -1.170
  144    HB2  CYS  24           HB2      CYS  24  -3.869  -1.651   0.912
  145    HB3  CYS  24           HB1      CYS  24  -2.298  -0.939   1.258
  146    H    ALA  25           H        ALA  25  -0.233  -2.250  -1.349
  147    HA   ALA  25           HA       ALA  25  -0.435  -4.858  -0.066
  148    HB1  ALA  25           HB1      ALA  25  -0.978  -5.231  -2.426
  149    HB2  ALA  25           HB2      ALA  25   0.591  -5.931  -2.025
  150    HB3  ALA  25           HB3      ALA  25   0.506  -4.405  -2.904
  151    H    LYS  26           H        LYS  26   1.721  -5.796   0.232
  152    HA   LYS  26           HA       LYS  26   3.599  -3.700   0.843
  153    HB2  LYS  26           HB2      LYS  26   3.130  -5.464   2.527
  154    HB3  LYS  26           HB1      LYS  26   3.708  -6.678   1.398
  155    HG2  LYS  26           HG2      LYS  26   5.407  -6.208   3.041
  156    HG3  LYS  26           HG1      LYS  26   5.937  -5.648   1.454
  157    HD2  LYS  26           HD2      LYS  26   5.228  -3.357   2.073
  158    HD3  LYS  26           HD1      LYS  26   4.805  -3.951   3.677
  159    HE2  LYS  26           HE2      LYS  26   7.000  -2.913   3.708
  160    HE3  LYS  26           HE1      LYS  26   7.132  -4.641   4.024
  161    HZ1  LYS  26           HZ1      LYS  26   8.815  -3.852   2.481
  162    HZ2  LYS  26           HZ2      LYS  26   7.630  -3.368   1.376
  163    HZ3  LYS  26           HZ3      LYS  26   7.826  -4.991   1.761
  164    H    THR  27           H        THR  27   4.873  -3.091  -0.750
  165    HA   THR  27           HA       THR  27   5.434  -4.805  -2.954
  166    HB   THR  27           HB       THR  27   6.684  -2.753  -3.724
  167    HG1  THR  27           HG1      THR  27   7.023  -1.239  -2.329
  168   HG21  THR  27          HG21      THR  27   4.335  -3.143  -4.360
  169   HG22  THR  27          HG22      THR  27   4.638  -1.424  -4.108
  170   HG23  THR  27          HG23      THR  27   3.805  -2.365  -2.870
  171    H    ILE  28           H        ILE  28   7.693  -5.068  -3.687
  172    HA   ILE  28           HA       ILE  28   9.371  -6.027  -1.588
  173    HB   ILE  28           HB       ILE  28   9.993  -5.624  -4.541
  174   HG12  ILE  28          HG12      ILE  28   9.033  -8.117  -3.100
  175   HG13  ILE  28          HG11      ILE  28   8.054  -7.120  -4.164
  176   HG21  ILE  28          HG21      ILE  28  11.770  -7.287  -4.179
  177   HG22  ILE  28          HG22      ILE  28  11.390  -7.306  -2.457
  178   HG23  ILE  28          HG23      ILE  28  12.010  -5.837  -3.205
  179   HD11  ILE  28          HD11      ILE  28  10.495  -8.690  -4.965
  180   HD12  ILE  28          HD12      ILE  28   9.510  -7.697  -6.039
  181   HD13  ILE  28          HD13      ILE  28   8.820  -9.134  -5.284
  182    H    ALA  29           H        ALA  29   9.457  -3.394  -3.917
  183    HA   ALA  29           HA       ALA  29  11.667  -2.148  -2.507
  184    HB1  ALA  29           HB1      ALA  29  11.630  -0.515  -4.358
  185    HB2  ALA  29           HB2      ALA  29  10.208  -1.321  -5.022
  186    HB3  ALA  29           HB3      ALA  29  11.749  -2.172  -4.946
  187    HA   PRO  30           HA       PRO  30   8.633   0.191  -0.101
  188    HB2  PRO  30           HB2      PRO  30  11.001   1.770   0.680
  189    HB3  PRO  30           HB1      PRO  30   9.875   0.877   1.705
  190    HG2  PRO  30           HG2      PRO  30  12.366  -0.001   1.297
  191    HG3  PRO  30           HG1      PRO  30  11.001  -1.126   1.419
  192    HD2  PRO  30           HD2      PRO  30  12.443  -0.155  -1.014
  193    HD3  PRO  30           HD1      PRO  30  11.853  -1.784  -0.603
  194    H    CYS  31           H        CYS  31   7.558   2.073  -0.465
  195    HA   CYS  31           HA       CYS  31   8.591   3.798  -2.599
  196    HB2  CYS  31           HB2      CYS  31   6.221   4.458  -2.859
  197    HB3  CYS  31           HB1      CYS  31   6.465   2.723  -3.060
  198    H    LYS  32           H        LYS  32   8.140   3.701   0.732
  199    HA   LYS  32           HA       LYS  32   7.775   6.596   0.912
  200    HB2  LYS  32           HB2      LYS  32   7.381   4.466   3.026
  201    HB3  LYS  32           HB1      LYS  32   7.042   6.181   3.215
  202    HG2  LYS  32           HG2      LYS  32   5.287   6.050   1.551
  203    HG3  LYS  32           HG1      LYS  32   5.662   4.354   1.258
  204    HD2  LYS  32           HD2      LYS  32   5.062   3.862   3.614
  205    HD3  LYS  32           HD1      LYS  32   4.600   5.556   3.814
  206    HE2  LYS  32           HE2      LYS  32   2.936   5.318   2.045
  207    HE3  LYS  32           HE1      LYS  32   3.408   3.638   1.818
  208    HZ1  LYS  32           HZ1      LYS  32   1.436   3.738   3.146
  209    HZ2  LYS  32           HZ2      LYS  32   2.136   4.804   4.235
  210    HZ3  LYS  32           HZ3      LYS  32   2.697   3.232   4.145
  Start of MODEL   15
    1    H1   CYS   1           HT1      CYS   1  -6.304   4.318   7.928
    2    H2   CYS   1           HT2      CYS   1  -7.331   5.053   6.824
    3    H3   CYS   1           HT3      CYS   1  -5.989   5.913   7.446
    4    HA   CYS   1           HA       CYS   1  -5.589   5.138   5.215
    5    HB2  CYS   1           HB2      CYS   1  -3.521   3.814   5.680
    6    HB3  CYS   1           HB1      CYS   1  -3.650   5.251   6.682
    7    H    ALA   2           H        ALA   2  -5.368   3.374   3.763
    8    HA   ALA   2           HA       ALA   2  -7.332   1.324   4.263
    9    HB1  ALA   2           HB1      ALA   2  -7.254   2.467   2.092
   10    HB2  ALA   2           HB2      ALA   2  -6.970   0.737   1.914
   11    HB3  ALA   2           HB3      ALA   2  -5.617   1.866   1.837
   12    H    VAL   3           H        VAL   3  -6.919  -0.791   4.549
   13    HA   VAL   3           HA       VAL   3  -4.192  -1.435   5.345
   14    HB   VAL   3           HB       VAL   3  -5.121  -3.453   6.368
   15   HG11  VAL   3          HG11      VAL   3  -6.701  -0.990   7.061
   16   HG12  VAL   3          HG12      VAL   3  -5.121  -1.443   7.701
   17   HG13  VAL   3          3HG1      VAL   3  -6.540  -2.422   8.079
   18   HG21  VAL   3          HG21      VAL   3  -6.872  -3.985   4.778
   19   HG22  VAL   3          HG22      VAL   3  -7.751  -2.535   5.216
   20   HG23  VAL   3          HG23      VAL   3  -7.580  -3.849   6.394
   21    H    THR   4           H        THR   4  -3.832  -4.006   4.943
   22    HA   THR   4           HA       THR   4  -3.096  -4.225   2.293
   23    HB   THR   4           HB       THR   4  -3.587  -6.534   4.192
   24    HG1  THR   4           HG1      THR   4  -1.067  -5.775   4.332
   25   HG21  THR   4          HG21      THR   4  -1.560  -6.069   1.992
   26   HG22  THR   4          HG22      THR   4  -2.972  -7.117   1.874
   27   HG23  THR   4          HG23      THR   4  -1.666  -7.519   2.994
   28    H    HIS   5           H        HIS   5  -4.105  -4.863   0.554
   29    HA   HIS   5           HA       HIS   5  -5.484  -5.808  -0.889
   30    HB2  HIS   5           HB2      HIS   5  -6.770  -7.156   1.475
   31    HB3  HIS   5           HB1      HIS   5  -7.397  -7.330  -0.159
   32    HD1  HIS   5           HD1      HIS   5  -5.221  -9.026   2.124
   33    HD2  HIS   5           HD2      HIS   5  -5.189  -8.280  -1.963
   34    HE1  HIS   5           HE1      HIS   5  -3.706 -10.749   1.109
   35    H    GLU   6           H        GLU   6  -6.432  -3.496   1.296
   36    HA   GLU   6           HA       GLU   6  -8.974  -3.005   0.018
   37    HB2  GLU   6           HB2      GLU   6  -7.280  -1.394   1.923
   38    HB3  GLU   6           HB1      GLU   6  -8.724  -0.709   1.176
   39    HG2  GLU   6           HG2      GLU   6  -9.946  -2.643   2.234
   40    HG3  GLU   6           HG1      GLU   6  -8.456  -2.962   3.124
   41    H    LYS   7           H        LYS   7  -9.309  -0.935  -1.282
   42    HA   LYS   7           HA       LYS   7  -7.292  -0.835  -3.261
   43    HB2  LYS   7           HB2      LYS   7  -9.717  -0.679  -3.778
   44    HB3  LYS   7           HB1      LYS   7  -9.785   0.848  -2.912
   45    HG2  LYS   7           HG2      LYS   7  -8.321   1.868  -4.458
   46    HG3  LYS   7           HG1      LYS   7  -8.037   0.327  -5.270
   47    HD2  LYS   7           HD2      LYS   7 -10.412   0.261  -5.930
   48    HD3  LYS   7           HD1      LYS   7 -10.653   1.814  -5.126
   49    HE2  LYS   7           HE2      LYS   7 -10.378   2.038  -7.576
   50    HE3  LYS   7           HE1      LYS   7  -9.149   2.907  -6.668
   51    HZ1  LYS   7           HZ1      LYS   7  -8.774   0.238  -7.929
   52    HZ2  LYS   7           HZ2      LYS   7  -7.594   1.120  -7.113
   53    HZ3  LYS   7           HZ3      LYS   7  -8.217   1.703  -8.549
   54    H    CYS   8           H        CYS   8  -6.169   1.131  -3.882
   55    HA   CYS   8           HA       CYS   8  -5.563   2.782  -1.516
   56    HB2  CYS   8           HB2      CYS   8  -3.305   2.975  -2.539
   57    HB3  CYS   8           HB1      CYS   8  -3.738   1.343  -2.038
   58    H    SER   9           H        SER   9  -5.607   4.967  -1.744
   59    HA   SER   9           HA       SER   9  -6.367   6.114  -4.276
   60    HB2  SER   9           HB2      SER   9  -5.513   7.523  -1.734
   61    HB3  SER   9           HB1      SER   9  -6.505   8.183  -3.033
   62    HG   SER   9           HG       SER   9  -7.132   6.292  -1.063
   63    H    ASP  10           H        ASP  10  -3.560   6.222  -2.080
   64    HA   ASP  10           HA       ASP  10  -1.775   6.369  -4.311
   65    HB2  ASP  10           HB2      ASP  10  -0.643   8.351  -3.679
   66    HB3  ASP  10           HB1      ASP  10  -2.329   8.795  -3.484
   67    H    ASP  11           H        ASP  11   0.564   6.441  -3.028
   68    HA   ASP  11           HA       ASP  11   0.620   3.924  -1.724
   69    HB2  ASP  11           HB2      ASP  11   2.792   6.037  -1.819
   70    HB3  ASP  11           HB1      ASP  11   3.021   4.375  -1.301
   71    H    TYR  12           H        TYR  12   0.640   7.227  -0.496
   72    HA   TYR  12           HA       TYR  12   1.169   6.356   2.204
   73    HB2  TYR  12           HB2      TYR  12   0.784   9.051   0.941
   74    HB3  TYR  12           HB1      TYR  12   0.857   8.846   2.685
   75    HD1  TYR  12           HD1      TYR  12   2.773   8.668  -0.445
   76    HD2  TYR  12           HD2      TYR  12   2.916   8.305   3.781
   77    HE1  TYR  12           HE1      TYR  12   5.233   8.747  -0.527
   78    HE2  TYR  12           HE2      TYR  12   5.359   8.384   3.719
   79    HH   TYR  12           HH       TYR  12   7.083   9.310   0.957
   80    H    ASP  13           H        ASP  13  -1.453   6.188   0.407
   81    HA   ASP  13           HA       ASP  13  -3.369   7.027   2.434
   82    HB2  ASP  13           HB2      ASP  13  -3.877   7.320   0.016
   83    HB3  ASP  13           HB1      ASP  13  -3.778   5.583  -0.205
   84    H    CYS  14           H        CYS  14  -1.470   4.398   1.657
   85    HA   CYS  14           HA       CYS  14  -3.197   2.405   2.885
   86    HB2  CYS  14           HB2      CYS  14  -0.484   2.134   1.598
   87    HB3  CYS  14           HB1      CYS  14  -1.560   0.825   2.091
   88    H    CYS  15           H        CYS  15  -2.595   1.287   4.732
   89    HA   CYS  15           HA       CYS  15  -1.167   2.736   6.710
   90    HB2  CYS  15           HB2      CYS  15  -2.065  -0.147   6.749
   91    HB3  CYS  15           HB1      CYS  15  -1.664   0.837   8.151
   92    H    GLY  16           H        GLY  16   0.749   2.110   7.823
   93    HA2  GLY  16           HA2      GLY  16   2.868   1.309   8.113
   94    HA3  GLY  16           HA1      GLY  16   2.248  -0.197   7.472
   95    H    SER  17           H        SER  17   3.705  -0.923   6.061
   96    HA   SER  17           HA       SER  17   5.220   0.911   4.419
   97    HB2  SER  17           HB2      SER  17   6.425  -1.256   3.878
   98    HB3  SER  17           HB1      SER  17   6.509  -0.710   5.553
   99    HG   SER  17           HG       SER  17   6.025  -2.838   5.538
  100    H    LEU  18           H        LEU  18   2.277  -0.243   4.074
  101    HA   LEU  18           HA       LEU  18   2.384  -1.673   1.623
  102    HB2  LEU  18           HB2      LEU  18   0.101  -0.103   2.768
  103    HB3  LEU  18           HB1      LEU  18  -0.006  -1.359   1.551
  104    HG   LEU  18           HG       LEU  18   0.705  -1.722   4.460
  105   HD11  LEU  18          HD11      LEU  18  -1.724  -2.437   2.870
  106   HD12  LEU  18          HD12      LEU  18  -1.606  -1.189   4.114
  107   HD13  LEU  18          HD13      LEU  18  -1.438  -2.894   4.547
  108   HD21  LEU  18          HD21      LEU  18   0.581  -4.124   4.004
  109   HD22  LEU  18          HD22      LEU  18   1.871  -3.363   3.075
  110   HD23  LEU  18          HD23      LEU  18   0.351  -3.789   2.289
  111    H    CYS  19           H        CYS  19   2.080  -0.931  -0.413
  112    HA   CYS  19           HA       CYS  19   2.058   1.958  -0.783
  113    HB2  CYS  19           HB2      CYS  19   3.565  -0.134  -2.380
  114    HB3  CYS  19           HB1      CYS  19   3.510   1.587  -2.747
  115    H    CYS  20           H        CYS  20   1.452   2.283  -3.277
  116    HA   CYS  20           HA       CYS  20  -1.127   0.941  -3.428
  117    HB2  CYS  20           HB2      CYS  20  -1.124   3.375  -3.281
  118    HB3  CYS  20           HB1      CYS  20  -0.136   3.472  -4.728
  119    H    VAL  21           H        VAL  21  -1.304  -0.655  -4.753
  120    HA   VAL  21           HA       VAL  21  -0.175  -0.497  -7.444
  121    HB   VAL  21           HB       VAL  21   0.247  -2.996  -7.349
  122   HG11  VAL  21          HG11      VAL  21   2.114  -1.460  -7.161
  123   HG12  VAL  21          HG12      VAL  21   2.380  -2.862  -6.125
  124   HG13  VAL  21          3HG1      VAL  21   1.860  -1.332  -5.422
  125   HG21  VAL  21          HG21      VAL  21  -0.088  -2.619  -4.365
  126   HG22  VAL  21          HG22      VAL  21   0.520  -4.078  -5.148
  127   HG23  VAL  21          HG23      VAL  21  -1.145  -3.561  -5.417
  128    H    GLY  22           H        GLY  22  -2.646   0.282  -6.661
  129    HA2  GLY  22           HA2      GLY  22  -4.781  -0.033  -7.647
  130    HA3  GLY  22           HA1      GLY  22  -4.423  -1.760  -7.801
  131    H    ILE  23           H        ILE  23  -3.548  -2.491  -5.551
  132    HA   ILE  23           HA       ILE  23  -5.514  -1.760  -3.498
  133    HB   ILE  23           HB       ILE  23  -5.150  -4.003  -2.522
  134   HG12  ILE  23          HG12      ILE  23  -3.569  -4.614  -5.037
  135   HG13  ILE  23          HG11      ILE  23  -2.855  -4.334  -3.456
  136   HG21  ILE  23          HG21      ILE  23  -6.386  -5.317  -4.192
  137   HG22  ILE  23          HG22      ILE  23  -6.046  -4.079  -5.401
  138   HG23  ILE  23          HG23      ILE  23  -7.045  -3.693  -4.001
  139   HD11  ILE  23          HD11      ILE  23  -4.009  -6.307  -2.599
  140   HD12  ILE  23          HD12      ILE  23  -2.976  -6.696  -3.974
  141   HD13  ILE  23          HD13      ILE  23  -4.723  -6.569  -4.189
  142    H    CYS  24           H        CYS  24  -4.634  -1.908  -1.321
  143    HA   CYS  24           HA       CYS  24  -1.952  -0.913  -1.148
  144    HB2  CYS  24           HB2      CYS  24  -3.966  -1.625   0.981
  145    HB3  CYS  24           HB1      CYS  24  -2.407  -0.880   1.293
  146    H    ALA  25           H        ALA  25  -0.301  -2.179  -1.206
  147    HA   ALA  25           HA       ALA  25  -0.217  -4.594   0.373
  148    HB1  ALA  25           HB1      ALA  25   0.277  -4.617  -2.611
  149    HB2  ALA  25           HB2      ALA  25  -1.064  -5.408  -1.781
  150    HB3  ALA  25           HB3      ALA  25   0.590  -5.958  -1.511
  151    H    LYS  26           H        LYS  26   1.916  -5.167   0.834
  152    HA   LYS  26           HA       LYS  26   3.795  -3.019   0.706
  153    HB2  LYS  26           HB2      LYS  26   3.701  -4.544   2.647
  154    HB3  LYS  26           HB1      LYS  26   4.191  -5.876   1.602
  155    HG2  LYS  26           HG2      LYS  26   6.254  -4.644   1.067
  156    HG3  LYS  26           HG1      LYS  26   5.781  -3.412   2.230
  157    HD2  LYS  26           HD2      LYS  26   5.858  -5.039   4.015
  158    HD3  LYS  26           HD1      LYS  26   6.239  -6.316   2.852
  159    HE2  LYS  26           HE2      LYS  26   7.886  -3.866   3.357
  160    HE3  LYS  26           HE1      LYS  26   8.252  -5.480   3.990
  161    HZ1  LYS  26           HZ1      LYS  26   8.172  -4.693   1.101
  162    HZ2  LYS  26           HZ2      LYS  26   8.459  -6.247   1.668
  163    HZ3  LYS  26           HZ3      LYS  26   9.549  -5.025   2.006
  164    H    THR  27           H        THR  27   5.321  -2.696  -0.726
  165    HA   THR  27           HA       THR  27   5.583  -4.578  -2.880
  166    HB   THR  27           HB       THR  27   6.774  -2.564  -3.875
  167    HG1  THR  27           HG1      THR  27   7.145  -1.005  -2.477
  168   HG21  THR  27          HG21      THR  27   4.439  -3.095  -4.404
  169   HG22  THR  27          HG22      THR  27   4.644  -1.344  -4.241
  170   HG23  THR  27          HG23      THR  27   3.918  -2.275  -2.937
  171    H    ILE  28           H        ILE  28   7.826  -4.835  -3.705
  172    HA   ILE  28           HA       ILE  28   9.615  -5.629  -1.636
  173    HB   ILE  28           HB       ILE  28  10.135  -5.343  -4.621
  174   HG12  ILE  28          HG12      ILE  28   9.320  -7.782  -3.017
  175   HG13  ILE  28          HG11      ILE  28   8.258  -6.871  -4.078
  176   HG21  ILE  28          HG21      ILE  28  11.645  -6.899  -2.509
  177   HG22  ILE  28          HG22      ILE  28  12.207  -5.436  -3.316
  178   HG23  ILE  28          HG23      ILE  28  11.985  -6.922  -4.241
  179   HD11  ILE  28          HD11      ILE  28  10.709  -8.404  -4.910
  180   HD12  ILE  28          HD12      ILE  28   9.651  -7.488  -5.983
  181   HD13  ILE  28          HD13      ILE  28   9.032  -8.906  -5.136
  182    H    ALA  29           H        ALA  29   9.518  -2.999  -3.984
  183    HA   ALA  29           HA       ALA  29  11.755  -1.699  -2.681
  184    HB1  ALA  29           HB1      ALA  29  11.691  -1.722  -5.124
  185    HB2  ALA  29           HB2      ALA  29  11.591  -0.083  -4.487
  186    HB3  ALA  29           HB3      ALA  29  10.138  -0.881  -5.098
  187    HA   PRO  30           HA       PRO  30   8.813   0.377  -0.152
  188    HB2  PRO  30           HB2      PRO  30  10.491   2.133   1.053
  189    HB3  PRO  30           HB1      PRO  30  10.445   0.417   1.472
  190    HG2  PRO  30           HG2      PRO  30  12.360   1.882  -0.290
  191    HG3  PRO  30           HG1      PRO  30  12.686   0.612   0.901
  192    HD2  PRO  30           HD2      PRO  30  12.543   0.146  -1.777
  193    HD3  PRO  30           HD1      PRO  30  12.114  -1.074  -0.568
  194    H    CYS  31           H        CYS  31   7.460   1.987  -0.552
  195    HA   CYS  31           HA       CYS  31   8.235   4.091  -2.406
  196    HB2  CYS  31           HB2      CYS  31   5.810   4.632  -2.376
  197    HB3  CYS  31           HB1      CYS  31   6.111   2.951  -2.807
  198    H    LYS  32           H        LYS  32   7.904   3.474   0.899
  199    HA   LYS  32           HA       LYS  32   7.898   6.346   1.530
  200    HB2  LYS  32           HB2      LYS  32   7.112   4.090   3.384
  201    HB3  LYS  32           HB1      LYS  32   6.896   5.810   3.632
  202    HG2  LYS  32           HG2      LYS  32   5.210   5.878   1.905
  203    HG3  LYS  32           HG1      LYS  32   5.465   4.162   1.565
  204    HD2  LYS  32           HD2      LYS  32   4.854   3.662   3.911
  205    HD3  LYS  32           HD1      LYS  32   4.490   5.372   4.138
  206    HE2  LYS  32           HE2      LYS  32   2.798   5.226   2.380
  207    HE3  LYS  32           HE1      LYS  32   3.151   3.511   2.188
  208    HZ1  LYS  32           HZ1      LYS  32   2.546   3.183   4.505
  209    HZ2  LYS  32           HZ2      LYS  32   1.233   3.785   3.637
  210    HZ3  LYS  32           HZ3      LYS  32   2.114   4.794   4.658
  Start of MODEL   16
    1    H1   CYS   1           HT1      CYS   1  -8.396   4.810   6.461
    2    H2   CYS   1           HT2      CYS   1  -7.176   5.688   7.268
    3    H3   CYS   1           HT3      CYS   1  -7.306   4.016   7.469
    4    HA   CYS   1           HA       CYS   1  -6.718   5.336   4.916
    5    HB2  CYS   1           HB2      CYS   1  -4.440   4.470   5.243
    6    HB3  CYS   1           HB1      CYS   1  -4.872   5.583   6.535
    7    H    ALA   2           H        ALA   2  -5.393   3.354   3.722
    8    HA   ALA   2           HA       ALA   2  -7.317   1.180   3.819
    9    HB1  ALA   2           HB1      ALA   2  -6.570   0.676   1.548
   10    HB2  ALA   2           HB2      ALA   2  -5.392   1.984   1.644
   11    HB3  ALA   2           HB3      ALA   2  -7.118   2.346   1.683
   12    H    VAL   3           H        VAL   3  -6.731  -0.773   4.284
   13    HA   VAL   3           HA       VAL   3  -3.989  -1.261   5.170
   14    HB   VAL   3           HB       VAL   3  -4.865  -3.228   6.307
   15   HG11  VAL   3          HG11      VAL   3  -6.528  -0.789   6.824
   16   HG12  VAL   3          HG12      VAL   3  -4.954  -1.168   7.523
   17   HG13  VAL   3          3HG1      VAL   3  -6.361  -2.154   7.925
   18   HG21  VAL   3          HG21      VAL   3  -7.532  -2.490   5.107
   19   HG22  VAL   3          HG22      VAL   3  -7.288  -3.746   6.325
   20   HG23  VAL   3          HG23      VAL   3  -6.574  -3.914   4.718
   21    H    THR   4           H        THR   4  -3.666  -3.913   4.889
   22    HA   THR   4           HA       THR   4  -2.955  -4.160   2.201
   23    HB   THR   4           HB       THR   4  -3.292  -6.449   4.169
   24    HG1  THR   4           HG1      THR   4  -1.983  -5.041   5.203
   25   HG21  THR   4          HG21      THR   4  -1.437  -7.430   2.875
   26   HG22  THR   4          HG22      THR   4  -1.446  -6.029   1.805
   27   HG23  THR   4          HG23      THR   4  -2.837  -7.113   1.849
   28    H    HIS   5           H        HIS   5  -4.006  -4.844   0.507
   29    HA   HIS   5           HA       HIS   5  -5.411  -5.844  -0.893
   30    HB2  HIS   5           HB2      HIS   5  -6.658  -7.171   1.518
   31    HB3  HIS   5           HB1      HIS   5  -7.248  -7.420  -0.121
   32    HD1  HIS   5           HD1      HIS   5  -4.913  -8.807   2.274
   33    HD2  HIS   5           HD2      HIS   5  -5.118  -8.486  -1.862
   34    HE1  HIS   5           HE1      HIS   5  -3.313 -10.519   1.357
   35    H    GLU   6           H        GLU   6  -6.212  -3.456   1.139
   36    HA   GLU   6           HA       GLU   6  -8.828  -3.053  -0.057
   37    HB2  GLU   6           HB2      GLU   6  -7.190  -1.361   1.833
   38    HB3  GLU   6           HB1      GLU   6  -8.716  -0.814   1.138
   39    HG2  GLU   6           HG2      GLU   6  -9.730  -2.844   2.226
   40    HG3  GLU   6           HG1      GLU   6  -8.193  -3.036   3.073
   41    H    LYS   7           H        LYS   7  -9.246  -1.140  -1.341
   42    HA   LYS   7           HA       LYS   7  -7.217  -0.812  -3.317
   43    HB2  LYS   7           HB2      LYS   7  -9.897   0.554  -2.988
   44    HB3  LYS   7           HB1      LYS   7  -8.861   0.698  -4.403
   45    HG2  LYS   7           HG2      LYS   7  -9.066  -1.704  -4.809
   46    HG3  LYS   7           HG1      LYS   7 -10.079  -1.850  -3.375
   47    HD2  LYS   7           HD2      LYS   7 -11.761  -0.417  -4.392
   48    HD3  LYS   7           HD1      LYS   7 -10.738  -0.201  -5.812
   49    HE2  LYS   7           HE2      LYS   7 -12.484  -1.875  -6.221
   50    HE3  LYS   7           HE1      LYS   7 -10.877  -2.587  -6.301
   51    HZ1  LYS   7           HZ1      LYS   7 -12.718  -2.771  -3.963
   52    HZ2  LYS   7           HZ2      LYS   7 -11.204  -3.512  -4.087
   53    HZ3  LYS   7           HZ3      LYS   7 -12.455  -3.974  -5.098
   54    H    CYS   8           H        CYS   8  -6.136   1.106  -3.846
   55    HA   CYS   8           HA       CYS   8  -5.862   2.885  -1.523
   56    HB2  CYS   8           HB2      CYS   8  -3.499   3.159  -2.359
   57    HB3  CYS   8           HB1      CYS   8  -3.904   1.573  -1.710
   58    H    SER   9           H        SER   9  -5.983   5.016  -1.840
   59    HA   SER   9           HA       SER   9  -6.698   5.999  -4.453
   60    HB2  SER   9           HB2      SER   9  -6.148   7.585  -1.946
   61    HB3  SER   9           HB1      SER   9  -7.210   8.014  -3.292
   62    HG   SER   9           HG       SER   9  -7.558   6.148  -1.233
   63    H    ASP  10           H        ASP  10  -3.941   5.749  -2.404
   64    HA   ASP  10           HA       ASP  10  -2.061   6.580  -4.316
   65    HB2  ASP  10           HB2      ASP  10  -2.829   8.846  -3.691
   66    HB3  ASP  10           HB1      ASP  10  -2.621   8.453  -1.987
   67    H    ASP  11           H        ASP  11   0.137   6.614  -3.113
   68    HA   ASP  11           HA       ASP  11   0.358   4.250  -1.565
   69    HB2  ASP  11           HB2      ASP  11   2.381   6.444  -2.028
   70    HB3  ASP  11           HB1      ASP  11   2.732   4.903  -1.260
   71    H    TYR  12           H        TYR  12   0.207   7.668  -0.740
   72    HA   TYR  12           HA       TYR  12   0.871   7.176   2.006
   73    HB2  TYR  12           HB2      TYR  12  -0.152   9.632   0.594
   74    HB3  TYR  12           HB1      TYR  12   0.193   9.584   2.319
   75    HD1  TYR  12           HD1      TYR  12   1.585   9.968  -0.977
   76    HD2  TYR  12           HD2      TYR  12   2.517   9.040   3.059
   77    HE1  TYR  12           HE1      TYR  12   3.958  10.456  -1.418
   78    HE2  TYR  12           HE2      TYR  12   4.878   9.531   2.636
   79    HH   TYR  12           HH       TYR  12   6.365   9.534   0.756
   80    H    ASP  13           H        ASP  13  -1.804   6.566   0.262
   81    HA   ASP  13           HA       ASP  13  -3.752   7.151   2.332
   82    HB2  ASP  13           HB2      ASP  13  -4.402   7.414  -0.024
   83    HB3  ASP  13           HB1      ASP  13  -3.992   5.742  -0.340
   84    H    CYS  14           H        CYS  14  -1.515   4.802   1.633
   85    HA   CYS  14           HA       CYS  14  -2.973   2.681   3.031
   86    HB2  CYS  14           HB2      CYS  14  -0.254   2.504   1.739
   87    HB3  CYS  14           HB1      CYS  14  -1.307   1.209   2.316
   88    H    CYS  15           H        CYS  15  -2.283   1.995   4.967
   89    HA   CYS  15           HA       CYS  15  -0.347   3.630   6.374
   90    HB2  CYS  15           HB2      CYS  15  -2.389   1.638   7.091
   91    HB3  CYS  15           HB1      CYS  15  -1.185   2.086   8.313
   92    H    GLY  16           H        GLY  16   0.973   2.291   8.104
   93    HA2  GLY  16           HA2      GLY  16   2.603   0.808   8.597
   94    HA3  GLY  16           HA1      GLY  16   1.823  -0.315   7.494
   95    H    SER  17           H        SER  17   3.289  -1.040   6.177
   96    HA   SER  17           HA       SER  17   5.166   0.834   4.930
   97    HB2  SER  17           HB2      SER  17   6.548  -1.312   4.612
   98    HB3  SER  17           HB1      SER  17   6.438  -0.666   6.249
   99    HG   SER  17           HG       SER  17   4.894  -2.818   5.175
  100    H    LEU  18           H        LEU  18   2.424   0.106   4.217
  101    HA   LEU  18           HA       LEU  18   2.578  -1.621   1.907
  102    HB2  LEU  18           HB2      LEU  18   0.345   0.117   2.898
  103    HB3  LEU  18           HB1      LEU  18   0.217  -1.147   1.690
  104    HG   LEU  18           HG       LEU  18   0.885  -1.566   4.596
  105   HD11  LEU  18          HD11      LEU  18  -1.348  -2.529   4.740
  106   HD12  LEU  18          HD12      LEU  18  -1.643  -2.077   3.061
  107   HD13  LEU  18          HD13      LEU  18  -1.399  -0.827   4.282
  108   HD21  LEU  18          HD21      LEU  18   0.517  -3.923   4.084
  109   HD22  LEU  18          HD22      LEU  18   1.883  -3.263   3.185
  110   HD23  LEU  18          HD23      LEU  18   0.334  -3.525   2.377
  111    H    CYS  19           H        CYS  19   2.277  -0.976  -0.185
  112    HA   CYS  19           HA       CYS  19   2.412   1.892  -0.734
  113    HB2  CYS  19           HB2      CYS  19   3.765  -0.368  -2.241
  114    HB3  CYS  19           HB1      CYS  19   3.804   1.336  -2.692
  115    H    CYS  20           H        CYS  20   1.602   2.289  -3.059
  116    HA   CYS  20           HA       CYS  20  -0.933   0.866  -3.193
  117    HB2  CYS  20           HB2      CYS  20  -0.981   3.313  -3.031
  118    HB3  CYS  20           HB1      CYS  20  -0.040   3.435  -4.509
  119    H    VAL  21           H        VAL  21  -1.111  -0.716  -4.535
  120    HA   VAL  21           HA       VAL  21  -0.027  -0.482  -7.238
  121    HB   VAL  21           HB       VAL  21   0.376  -3.017  -7.207
  122   HG11  VAL  21          HG11      VAL  21   2.574  -2.868  -6.135
  123   HG12  VAL  21          HG12      VAL  21   2.095  -1.350  -5.380
  124   HG13  VAL  21          3HG1      VAL  21   2.240  -1.452  -7.132
  125   HG21  VAL  21          HG21      VAL  21  -0.897  -3.565  -5.186
  126   HG22  VAL  21          HG22      VAL  21   0.226  -2.620  -4.210
  127   HG23  VAL  21          HG23      VAL  21   0.781  -4.084  -5.023
  128    H    GLY  22           H        GLY  22  -2.483   0.282  -6.537
  129    HA2  GLY  22           HA2      GLY  22  -4.616  -0.081  -7.534
  130    HA3  GLY  22           HA1      GLY  22  -4.233  -1.806  -7.628
  131    H    ILE  23           H        ILE  23  -3.371  -2.432  -5.336
  132    HA   ILE  23           HA       ILE  23  -5.313  -1.618  -3.302
  133    HB   ILE  23           HB       ILE  23  -5.071  -3.886  -2.310
  134   HG12  ILE  23          HG12      ILE  23  -3.610  -4.577  -4.875
  135   HG13  ILE  23          HG11      ILE  23  -2.857  -4.430  -3.294
  136   HG21  ILE  23          HG21      ILE  23  -6.993  -3.438  -3.705
  137   HG22  ILE  23          HG22      ILE  23  -6.465  -5.107  -3.927
  138   HG23  ILE  23          HG23      ILE  23  -6.083  -3.892  -5.146
  139   HD11  ILE  23          HD11      ILE  23  -3.206  -6.756  -3.925
  140   HD12  ILE  23          HD12      ILE  23  -4.941  -6.467  -4.068
  141   HD13  ILE  23          HD13      ILE  23  -4.147  -6.337  -2.497
  142    H    CYS  24           H        CYS  24  -4.391  -1.817  -1.123
  143    HA   CYS  24           HA       CYS  24  -1.642  -0.965  -1.100
  144    HB2  CYS  24           HB2      CYS  24  -3.547  -1.472   1.197
  145    HB3  CYS  24           HB1      CYS  24  -1.960  -0.722   1.333
  146    H    ALA  25           H        ALA  25   0.017  -2.247  -0.917
  147    HA   ALA  25           HA       ALA  25  -0.077  -4.692   0.616
  148    HB1  ALA  25           HB1      ALA  25  -0.894  -5.453  -1.568
  149    HB2  ALA  25           HB2      ALA  25   0.734  -6.066  -1.273
  150    HB3  ALA  25           HB3      ALA  25   0.490  -4.699  -2.359
  151    H    LYS  26           H        LYS  26   2.216  -5.621   0.659
  152    HA   LYS  26           HA       LYS  26   4.039  -3.366   0.699
  153    HB2  LYS  26           HB2      LYS  26   3.980  -4.922   2.655
  154    HB3  LYS  26           HB1      LYS  26   4.518  -6.225   1.601
  155    HG2  LYS  26           HG2      LYS  26   6.585  -4.970   1.134
  156    HG3  LYS  26           HG1      LYS  26   6.044  -3.711   2.234
  157    HD2  LYS  26           HD2      LYS  26   6.090  -5.272   4.090
  158    HD3  LYS  26           HD1      LYS  26   6.556  -6.580   2.998
  159    HE2  LYS  26           HE2      LYS  26   8.610  -5.357   2.428
  160    HE3  LYS  26           HE1      LYS  26   8.145  -4.075   3.540
  161    HZ1  LYS  26           HZ1      LYS  26   9.754  -5.626   4.483
  162    HZ2  LYS  26           HZ2      LYS  26   8.648  -6.889   4.313
  163    HZ3  LYS  26           HZ3      LYS  26   8.312  -5.617   5.362
  164    H    THR  27           H        THR  27   5.583  -3.076  -0.784
  165    HA   THR  27           HA       THR  27   5.550  -4.924  -3.010
  166    HB   THR  27           HB       THR  27   6.606  -2.840  -4.111
  167    HG1  THR  27           HG1      THR  27   6.896  -1.240  -2.739
  168   HG21  THR  27          HG21      THR  27   4.304  -3.615  -4.522
  169   HG22  THR  27          HG22      THR  27   4.373  -1.854  -4.437
  170   HG23  THR  27          HG23      THR  27   3.767  -2.781  -3.064
  171    H    ILE  28           H        ILE  28   7.699  -4.885  -4.281
  172    HA   ILE  28           HA       ILE  28   9.890  -5.634  -2.620
  173    HB   ILE  28           HB       ILE  28   9.744  -5.071  -5.607
  174   HG12  ILE  28          HG12      ILE  28   9.765  -7.700  -4.100
  175   HG13  ILE  28          HG11      ILE  28   8.361  -6.957  -4.856
  176   HG21  ILE  28          HG21      ILE  28  11.973  -6.346  -4.031
  177   HG22  ILE  28          HG22      ILE  28  12.028  -4.790  -4.860
  178   HG23  ILE  28          HG23      ILE  28  11.882  -6.281  -5.792
  179   HD11  ILE  28          HD11      ILE  28   9.258  -8.763  -6.215
  180   HD12  ILE  28          HD12      ILE  28  10.819  -7.944  -6.288
  181   HD13  ILE  28          HD13      ILE  28   9.403  -7.215  -7.047
  182    H    ALA  29           H        ALA  29   9.128  -2.919  -4.712
  183    HA   ALA  29           HA       ALA  29  11.406  -1.397  -3.825
  184    HB1  ALA  29           HB1      ALA  29   9.070  -0.625  -5.572
  185    HB2  ALA  29           HB2      ALA  29  10.633  -1.218  -6.139
  186    HB3  ALA  29           HB3      ALA  29  10.525   0.337  -5.310
  187    HA   PRO  30           HA       PRO  30   8.880  -0.014  -0.440
  188    HB2  PRO  30           HB2      PRO  30  10.798   1.306   0.906
  189    HB3  PRO  30           HB1      PRO  30  10.719  -0.457   0.864
  190    HG2  PRO  30           HG2      PRO  30  12.521   1.390  -0.612
  191    HG3  PRO  30           HG1      PRO  30  12.850  -0.223   0.036
  192    HD2  PRO  30           HD2      PRO  30  12.278   0.371  -2.620
  193    HD3  PRO  30           HD1      PRO  30  12.163  -1.232  -1.869
  194    H    CYS  31           H        CYS  31   7.487   1.620  -0.613
  195    HA   CYS  31           HA       CYS  31   8.298   4.108  -1.849
  196    HB2  CYS  31           HB2      CYS  31   5.895   4.696  -1.585
  197    HB3  CYS  31           HB1      CYS  31   6.120   3.173  -2.440
  198    H    LYS  32           H        LYS  32   7.859   2.705   1.242
  199    HA   LYS  32           HA       LYS  32   8.238   5.298   2.541
  200    HB2  LYS  32           HB2      LYS  32   6.791   2.833   3.602
  201    HB3  LYS  32           HB1      LYS  32   7.128   4.295   4.520
  202    HG2  LYS  32           HG2      LYS  32   5.672   5.550   3.093
  203    HG3  LYS  32           HG1      LYS  32   5.445   4.145   2.046
  204    HD2  LYS  32           HD2      LYS  32   4.427   2.927   3.908
  205    HD3  LYS  32           HD1      LYS  32   4.660   4.335   4.948
  206    HE2  LYS  32           HE2      LYS  32   2.385   4.189   4.113
  207    HE3  LYS  32           HE1      LYS  32   3.217   5.643   3.545
  208    HZ1  LYS  32           HZ1      LYS  32   2.829   3.159   1.956
  209    HZ2  LYS  32           HZ2      LYS  32   3.579   4.582   1.430
  210    HZ3  LYS  32           HZ3      LYS  32   1.939   4.581   1.788
  Start of MODEL   17
    1    H1   CYS   1           HT1      CYS   1  -6.034   5.548   7.732
    2    H2   CYS   1           HT2      CYS   1  -6.401   3.918   7.979
    3    H3   CYS   1           HT3      CYS   1  -7.384   4.861   6.992
    4    HA   CYS   1           HA       CYS   1  -5.668   5.103   5.396
    5    HB2  CYS   1           HB2      CYS   1  -3.613   3.681   5.719
    6    HB3  CYS   1           HB1      CYS   1  -3.728   5.045   6.823
    7    H    ALA   2           H        ALA   2  -5.257   3.327   3.803
    8    HA   ALA   2           HA       ALA   2  -7.293   1.284   4.092
    9    HB1  ALA   2           HB1      ALA   2  -5.465   1.946   1.775
   10    HB2  ALA   2           HB2      ALA   2  -7.118   2.522   1.976
   11    HB3  ALA   2           HB3      ALA   2  -6.808   0.803   1.729
   12    H    VAL   3           H        VAL   3  -6.877  -0.811   4.470
   13    HA   VAL   3           HA       VAL   3  -4.146  -1.444   5.261
   14    HB   VAL   3           HB       VAL   3  -5.034  -3.437   6.322
   15   HG11  VAL   3          HG11      VAL   3  -6.739  -1.038   6.929
   16   HG12  VAL   3          HG12      VAL   3  -5.155  -1.407   7.610
   17   HG13  VAL   3          3HG1      VAL   3  -6.537  -2.441   7.979
   18   HG21  VAL   3          HG21      VAL   3  -7.685  -2.672   5.105
   19   HG22  VAL   3          HG22      VAL   3  -7.467  -3.950   6.308
   20   HG23  VAL   3          HG23      VAL   3  -6.723  -4.091   4.711
   21    H    THR   4           H        THR   4  -3.805  -4.039   4.898
   22    HA   THR   4           HA       THR   4  -3.004  -4.379   2.292
   23    HB   THR   4           HB       THR   4  -3.812  -6.634   4.120
   24    HG1  THR   4           HG1      THR   4  -2.480  -5.896   5.541
   25   HG21  THR   4          HG21      THR   4  -2.923  -7.215   1.912
   26   HG22  THR   4          HG22      THR   4  -1.767  -7.663   3.174
   27   HG23  THR   4          HG23      THR   4  -1.511  -6.206   2.210
   28    H    HIS   5           H        HIS   5  -4.064  -4.975   0.498
   29    HA   HIS   5           HA       HIS   5  -5.518  -5.890  -0.956
   30    HB2  HIS   5           HB2      HIS   5  -6.979  -7.033   1.427
   31    HB3  HIS   5           HB1      HIS   5  -7.465  -7.304  -0.238
   32    HD1  HIS   5           HD1      HIS   5  -6.137  -9.255   2.168
   33    HD2  HIS   5           HD2      HIS   5  -4.677  -8.149  -1.550
   34    HE1  HIS   5           HE1      HIS   5  -4.470 -11.036   1.513
   35    H    GLU   6           H        GLU   6  -6.326  -3.462   1.163
   36    HA   GLU   6           HA       GLU   6  -8.893  -3.005  -0.084
   37    HB2  GLU   6           HB2      GLU   6  -7.278  -1.392   1.889
   38    HB3  GLU   6           HB1      GLU   6  -8.758  -0.766   1.154
   39    HG2  GLU   6           HG2      GLU   6  -9.895  -2.778   2.135
   40    HG3  GLU   6           HG1      GLU   6  -8.391  -3.094   3.006
   41    H    LYS   7           H        LYS   7  -9.287  -0.995  -1.266
   42    HA   LYS   7           HA       LYS   7  -7.254  -0.682  -3.263
   43    HB2  LYS   7           HB2      LYS   7  -9.924   0.659  -2.908
   44    HB3  LYS   7           HB1      LYS   7  -8.861   0.933  -4.281
   45    HG2  LYS   7           HG2      LYS   7  -9.023  -1.401  -4.915
   46    HG3  LYS   7           HG1      LYS   7 -10.029  -1.731  -3.508
   47    HD2  LYS   7           HD2      LYS   7 -10.736   0.179  -5.724
   48    HD3  LYS   7           HD1      LYS   7 -11.324  -1.477  -5.620
   49    HE2  LYS   7           HE2      LYS   7 -11.834   0.750  -3.639
   50    HE3  LYS   7           HE1      LYS   7 -12.994   0.085  -4.778
   51    HZ1  LYS   7           HZ1      LYS   7 -11.772  -1.331  -2.476
   52    HZ2  LYS   7           HZ2      LYS   7 -12.747  -2.075  -3.610
   53    HZ3  LYS   7           HZ3      LYS   7 -13.374  -0.862  -2.631
   54    H    CYS   8           H        CYS   8  -6.226   1.236  -3.808
   55    HA   CYS   8           HA       CYS   8  -5.839   2.952  -1.454
   56    HB2  CYS   8           HB2      CYS   8  -3.521   3.206  -2.426
   57    HB3  CYS   8           HB1      CYS   8  -3.930   1.642  -1.727
   58    H    SER   9           H        SER   9  -5.960   5.094  -1.687
   59    HA   SER   9           HA       SER   9  -6.557   6.204  -4.288
   60    HB2  SER   9           HB2      SER   9  -6.187   7.583  -1.608
   61    HB3  SER   9           HB1      SER   9  -6.930   8.281  -3.048
   62    HG   SER   9           HG       SER   9  -7.901   6.364  -1.268
   63    H    ASP  10           H        ASP  10  -3.927   5.780  -2.108
   64    HA   ASP  10           HA       ASP  10  -1.996   6.605  -4.000
   65    HB2  ASP  10           HB2      ASP  10  -2.683   8.826  -2.943
   66    HB3  ASP  10           HB1      ASP  10  -2.111   8.186  -1.405
   67    H    ASP  11           H        ASP  11   0.214   6.343  -2.859
   68    HA   ASP  11           HA       ASP  11   0.335   3.791  -1.605
   69    HB2  ASP  11           HB2      ASP  11   2.476   5.925  -1.747
   70    HB3  ASP  11           HB1      ASP  11   2.724   4.215  -1.430
   71    H    TYR  12           H        TYR  12   0.579   7.131  -0.554
   72    HA   TYR  12           HA       TYR  12   1.198   6.411   2.162
   73    HB2  TYR  12           HB2      TYR  12   0.639   9.064   0.840
   74    HB3  TYR  12           HB1      TYR  12   0.990   8.894   2.557
   75    HD1  TYR  12           HD1      TYR  12   2.401   8.444  -0.838
   76    HD2  TYR  12           HD2      TYR  12   3.209   8.593   3.324
   77    HE1  TYR  12           HE1      TYR  12   4.812   8.531  -1.318
   78    HE2  TYR  12           HE2      TYR  12   5.624   8.682   2.859
   79    HH   TYR  12           HH       TYR  12   6.826   9.244  -0.280
   80    H    ASP  13           H        ASP  13  -1.497   6.261   0.452
   81    HA   ASP  13           HA       ASP  13  -3.375   7.024   2.539
   82    HB2  ASP  13           HB2      ASP  13  -3.984   7.483   0.222
   83    HB3  ASP  13           HB1      ASP  13  -3.690   5.811  -0.217
   84    H    CYS  14           H        CYS  14  -1.548   4.395   1.483
   85    HA   CYS  14           HA       CYS  14  -3.159   2.349   2.729
   86    HB2  CYS  14           HB2      CYS  14  -0.388   2.244   1.531
   87    HB3  CYS  14           HB1      CYS  14  -1.352   0.863   2.044
   88    H    CYS  15           H        CYS  15  -2.581   1.262   4.577
   89    HA   CYS  15           HA       CYS  15  -1.405   2.748   6.631
   90    HB2  CYS  15           HB2      CYS  15  -1.985  -0.208   6.528
   91    HB3  CYS  15           HB1      CYS  15  -1.671   0.728   7.985
   92    H    GLY  16           H        GLY  16   0.470   2.448   7.801
   93    HA2  GLY  16           HA2      GLY  16   2.654   1.983   8.248
   94    HA3  GLY  16           HA1      GLY  16   2.299   0.388   7.614
   95    H    SER  17           H        SER  17   3.700  -0.217   6.147
   96    HA   SER  17           HA       SER  17   5.052   1.819   4.570
   97    HB2  SER  17           HB2      SER  17   6.738  -0.016   4.239
   98    HB3  SER  17           HB1      SER  17   6.552   0.524   5.908
   99    HG   SER  17           HG       SER  17   5.849  -1.386   6.439
  100    H    LEU  18           H        LEU  18   2.392   0.100   4.193
  101    HA   LEU  18           HA       LEU  18   2.778  -1.426   1.832
  102    HB2  LEU  18           HB2      LEU  18   0.288  -0.074   2.852
  103    HB3  LEU  18           HB1      LEU  18   0.326  -1.273   1.577
  104    HG   LEU  18           HG       LEU  18   1.014  -1.739   4.480
  105   HD11  LEU  18          HD11      LEU  18  -1.354  -1.354   4.119
  106   HD12  LEU  18          HD12      LEU  18  -1.052  -3.054   4.491
  107   HD13  LEU  18          HD13      LEU  18  -1.361  -2.554   2.827
  108   HD21  LEU  18          HD21      LEU  18   2.301  -3.202   3.034
  109   HD22  LEU  18          HD22      LEU  18   0.841  -3.648   2.153
  110   HD23  LEU  18          HD23      LEU  18   1.027  -4.118   3.842
  111    H    CYS  19           H        CYS  19   2.188  -0.904  -0.306
  112    HA   CYS  19           HA       CYS  19   2.171   1.953  -0.885
  113    HB2  CYS  19           HB2      CYS  19   3.653  -0.245  -2.353
  114    HB3  CYS  19           HB1      CYS  19   3.519   1.423  -2.906
  115    H    CYS  20           H        CYS  20   1.450   2.215  -3.309
  116    HA   CYS  20           HA       CYS  20  -1.109   0.837  -3.363
  117    HB2  CYS  20           HB2      CYS  20  -1.122   3.279  -3.190
  118    HB3  CYS  20           HB1      CYS  20  -0.218   3.391  -4.692
  119    H    VAL  21           H        VAL  21  -1.309  -0.736  -4.710
  120    HA   VAL  21           HA       VAL  21  -0.205  -0.508  -7.418
  121    HB   VAL  21           HB       VAL  21   0.109  -3.018  -7.427
  122   HG11  VAL  21          HG11      VAL  21   2.044  -1.591  -7.083
  123   HG12  VAL  21          HG12      VAL  21   2.197  -3.079  -6.148
  124   HG13  VAL  21          3HG1      VAL  21   1.739  -1.577  -5.346
  125   HG21  VAL  21          HG21      VAL  21  -1.380  -3.610  -5.580
  126   HG22  VAL  21          HG22      VAL  21  -0.308  -2.793  -4.443
  127   HG23  VAL  21          HG23      VAL  21   0.245  -4.235  -5.295
  128    H    GLY  22           H        GLY  22  -2.645   0.343  -6.470
  129    HA2  GLY  22           HA2      GLY  22  -4.812   0.233  -7.434
  130    HA3  GLY  22           HA1      GLY  22  -4.548  -1.487  -7.779
  131    H    ILE  23           H        ILE  23  -3.585  -2.394  -5.585
  132    HA   ILE  23           HA       ILE  23  -5.487  -1.793  -3.438
  133    HB   ILE  23           HB       ILE  23  -5.092  -4.101  -2.603
  134   HG12  ILE  23          HG12      ILE  23  -3.623  -4.547  -5.223
  135   HG13  ILE  23          HG11      ILE  23  -2.859  -4.439  -3.645
  136   HG21  ILE  23          HG21      ILE  23  -6.429  -5.295  -4.281
  137   HG22  ILE  23          HG22      ILE  23  -6.123  -3.991  -5.429
  138   HG23  ILE  23          HG23      ILE  23  -7.047  -3.672  -3.962
  139   HD11  ILE  23          HD11      ILE  23  -4.813  -6.555  -4.525
  140   HD12  ILE  23          HD12      ILE  23  -4.042  -6.459  -2.941
  141   HD13  ILE  23          HD13      ILE  23  -3.065  -6.746  -4.381
  142    H    CYS  24           H        CYS  24  -4.531  -1.982  -1.310
  143    HA   CYS  24           HA       CYS  24  -1.840  -1.020  -1.254
  144    HB2  CYS  24           HB2      CYS  24  -3.743  -1.722   0.976
  145    HB3  CYS  24           HB1      CYS  24  -2.167  -0.971   1.199
  146    H    ALA  25           H        ALA  25  -0.156  -2.222  -1.290
  147    HA   ALA  25           HA       ALA  25  -0.068  -4.755   0.102
  148    HB1  ALA  25           HB1      ALA  25   0.845  -5.914  -1.872
  149    HB2  ALA  25           HB2      ALA  25   0.531  -4.481  -2.851
  150    HB3  ALA  25           HB3      ALA  25  -0.813  -5.380  -2.148
  151    H    LYS  26           H        LYS  26   2.211  -5.497   0.164
  152    HA   LYS  26           HA       LYS  26   3.921  -3.168   0.406
  153    HB2  LYS  26           HB2      LYS  26   3.678  -4.722   2.336
  154    HB3  LYS  26           HB1      LYS  26   4.365  -6.005   1.359
  155    HG2  LYS  26           HG2      LYS  26   6.004  -5.074   2.897
  156    HG3  LYS  26           HG1      LYS  26   6.473  -4.794   1.219
  157    HD2  LYS  26           HD2      LYS  26   5.655  -2.500   1.365
  158    HD3  LYS  26           HD1      LYS  26   5.121  -2.782   3.022
  159    HE2  LYS  26           HE2      LYS  26   7.965  -2.974   2.053
  160    HE3  LYS  26           HE1      LYS  26   7.278  -1.572   2.861
  161    HZ1  LYS  26           HZ1      LYS  26   6.875  -2.930   4.816
  162    HZ2  LYS  26           HZ2      LYS  26   8.503  -2.972   4.408
  163    HZ3  LYS  26           HZ3      LYS  26   7.522  -4.293   4.067
  164    H    THR  27           H        THR  27   5.220  -2.682  -1.232
  165    HA   THR  27           HA       THR  27   5.745  -4.508  -3.342
  166    HB   THR  27           HB       THR  27   7.134  -2.504  -4.115
  167    HG1  THR  27           HG1      THR  27   7.415  -1.009  -2.671
  168   HG21  THR  27          HG21      THR  27   4.197  -2.115  -3.498
  169   HG22  THR  27          HG22      THR  27   4.855  -2.918  -4.924
  170   HG23  THR  27          HG23      THR  27   5.124  -1.192  -4.678
  171    H    ILE  28           H        ILE  28   7.984  -4.950  -4.068
  172    HA   ILE  28           HA       ILE  28   9.641  -6.039  -2.092
  173    HB   ILE  28           HB       ILE  28  10.518  -5.104  -4.851
  174   HG12  ILE  28          HG12      ILE  28   9.460  -7.817  -4.005
  175   HG13  ILE  28          HG11      ILE  28   8.566  -6.636  -4.956
  176   HG21  ILE  28          HG21      ILE  28  12.255  -6.847  -4.626
  177   HG22  ILE  28          HG22      ILE  28  11.699  -7.170  -2.984
  178   HG23  ILE  28          HG23      ILE  28  12.397  -5.601  -3.386
  179   HD11  ILE  28          HD11      ILE  28  10.201  -6.842  -6.755
  180   HD12  ILE  28          HD12      ILE  28   9.501  -8.410  -6.352
  181   HD13  ILE  28          HD13      ILE  28  11.120  -7.996  -5.793
  182    H    ALA  29           H        ALA  29  10.064  -3.084  -3.981
  183    HA   ALA  29           HA       ALA  29  11.866  -2.079  -1.926
  184    HB1  ALA  29           HB1      ALA  29  12.402  -0.309  -3.544
  185    HB2  ALA  29           HB2      ALA  29  11.216  -0.973  -4.664
  186    HB3  ALA  29           HB3      ALA  29  12.655  -1.906  -4.249
  187    HA   PRO  30           HA       PRO  30   8.191  -0.076  -0.267
  188    HB2  PRO  30           HB2      PRO  30  10.274   1.390   1.256
  189    HB3  PRO  30           HB1      PRO  30   8.846   0.520   1.832
  190    HG2  PRO  30           HG2      PRO  30  11.280  -0.514   2.134
  191    HG3  PRO  30           HG1      PRO  30   9.882  -1.531   1.740
  192    HD2  PRO  30           HD2      PRO  30  12.089  -0.581  -0.032
  193    HD3  PRO  30           HD1      PRO  30  11.245  -2.141  -0.000
  194    H    CYS  31           H        CYS  31   7.203   1.855  -0.643
  195    HA   CYS  31           HA       CYS  31   8.589   3.784  -2.325
  196    HB2  CYS  31           HB2      CYS  31   6.288   4.615  -2.703
  197    HB3  CYS  31           HB1      CYS  31   6.453   2.898  -3.079
  198    H    LYS  32           H        LYS  32   8.277   3.312   0.857
  199    HA   LYS  32           HA       LYS  32   7.853   6.128   1.479
  200    HB2  LYS  32           HB2      LYS  32   7.087   3.664   3.024
  201    HB3  LYS  32           HB1      LYS  32   7.067   5.285   3.713
  202    HG2  LYS  32           HG2      LYS  32   5.355   5.980   2.261
  203    HG3  LYS  32           HG1      LYS  32   5.550   4.557   1.237
  204    HD2  LYS  32           HD2      LYS  32   4.712   3.134   2.952
  205    HD3  LYS  32           HD1      LYS  32   4.680   4.468   4.113
  206    HE2  LYS  32           HE2      LYS  32   2.978   5.574   2.871
  207    HE3  LYS  32           HE1      LYS  32   3.104   4.407   1.557
  208    HZ1  LYS  32           HZ1      LYS  32   2.355   3.606   4.302
  209    HZ2  LYS  32           HZ2      LYS  32   2.150   2.754   2.825
  210    HZ3  LYS  32           HZ3      LYS  32   1.218   4.109   3.166
  Start of MODEL   18
    1    H1   CYS   1           HT1      CYS   1  -6.206   4.704   7.787
    2    H2   CYS   1           HT2      CYS   1  -7.132   5.458   6.591
    3    H3   CYS   1           HT3      CYS   1  -5.701   6.190   7.157
    4    HA   CYS   1           HA       CYS   1  -5.391   5.182   5.016
    5    HB2  CYS   1           HB2      CYS   1  -3.412   3.834   5.634
    6    HB3  CYS   1           HB1      CYS   1  -3.488   5.332   6.547
    7    H    ALA   2           H        ALA   2  -5.216   3.234   3.795
    8    HA   ALA   2           HA       ALA   2  -7.239   1.269   4.504
    9    HB1  ALA   2           HB1      ALA   2  -7.328   2.334   2.297
   10    HB2  ALA   2           HB2      ALA   2  -7.062   0.596   2.163
   11    HB3  ALA   2           HB3      ALA   2  -5.716   1.715   1.935
   12    H    VAL   3           H        VAL   3  -6.801  -0.945   4.541
   13    HA   VAL   3           HA       VAL   3  -4.056  -1.601   5.295
   14    HB   VAL   3           HB       VAL   3  -4.981  -3.738   6.107
   15   HG11  VAL   3          HG11      VAL   3  -6.556  -1.363   7.060
   16   HG12  VAL   3          HG12      VAL   3  -4.953  -1.832   7.616
   17   HG13  VAL   3          3HG1      VAL   3  -6.338  -2.878   7.936
   18   HG21  VAL   3          HG21      VAL   3  -7.620  -2.670   5.112
   19   HG22  VAL   3          HG22      VAL   3  -7.432  -4.110   6.112
   20   HG23  VAL   3          HG23      VAL   3  -6.755  -4.064   4.479
   21    H    THR   4           H        THR   4  -3.584  -4.076   4.680
   22    HA   THR   4           HA       THR   4  -3.034  -4.177   1.958
   23    HB   THR   4           HB       THR   4  -3.272  -6.508   3.900
   24    HG1  THR   4           HG1      THR   4  -1.719  -5.339   4.789
   25   HG21  THR   4          HG21      THR   4  -1.661  -7.632   2.407
   26   HG22  THR   4          HG22      THR   4  -1.706  -6.239   1.323
   27   HG23  THR   4          HG23      THR   4  -3.150  -7.225   1.549
   28    H    HIS   5           H        HIS   5  -4.108  -4.939   0.265
   29    HA   HIS   5           HA       HIS   5  -5.562  -6.001  -1.068
   30    HB2  HIS   5           HB2      HIS   5  -6.983  -7.025   1.405
   31    HB3  HIS   5           HB1      HIS   5  -7.474  -7.412  -0.240
   32    HD1  HIS   5           HD1      HIS   5  -5.985  -9.160   2.296
   33    HD2  HIS   5           HD2      HIS   5  -4.725  -8.272  -1.558
   34    HE1  HIS   5           HE1      HIS   5  -4.227 -10.871   1.721
   35    H    GLU   6           H        GLU   6  -6.451  -3.638   1.139
   36    HA   GLU   6           HA       GLU   6  -8.952  -3.024  -0.122
   37    HB2  GLU   6           HB2      GLU   6  -7.145  -1.532   1.743
   38    HB3  GLU   6           HB1      GLU   6  -8.502  -0.723   0.964
   39    HG2  GLU   6           HG2      GLU   6  -9.925  -2.520   2.042
   40    HG3  GLU   6           HG1      GLU   6  -8.482  -2.945   2.967
   41    H    LYS   7           H        LYS   7  -9.338  -1.426  -1.676
   42    HA   LYS   7           HA       LYS   7  -7.387  -0.950  -3.628
   43    HB2  LYS   7           HB2      LYS   7  -9.976  -0.910  -3.718
   44    HB3  LYS   7           HB1      LYS   7  -9.856   0.713  -3.076
   45    HG2  LYS   7           HG2      LYS   7  -8.635  -0.192  -5.661
   46    HG3  LYS   7           HG1      LYS   7 -10.241   0.510  -5.524
   47    HD2  LYS   7           HD2      LYS   7  -9.178   2.558  -4.572
   48    HD3  LYS   7           HD1      LYS   7  -7.602   1.834  -4.894
   49    HE2  LYS   7           HE2      LYS   7  -8.119   3.312  -6.706
   50    HE3  LYS   7           HE1      LYS   7  -8.251   1.657  -7.288
   51    HZ1  LYS   7           HZ1      LYS   7 -10.096   2.946  -8.072
   52    HZ2  LYS   7           HZ2      LYS   7 -10.491   3.446  -6.529
   53    HZ3  LYS   7           HZ3      LYS   7 -10.697   1.822  -6.969
   54    H    CYS   8           H        CYS   8  -6.155   1.009  -3.990
   55    HA   CYS   8           HA       CYS   8  -5.874   2.642  -1.562
   56    HB2  CYS   8           HB2      CYS   8  -3.515   2.922  -2.305
   57    HB3  CYS   8           HB1      CYS   8  -3.947   1.273  -1.871
   58    H    SER   9           H        SER   9  -5.932   4.830  -1.750
   59    HA   SER   9           HA       SER   9  -6.437   5.908  -4.398
   60    HB2  SER   9           HB2      SER   9  -6.502   7.241  -1.679
   61    HB3  SER   9           HB1      SER   9  -7.055   7.959  -3.193
   62    HG   SER   9           HG       SER   9  -8.075   5.514  -2.212
   63    H    ASP  10           H        ASP  10  -3.863   5.476  -2.210
   64    HA   ASP  10           HA       ASP  10  -1.901   6.596  -3.873
   65    HB2  ASP  10           HB2      ASP  10  -2.920   8.732  -2.849
   66    HB3  ASP  10           HB1      ASP  10  -2.368   8.141  -1.289
   67    H    ASP  11           H        ASP  11   0.236   6.509  -2.546
   68    HA   ASP  11           HA       ASP  11   0.389   4.005  -1.156
   69    HB2  ASP  11           HB2      ASP  11   2.452   6.223  -1.232
   70    HB3  ASP  11           HB1      ASP  11   2.733   4.548  -0.790
   71    H    TYR  12           H        TYR  12   0.302   7.403  -0.346
   72    HA   TYR  12           HA       TYR  12   0.833   6.951   2.435
   73    HB2  TYR  12           HB2      TYR  12  -0.101   9.428   0.981
   74    HB3  TYR  12           HB1      TYR  12   0.334   9.374   2.686
   75    HD1  TYR  12           HD1      TYR  12   1.542   9.758  -0.651
   76    HD2  TYR  12           HD2      TYR  12   2.718   8.672   3.279
   77    HE1  TYR  12           HE1      TYR  12   3.888  10.157  -1.258
   78    HE2  TYR  12           HE2      TYR  12   5.063   9.066   2.692
   79    HH   TYR  12           HH       TYR  12   5.975  10.685  -0.173
   80    H    ASP  13           H        ASP  13  -1.801   6.523   0.516
   81    HA   ASP  13           HA       ASP  13  -3.788   7.023   2.568
   82    HB2  ASP  13           HB2      ASP  13  -4.457   7.492   0.281
   83    HB3  ASP  13           HB1      ASP  13  -3.942   5.903  -0.249
   84    H    CYS  14           H        CYS  14  -1.609   4.633   1.680
   85    HA   CYS  14           HA       CYS  14  -3.154   2.453   2.849
   86    HB2  CYS  14           HB2      CYS  14  -0.419   2.454   1.553
   87    HB3  CYS  14           HB1      CYS  14  -1.310   1.033   2.096
   88    H    CYS  15           H        CYS  15  -2.540   1.421   4.714
   89    HA   CYS  15           HA       CYS  15  -1.268   2.973   6.709
   90    HB2  CYS  15           HB2      CYS  15  -2.028   0.053   6.727
   91    HB3  CYS  15           HB1      CYS  15  -1.617   1.016   8.137
   92    H    GLY  16           H        GLY  16   0.637   2.642   7.799
   93    HA2  GLY  16           HA2      GLY  16   2.779   2.079   8.200
   94    HA3  GLY  16           HA1      GLY  16   2.322   0.468   7.700
   95    H    SER  17           H        SER  17   3.723  -0.283   6.318
   96    HA   SER  17           HA       SER  17   5.261   1.542   4.693
   97    HB2  SER  17           HB2      SER  17   6.561  -0.638   4.322
   98    HB3  SER  17           HB1      SER  17   6.598   0.090   5.931
   99    HG   SER  17           HG       SER  17   6.168  -2.022   6.213
  100    H    LEU  18           H        LEU  18   2.411   0.073   4.283
  101    HA   LEU  18           HA       LEU  18   2.669  -1.393   1.877
  102    HB2  LEU  18           HB2      LEU  18   0.297   0.101   2.948
  103    HB3  LEU  18           HB1      LEU  18   0.246  -1.082   1.656
  104    HG   LEU  18           HG       LEU  18   0.935  -1.613   4.539
  105   HD11  LEU  18          HD11      LEU  18  -1.186  -2.820   4.559
  106   HD12  LEU  18          HD12      LEU  18  -1.482  -2.308   2.899
  107   HD13  LEU  18          HD13      LEU  18  -1.409  -1.108   4.191
  108   HD21  LEU  18          HD21      LEU  18   2.153  -3.118   3.076
  109   HD22  LEU  18          HD22      LEU  18   0.669  -3.488   2.197
  110   HD23  LEU  18          HD23      LEU  18   0.838  -3.974   3.883
  111    H    CYS  19           H        CYS  19   2.202  -0.820  -0.216
  112    HA   CYS  19           HA       CYS  19   2.252   2.045  -0.784
  113    HB2  CYS  19           HB2      CYS  19   3.659  -0.180  -2.291
  114    HB3  CYS  19           HB1      CYS  19   3.623   1.516  -2.766
  115    H    CYS  20           H        CYS  20   1.401   2.459  -3.012
  116    HA   CYS  20           HA       CYS  20  -1.120   1.041  -3.211
  117    HB2  CYS  20           HB2      CYS  20  -0.947   3.546  -3.174
  118    HB3  CYS  20           HB1      CYS  20  -0.106   3.459  -4.713
  119    H    VAL  21           H        VAL  21  -1.257  -0.623  -4.514
  120    HA   VAL  21           HA       VAL  21   0.301  -0.719  -7.031
  121    HB   VAL  21           HB       VAL  21  -0.404  -3.174  -5.402
  122   HG11  VAL  21          HG11      VAL  21   0.284  -3.600  -7.651
  123   HG12  VAL  21          HG12      VAL  21   1.525  -4.187  -6.540
  124   HG13  VAL  21          3HG1      VAL  21   1.767  -2.675  -7.413
  125   HG21  VAL  21          HG21      VAL  21   0.879  -1.815  -3.846
  126   HG22  VAL  21          HG22      VAL  21   2.153  -1.612  -5.048
  127   HG23  VAL  21          HG23      VAL  21   1.828  -3.207  -4.370
  128    H    GLY  22           H        GLY  22  -2.305   0.278  -6.575
  129    HA2  GLY  22           HA2      GLY  22  -4.342   0.023  -7.742
  130    HA3  GLY  22           HA1      GLY  22  -4.041  -1.721  -7.858
  131    H    ILE  23           H        ILE  23  -3.337  -2.357  -5.491
  132    HA   ILE  23           HA       ILE  23  -5.380  -1.508  -3.583
  133    HB   ILE  23           HB       ILE  23  -5.254  -3.803  -2.604
  134   HG12  ILE  23          HG12      ILE  23  -3.690  -4.502  -5.107
  135   HG13  ILE  23          HG11      ILE  23  -3.018  -4.410  -3.486
  136   HG21  ILE  23          HG21      ILE  23  -7.095  -3.284  -4.078
  137   HG22  ILE  23          HG22      ILE  23  -6.598  -4.961  -4.309
  138   HG23  ILE  23          HG23      ILE  23  -6.132  -3.733  -5.485
  139   HD11  ILE  23          HD11      ILE  23  -4.417  -6.287  -2.799
  140   HD12  ILE  23          HD12      ILE  23  -3.414  -6.713  -4.186
  141   HD13  ILE  23          HD13      ILE  23  -5.125  -6.354  -4.413
  142    H    CYS  24           H        CYS  24  -4.564  -1.664  -1.368
  143    HA   CYS  24           HA       CYS  24  -1.845  -0.840  -1.160
  144    HB2  CYS  24           HB2      CYS  24  -3.843  -1.599   0.982
  145    HB3  CYS  24           HB1      CYS  24  -2.268  -0.881   1.287
  146    H    ALA  25           H        ALA  25  -0.206  -2.135  -1.203
  147    HA   ALA  25           HA       ALA  25  -0.325  -4.705   0.113
  148    HB1  ALA  25           HB1      ALA  25   0.553  -5.885  -1.855
  149    HB2  ALA  25           HB2      ALA  25   0.389  -4.411  -2.810
  150    HB3  ALA  25           HB3      ALA  25  -1.047  -5.212  -2.173
  151    H    LYS  26           H        LYS  26   1.861  -5.662   0.095
  152    HA   LYS  26           HA       LYS  26   3.795  -3.561   0.564
  153    HB2  LYS  26           HB2      LYS  26   3.433  -5.272   2.298
  154    HB3  LYS  26           HB1      LYS  26   3.874  -6.524   1.151
  155    HG2  LYS  26           HG2      LYS  26   6.146  -5.765   1.097
  156    HG3  LYS  26           HG1      LYS  26   5.735  -4.339   2.049
  157    HD2  LYS  26           HD2      LYS  26   6.820  -6.038   3.441
  158    HD3  LYS  26           HD1      LYS  26   5.162  -5.752   3.953
  159    HE2  LYS  26           HE2      LYS  26   5.630  -8.125   4.003
  160    HE3  LYS  26           HE1      LYS  26   4.466  -7.783   2.732
  161    HZ1  LYS  26           HZ1      LYS  26   6.246  -7.937   1.107
  162    HZ2  LYS  26           HZ2      LYS  26   6.135  -9.338   2.026
  163    HZ3  LYS  26           HZ3      LYS  26   7.367  -8.227   2.343
  164    H    THR  27           H        THR  27   5.294  -3.083  -0.879
  165    HA   THR  27           HA       THR  27   5.600  -4.722  -3.230
  166    HB   THR  27           HB       THR  27   6.968  -2.660  -3.926
  167    HG1  THR  27           HG1      THR  27   7.121  -1.112  -2.551
  168   HG21  THR  27          HG21      THR  27   4.024  -2.353  -3.316
  169   HG22  THR  27          HG22      THR  27   4.703  -3.108  -4.759
  170   HG23  THR  27          HG23      THR  27   4.941  -1.384  -4.469
  171    H    ILE  28           H        ILE  28   7.800  -5.059  -4.074
  172    HA   ILE  28           HA       ILE  28   9.568  -6.056  -2.059
  173    HB   ILE  28           HB       ILE  28  10.232  -5.640  -5.003
  174   HG12  ILE  28          HG12      ILE  28   8.945  -8.064  -3.737
  175   HG13  ILE  28          HG11      ILE  28   8.075  -6.893  -4.721
  176   HG21  ILE  28          HG21      ILE  28  12.097  -6.226  -3.503
  177   HG22  ILE  28          HG22      ILE  28  11.749  -7.528  -4.639
  178   HG23  ILE  28          HG23      ILE  28  11.211  -7.652  -2.965
  179   HD11  ILE  28          HD11      ILE  28   9.490  -7.491  -6.635
  180   HD12  ILE  28          HD12      ILE  28   8.619  -8.885  -5.996
  181   HD13  ILE  28          HD13      ILE  28  10.332  -8.670  -5.631
  182    H    ALA  29           H        ALA  29   9.335  -3.256  -4.102
  183    HA   ALA  29           HA       ALA  29  11.685  -2.058  -2.837
  184    HB1  ALA  29           HB1      ALA  29  10.115  -1.191  -5.274
  185    HB2  ALA  29           HB2      ALA  29  11.676  -2.012  -5.285
  186    HB3  ALA  29           HB3      ALA  29  11.544  -0.377  -4.635
  187    HA   PRO  30           HA       PRO  30   8.564  -0.022  -0.241
  188    HB2  PRO  30           HB2      PRO  30  10.959   1.473   0.675
  189    HB3  PRO  30           HB1      PRO  30   9.780   0.563   1.624
  190    HG2  PRO  30           HG2      PRO  30  12.219  -0.408   1.236
  191    HG3  PRO  30           HG1      PRO  30  10.802  -1.472   1.189
  192    HD2  PRO  30           HD2      PRO  30  12.382  -0.333  -1.090
  193    HD3  PRO  30           HD1      PRO  30  11.744  -1.976  -0.856
  194    H    CYS  31           H        CYS  31   7.543   1.948  -0.323
  195    HA   CYS  31           HA       CYS  31   8.576   3.857  -2.296
  196    HB2  CYS  31           HB2      CYS  31   6.213   4.614  -2.430
  197    HB3  CYS  31           HB1      CYS  31   6.413   2.917  -2.861
  198    H    LYS  32           H        LYS  32   8.137   3.379   1.010
  199    HA   LYS  32           HA       LYS  32   8.118   6.270   1.524
  200    HB2  LYS  32           HB2      LYS  32   7.160   4.037   3.324
  201    HB3  LYS  32           HB1      LYS  32   7.098   5.750   3.686
  202    HG2  LYS  32           HG2      LYS  32   5.480   6.091   1.931
  203    HG3  LYS  32           HG1      LYS  32   5.610   4.396   1.454
  204    HD2  LYS  32           HD2      LYS  32   4.844   3.759   3.729
  205    HD3  LYS  32           HD1      LYS  32   4.587   5.470   4.075
  206    HE2  LYS  32           HE2      LYS  32   2.994   5.611   2.249
  207    HE3  LYS  32           HE1      LYS  32   3.275   3.916   1.859
  208    HZ1  LYS  32           HZ1      LYS  32   2.075   4.971   4.359
  209    HZ2  LYS  32           HZ2      LYS  32   2.477   3.378   4.118
  210    HZ3  LYS  32           HZ3      LYS  32   1.285   4.092   3.150
  Start of MODEL   19
    1    H1   CYS   1           HT1      CYS   1  -6.084   6.024   7.390
    2    H2   CYS   1           HT2      CYS   1  -6.104   4.387   7.826
    3    H3   CYS   1           HT3      CYS   1  -7.401   5.039   6.982
    4    HA   CYS   1           HA       CYS   1  -6.079   5.341   5.083
    5    HB2  CYS   1           HB2      CYS   1  -3.747   4.283   5.139
    6    HB3  CYS   1           HB1      CYS   1  -3.927   5.830   5.947
    7    H    ALA   2           H        ALA   2  -5.300   3.416   3.690
    8    HA   ALA   2           HA       ALA   2  -7.193   1.315   4.221
    9    HB1  ALA   2           HB1      ALA   2  -7.080   2.371   2.019
   10    HB2  ALA   2           HB2      ALA   2  -6.729   0.648   1.928
   11    HB3  ALA   2           HB3      ALA   2  -5.416   1.820   1.843
   12    H    VAL   3           H        VAL   3  -6.735  -0.714   4.646
   13    HA   VAL   3           HA       VAL   3  -4.014  -1.341   5.478
   14    HB   VAL   3           HB       VAL   3  -4.967  -3.337   6.517
   15   HG11  VAL   3          HG11      VAL   3  -6.587  -0.877   7.116
   16   HG12  VAL   3          HG12      VAL   3  -5.030  -1.315   7.820
   17   HG13  VAL   3          3HG1      VAL   3  -6.458  -2.293   8.159
   18   HG21  VAL   3          HG21      VAL   3  -7.576  -2.472   5.270
   19   HG22  VAL   3          HG22      VAL   3  -7.419  -3.765   6.466
   20   HG23  VAL   3          HG23      VAL   3  -6.658  -3.920   4.878
   21    H    THR   4           H        THR   4  -3.705  -3.961   5.056
   22    HA   THR   4           HA       THR   4  -3.046  -4.130   2.353
   23    HB   THR   4           HB       THR   4  -3.438  -6.462   4.272
   24    HG1  THR   4           HG1      THR   4  -1.964  -5.175   5.267
   25   HG21  THR   4          HG21      THR   4  -1.683  -6.134   1.824
   26   HG22  THR   4          HG22      THR   4  -3.137  -7.128   1.922
   27   HG23  THR   4          HG23      THR   4  -1.713  -7.548   2.875
   28    H    HIS   5           H        HIS   5  -4.093  -4.825   0.638
   29    HA   HIS   5           HA       HIS   5  -5.515  -5.846  -0.753
   30    HB2  HIS   5           HB2      HIS   5  -7.057  -6.869   1.644
   31    HB3  HIS   5           HB1      HIS   5  -7.416  -7.287  -0.026
   32    HD1  HIS   5           HD1      HIS   5  -5.971  -8.806   2.753
   33    HD2  HIS   5           HD2      HIS   5  -4.708  -8.304  -1.173
   34    HE1  HIS   5           HE1      HIS   5  -4.226 -10.567   2.353
   35    H    GLU   6           H        GLU   6  -6.416  -3.407   1.367
   36    HA   GLU   6           HA       GLU   6  -8.949  -2.887   0.083
   37    HB2  GLU   6           HB2      GLU   6  -7.232  -1.309   1.986
   38    HB3  GLU   6           HB1      GLU   6  -8.690  -0.614   1.262
   39    HG2  GLU   6           HG2      GLU   6  -9.899  -2.537   2.356
   40    HG3  GLU   6           HG1      GLU   6  -8.381  -2.885   3.191
   41    H    LYS   7           H        LYS   7  -9.327  -1.193  -1.399
   42    HA   LYS   7           HA       LYS   7  -7.380  -0.789  -3.371
   43    HB2  LYS   7           HB2      LYS   7  -8.881   0.927  -4.301
   44    HB3  LYS   7           HB1      LYS   7  -9.750  -0.539  -3.888
   45    HG2  LYS   7           HG2      LYS   7 -10.564   0.532  -1.832
   46    HG3  LYS   7           HG1      LYS   7  -9.671   1.992  -2.247
   47    HD2  LYS   7           HD2      LYS   7 -11.986   2.289  -2.850
   48    HD3  LYS   7           HD1      LYS   7 -11.020   2.176  -4.318
   49    HE2  LYS   7           HE2      LYS   7 -13.071   0.907  -4.545
   50    HE3  LYS   7           HE1      LYS   7 -11.687  -0.180  -4.565
   51    HZ1  LYS   7           HZ1      LYS   7 -13.525  -1.008  -3.193
   52    HZ2  LYS   7           HZ2      LYS   7 -13.416   0.336  -2.203
   53    HZ3  LYS   7           HZ3      LYS   7 -12.143  -0.766  -2.276
   54    H    CYS   8           H        CYS   8  -6.148   1.053  -3.933
   55    HA   CYS   8           HA       CYS   8  -5.616   2.785  -1.620
   56    HB2  CYS   8           HB2      CYS   8  -3.304   2.916  -2.516
   57    HB3  CYS   8           HB1      CYS   8  -3.774   1.300  -1.999
   58    H    SER   9           H        SER   9  -5.671   4.931  -1.941
   59    HA   SER   9           HA       SER   9  -6.294   5.914  -4.617
   60    HB2  SER   9           HB2      SER   9  -6.037   7.518  -2.076
   61    HB3  SER   9           HB1      SER   9  -7.013   7.881  -3.504
   62    HG   SER   9           HG       SER   9  -7.386   5.970  -1.498
   63    H    ASP  10           H        ASP  10  -3.718   5.583  -2.395
   64    HA   ASP  10           HA       ASP  10  -1.766   6.740  -4.094
   65    HB2  ASP  10           HB2      ASP  10  -2.765   8.773  -2.919
   66    HB3  ASP  10           HB1      ASP  10  -2.270   8.037  -1.400
   67    H    ASP  11           H        ASP  11   0.341   6.415  -2.960
   68    HA   ASP  11           HA       ASP  11   0.491   3.874  -1.662
   69    HB2  ASP  11           HB2      ASP  11   2.645   6.004  -1.826
   70    HB3  ASP  11           HB1      ASP  11   2.893   4.325  -1.385
   71    H    TYR  12           H        TYR  12   0.588   7.211  -0.563
   72    HA   TYR  12           HA       TYR  12   1.163   6.401   2.162
   73    HB2  TYR  12           HB2      TYR  12   0.585   9.154   1.043
   74    HB3  TYR  12           HB1      TYR  12   1.154   8.813   2.673
   75    HD1  TYR  12           HD1      TYR  12   3.451   7.746   2.941
   76    HD2  TYR  12           HD2      TYR  12   2.097   9.381  -0.740
   77    HE1  TYR  12           HE1      TYR  12   5.772   7.836   2.129
   78    HE2  TYR  12           HE2      TYR  12   4.411   9.473  -1.559
   79    HH   TYR  12           HH       TYR  12   6.928   7.838  -0.040
   80    H    ASP  13           H        ASP  13  -1.450   6.308   0.329
   81    HA   ASP  13           HA       ASP  13  -3.447   7.105   2.293
   82    HB2  ASP  13           HB2      ASP  13  -3.896   7.463  -0.109
   83    HB3  ASP  13           HB1      ASP  13  -3.663   5.756  -0.423
   84    H    CYS  14           H        CYS  14  -1.463   4.545   1.569
   85    HA   CYS  14           HA       CYS  14  -3.127   2.486   2.768
   86    HB2  CYS  14           HB2      CYS  14  -0.347   2.373   1.588
   87    HB3  CYS  14           HB1      CYS  14  -1.321   0.997   2.107
   88    H    CYS  15           H        CYS  15  -2.540   1.488   4.676
   89    HA   CYS  15           HA       CYS  15  -1.024   3.043   6.557
   90    HB2  CYS  15           HB2      CYS  15  -2.293   0.314   6.807
   91    HB3  CYS  15           HB1      CYS  15  -1.696   1.295   8.146
   92    H    GLY  16           H        GLY  16   0.599   1.795   8.012
   93    HA2  GLY  16           HA2      GLY  16   2.574   0.696   8.297
   94    HA3  GLY  16           HA1      GLY  16   1.894  -0.533   7.250
   95    H    SER  17           H        SER  17   3.720  -1.030   6.120
   96    HA   SER  17           HA       SER  17   5.082   1.096   4.690
   97    HB2  SER  17           HB2      SER  17   6.660  -0.937   4.276
   98    HB3  SER  17           HB1      SER  17   6.633  -0.182   5.873
   99    HG   SER  17           HG       SER  17   6.347  -2.186   6.404
  100    H    LEU  18           H        LEU  18   2.415  -0.057   4.087
  101    HA   LEU  18           HA       LEU  18   2.698  -1.659   1.717
  102    HB2  LEU  18           HB2      LEU  18   0.313  -0.170   2.767
  103    HB3  LEU  18           HB1      LEU  18   0.300  -1.419   1.541
  104    HG   LEU  18           HG       LEU  18   0.996  -1.807   4.445
  105   HD11  LEU  18          HD11      LEU  18  -1.133  -3.005   4.522
  106   HD12  LEU  18          HD12      LEU  18  -1.436  -2.533   2.848
  107   HD13  LEU  18          HD13      LEU  18  -1.338  -1.303   4.108
  108   HD21  LEU  18          HD21      LEU  18   0.674  -3.809   2.208
  109   HD22  LEU  18          HD22      LEU  18   0.907  -4.188   3.915
  110   HD23  LEU  18          HD23      LEU  18   2.186  -3.378   3.013
  111    H    CYS  19           H        CYS  19   2.184  -0.981  -0.357
  112    HA   CYS  19           HA       CYS  19   2.192   1.894  -0.794
  113    HB2  CYS  19           HB2      CYS  19   3.645  -0.252  -2.361
  114    HB3  CYS  19           HB1      CYS  19   3.534   1.447  -2.824
  115    H    CYS  20           H        CYS  20   1.529   2.175  -3.292
  116    HA   CYS  20           HA       CYS  20  -1.083   0.903  -3.344
  117    HB2  CYS  20           HB2      CYS  20  -0.971   3.351  -3.306
  118    HB3  CYS  20           HB1      CYS  20  -0.034   3.328  -4.792
  119    H    VAL  21           H        VAL  21  -1.349  -0.747  -4.626
  120    HA   VAL  21           HA       VAL  21  -0.249  -0.698  -7.330
  121    HB   VAL  21           HB       VAL  21   0.108  -3.212  -7.196
  122   HG11  VAL  21          HG11      VAL  21   2.266  -3.108  -6.033
  123   HG12  VAL  21          HG12      VAL  21   1.801  -1.558  -5.331
  124   HG13  VAL  21          3HG1      VAL  21   2.009  -1.707  -7.074
  125   HG21  VAL  21          HG21      VAL  21  -1.262  -3.676  -5.218
  126   HG22  VAL  21          HG22      VAL  21  -0.137  -2.758  -4.217
  127   HG23  VAL  21          HG23      VAL  21   0.390  -4.253  -4.994
  128    H    GLY  22           H        GLY  22  -2.685   0.181  -6.633
  129    HA2  GLY  22           HA2      GLY  22  -4.832  -0.090  -7.589
  130    HA3  GLY  22           HA1      GLY  22  -4.548  -1.835  -7.688
  131    H    ILE  23           H        ILE  23  -3.636  -2.427  -5.363
  132    HA   ILE  23           HA       ILE  23  -5.523  -1.526  -3.324
  133    HB   ILE  23           HB       ILE  23  -5.325  -3.790  -2.298
  134   HG12  ILE  23          HG12      ILE  23  -4.009  -4.575  -4.915
  135   HG13  ILE  23          HG11      ILE  23  -3.178  -4.435  -3.373
  136   HG21  ILE  23          HG21      ILE  23  -7.279  -3.271  -3.613
  137   HG22  ILE  23          HG22      ILE  23  -6.828  -4.961  -3.840
  138   HG23  ILE  23          HG23      ILE  23  -6.450  -3.770  -5.087
  139   HD11  ILE  23          HD11      ILE  23  -3.655  -6.755  -3.956
  140   HD12  ILE  23          HD12      ILE  23  -5.383  -6.392  -4.008
  141   HD13  ILE  23          HD13      ILE  23  -4.498  -6.276  -2.487
  142    H    CYS  24           H        CYS  24  -4.570  -1.782  -1.176
  143    HA   CYS  24           HA       CYS  24  -1.852  -0.927  -1.171
  144    HB2  CYS  24           HB2      CYS  24  -3.758  -1.538   1.084
  145    HB3  CYS  24           HB1      CYS  24  -2.161  -0.817   1.284
  146    H    ALA  25           H        ALA  25  -0.224  -2.190  -1.271
  147    HA   ALA  25           HA       ALA  25  -0.051  -4.631   0.244
  148    HB1  ALA  25           HB1      ALA  25   0.211  -4.609  -2.775
  149    HB2  ALA  25           HB2      ALA  25  -1.049  -5.432  -1.856
  150    HB3  ALA  25           HB3      ALA  25   0.628  -5.967  -1.731
  151    H    LYS  26           H        LYS  26   2.211  -5.373   0.177
  152    HA   LYS  26           HA       LYS  26   3.922  -3.026   0.097
  153    HB2  LYS  26           HB2      LYS  26   3.862  -4.420   2.125
  154    HB3  LYS  26           HB1      LYS  26   4.471  -5.783   1.199
  155    HG2  LYS  26           HG2      LYS  26   6.528  -4.500   0.717
  156    HG3  LYS  26           HG1      LYS  26   5.920  -3.191   1.727
  157    HD2  LYS  26           HD2      LYS  26   6.493  -6.012   2.640
  158    HD3  LYS  26           HD1      LYS  26   7.512  -4.607   2.938
  159    HE2  LYS  26           HE2      LYS  26   5.707  -3.565   4.221
  160    HE3  LYS  26           HE1      LYS  26   4.681  -4.961   3.899
  161    HZ1  LYS  26           HZ1      LYS  26   6.279  -6.337   5.114
  162    HZ2  LYS  26           HZ2      LYS  26   5.644  -5.122   6.078
  163    HZ3  LYS  26           HZ3      LYS  26   7.203  -4.968   5.470
  164    H    THR  27           H        THR  27   5.186  -2.646  -1.589
  165    HA   THR  27           HA       THR  27   5.662  -4.546  -3.639
  166    HB   THR  27           HB       THR  27   7.139  -2.534  -4.354
  167    HG1  THR  27           HG1      THR  27   7.245  -0.979  -2.921
  168   HG21  THR  27          HG21      THR  27   4.904  -2.991  -5.298
  169   HG22  THR  27          HG22      THR  27   5.153  -1.259  -5.067
  170   HG23  THR  27          HG23      THR  27   4.163  -2.169  -3.926
  171    H    ILE  28           H        ILE  28   8.193  -4.514  -4.360
  172    HA   ILE  28           HA       ILE  28   9.595  -5.759  -2.203
  173    HB   ILE  28           HB       ILE  28  10.655  -4.948  -4.938
  174   HG12  ILE  28          HG12      ILE  28   9.693  -7.624  -3.889
  175   HG13  ILE  28          HG11      ILE  28   8.840  -6.605  -5.039
  176   HG21  ILE  28          HG21      ILE  28  12.505  -6.511  -4.472
  177   HG22  ILE  28          HG22      ILE  28  11.869  -6.773  -2.848
  178   HG23  ILE  28          HG23      ILE  28  12.473  -5.181  -3.312
  179   HD11  ILE  28          HD11      ILE  28   9.964  -8.478  -6.121
  180   HD12  ILE  28          HD12      ILE  28  11.514  -7.908  -5.500
  181   HD13  ILE  28          HD13      ILE  28  10.617  -6.933  -6.663
  182    H    ALA  29           H        ALA  29   9.907  -2.712  -3.916
  183    HA   ALA  29           HA       ALA  29  11.686  -1.777  -1.816
  184    HB1  ALA  29           HB1      ALA  29  12.192   0.066  -3.332
  185    HB2  ALA  29           HB2      ALA  29  11.069  -0.594  -4.525
  186    HB3  ALA  29           HB3      ALA  29  12.529  -1.491  -4.088
  187    HA   PRO  30           HA       PRO  30   8.044   0.165  -0.256
  188    HB2  PRO  30           HB2      PRO  30   9.215   1.624   1.705
  189    HB3  PRO  30           HB1      PRO  30   8.964  -0.121   1.835
  190    HG2  PRO  30           HG2      PRO  30  11.434   1.389   1.101
  191    HG3  PRO  30           HG1      PRO  30  11.265  -0.034   2.144
  192    HD2  PRO  30           HD2      PRO  30  12.098  -0.152  -0.435
  193    HD3  PRO  30           HD1      PRO  30  11.228  -1.487   0.343
  194    H    CYS  31           H        CYS  31   6.987   1.952  -0.698
  195    HA   CYS  31           HA       CYS  31   8.166   4.048  -2.246
  196    HB2  CYS  31           HB2      CYS  31   5.761   4.841  -2.167
  197    HB3  CYS  31           HB1      CYS  31   5.999   3.224  -2.839
  198    H    LYS  32           H        LYS  32   7.884   3.389   0.988
  199    HA   LYS  32           HA       LYS  32   7.835   6.210   1.763
  200    HB2  LYS  32           HB2      LYS  32   7.150   3.793   3.447
  201    HB3  LYS  32           HB1      LYS  32   6.949   5.481   3.895
  202    HG2  LYS  32           HG2      LYS  32   5.213   5.724   2.193
  203    HG3  LYS  32           HG1      LYS  32   5.443   4.041   1.718
  204    HD2  LYS  32           HD2      LYS  32   4.825   3.342   3.987
  205    HD3  LYS  32           HD1      LYS  32   4.534   5.029   4.413
  206    HE2  LYS  32           HE2      LYS  32   2.822   5.126   2.626
  207    HE3  LYS  32           HE1      LYS  32   3.078   3.406   2.331
  208    HZ1  LYS  32           HZ1      LYS  32   2.448   2.999   4.666
  209    HZ2  LYS  32           HZ2      LYS  32   1.190   3.716   3.796
  210    HZ3  LYS  32           HZ3      LYS  32   2.106   4.633   4.846
  Start of MODEL   20
    1    H1   CYS   1           HT1      CYS   1  -7.529   5.641   6.342
    2    H2   CYS   1           HT2      CYS   1  -6.187   6.502   6.838
    3    H3   CYS   1           HT3      CYS   1  -6.535   4.990   7.541
    4    HA   CYS   1           HA       CYS   1  -5.795   5.456   4.746
    5    HB2  CYS   1           HB2      CYS   1  -3.744   4.182   5.377
    6    HB3  CYS   1           HB1      CYS   1  -3.873   5.744   6.169
    7    H    ALA   2           H        ALA   2  -5.499   3.530   3.538
    8    HA   ALA   2           HA       ALA   2  -7.499   1.530   4.143
    9    HB1  ALA   2           HB1      ALA   2  -5.698   1.887   1.747
   10    HB2  ALA   2           HB2      ALA   2  -7.354   2.474   1.890
   11    HB3  ALA   2           HB3      ALA   2  -7.031   0.741   1.870
   12    H    VAL   3           H        VAL   3  -7.029  -0.701   4.264
   13    HA   VAL   3           HA       VAL   3  -4.311  -1.213   5.231
   14    HB   VAL   3           HB       VAL   3  -5.220  -3.209   6.348
   15   HG11  VAL   3          HG11      VAL   3  -5.132  -1.142   7.584
   16   HG12  VAL   3          HG12      VAL   3  -6.552  -2.074   8.056
   17   HG13  VAL   3          3HG1      VAL   3  -6.723  -0.685   6.981
   18   HG21  VAL   3          HG21      VAL   3  -7.030  -3.765   4.839
   19   HG22  VAL   3          HG22      VAL   3  -7.867  -2.282   5.244
   20   HG23  VAL   3          HG23      VAL   3  -7.681  -3.549   6.468
   21    H    THR   4           H        THR   4  -3.960  -3.826   4.983
   22    HA   THR   4           HA       THR   4  -3.216  -4.139   2.321
   23    HB   THR   4           HB       THR   4  -3.593  -6.345   4.380
   24    HG1  THR   4           HG1      THR   4  -2.196  -4.867   5.278
   25   HG21  THR   4          HG21      THR   4  -3.219  -7.174   2.101
   26   HG22  THR   4          HG22      THR   4  -1.791  -7.455   3.104
   27   HG23  THR   4          HG23      THR   4  -1.810  -6.128   1.947
   28    H    HIS   5           H        HIS   5  -4.140  -5.000   0.604
   29    HA   HIS   5           HA       HIS   5  -5.503  -6.063  -0.807
   30    HB2  HIS   5           HB2      HIS   5  -6.934  -7.102   1.629
   31    HB3  HIS   5           HB1      HIS   5  -7.550  -7.381   0.007
   32    HD1  HIS   5           HD1      HIS   5  -5.452  -8.928   2.483
   33    HD2  HIS   5           HD2      HIS   5  -5.470  -8.695  -1.664
   34    HE1  HIS   5           HE1      HIS   5  -4.099 -10.884   1.672
   35    H    GLU   6           H        GLU   6  -6.579  -3.676   1.283
   36    HA   GLU   6           HA       GLU   6  -8.972  -3.150  -0.234
   37    HB2  GLU   6           HB2      GLU   6  -7.501  -1.467   1.818
   38    HB3  GLU   6           HB1      GLU   6  -9.041  -1.015   1.083
   39    HG2  GLU   6           HG2      GLU   6  -9.945  -3.143   2.084
   40    HG3  GLU   6           HG1      GLU   6  -8.423  -3.267   2.965
   41    H    LYS   7           H        LYS   7  -9.195  -1.201  -1.540
   42    HA   LYS   7           HA       LYS   7  -6.993  -0.981  -3.312
   43    HB2  LYS   7           HB2      LYS   7  -9.618   0.488  -3.250
   44    HB3  LYS   7           HB1      LYS   7  -8.414   0.679  -4.522
   45    HG2  LYS   7           HG2      LYS   7  -8.571  -1.722  -5.009
   46    HG3  LYS   7           HG1      LYS   7  -9.796  -1.860  -3.749
   47    HD2  LYS   7           HD2      LYS   7 -11.265  -0.380  -4.976
   48    HD3  LYS   7           HD1      LYS   7 -10.035  -0.164  -6.220
   49    HE2  LYS   7           HE2      LYS   7 -11.720  -1.794  -6.909
   50    HE3  LYS   7           HE1      LYS   7 -10.130  -2.532  -6.764
   51    HZ1  LYS   7           HZ1      LYS   7 -10.780  -3.468  -4.656
   52    HZ2  LYS   7           HZ2      LYS   7 -11.937  -3.888  -5.815
   53    HZ3  LYS   7           HZ3      LYS   7 -12.263  -2.680  -4.705
   54    H    CYS   8           H        CYS   8  -5.932   0.951  -3.971
   55    HA   CYS   8           HA       CYS   8  -5.497   2.705  -1.661
   56    HB2  CYS   8           HB2      CYS   8  -3.175   2.894  -2.471
   57    HB3  CYS   8           HB1      CYS   8  -3.613   1.255  -2.007
   58    H    SER   9           H        SER   9  -5.558   4.851  -1.982
   59    HA   SER   9           HA       SER   9  -6.004   5.812  -4.681
   60    HB2  SER   9           HB2      SER   9  -6.008   7.286  -2.030
   61    HB3  SER   9           HB1      SER   9  -6.607   7.900  -3.576
   62    HG   SER   9           HG       SER   9  -7.679   5.520  -2.997
   63    H    ASP  10           H        ASP  10  -3.566   5.483  -2.274
   64    HA   ASP  10           HA       ASP  10  -1.465   6.358  -3.935
   65    HB2  ASP  10           HB2      ASP  10  -2.246   8.607  -3.288
   66    HB3  ASP  10           HB1      ASP  10  -2.216   8.135  -1.591
   67    H    ASP  11           H        ASP  11   0.609   6.274  -2.591
   68    HA   ASP  11           HA       ASP  11   0.717   3.777  -1.217
   69    HB2  ASP  11           HB2      ASP  11   2.803   5.966  -1.207
   70    HB3  ASP  11           HB1      ASP  11   3.059   4.282  -0.787
   71    H    TYR  12           H        TYR  12   0.786   7.146  -0.179
   72    HA   TYR  12           HA       TYR  12   1.194   6.384   2.578
   73    HB2  TYR  12           HB2      TYR  12   0.759   9.107   1.332
   74    HB3  TYR  12           HB1      TYR  12   1.209   8.811   3.008
   75    HD1  TYR  12           HD1      TYR  12   2.368   8.770  -0.473
   76    HD2  TYR  12           HD2      TYR  12   3.494   8.173   3.583
   77    HE1  TYR  12           HE1      TYR  12   4.729   8.853  -1.125
   78    HE2  TYR  12           HE2      TYR  12   5.871   8.252   2.933
   79    HH   TYR  12           HH       TYR  12   7.256   7.887   0.855
   80    H    ASP  13           H        ASP  13  -1.314   6.354   0.589
   81    HA   ASP  13           HA       ASP  13  -3.375   7.161   2.461
   82    HB2  ASP  13           HB2      ASP  13  -3.896   7.627   0.178
   83    HB3  ASP  13           HB1      ASP  13  -3.354   6.046  -0.349
   84    H    CYS  14           H        CYS  14  -1.445   4.520   1.739
   85    HA   CYS  14           HA       CYS  14  -3.244   2.566   2.913
   86    HB2  CYS  14           HB2      CYS  14  -0.477   2.260   1.747
   87    HB3  CYS  14           HB1      CYS  14  -1.557   0.963   2.263
   88    H    CYS  15           H        CYS  15  -2.817   1.614   4.849
   89    HA   CYS  15           HA       CYS  15  -1.363   3.095   6.791
   90    HB2  CYS  15           HB2      CYS  15  -2.474   0.301   6.981
   91    HB3  CYS  15           HB1      CYS  15  -2.064   1.359   8.326
   92    H    GLY  16           H        GLY  16   0.210   1.937   8.300
   93    HA2  GLY  16           HA2      GLY  16   2.205   0.934   8.708
   94    HA3  GLY  16           HA1      GLY  16   1.677  -0.320   7.598
   95    H    SER  17           H        SER  17   3.292  -0.678   6.266
   96    HA   SER  17           HA       SER  17   4.542   1.631   5.001
   97    HB2  SER  17           HB2      SER  17   6.534   0.124   4.756
   98    HB3  SER  17           HB1      SER  17   6.153   0.565   6.419
   99    HG   SER  17           HG       SER  17   5.529  -1.412   6.844
  100    H    LEU  18           H        LEU  18   2.135   0.248   4.273
  101    HA   LEU  18           HA       LEU  18   2.625  -1.482   2.052
  102    HB2  LEU  18           HB2      LEU  18   0.177   0.064   2.852
  103    HB3  LEU  18           HB1      LEU  18   0.224  -1.211   1.650
  104    HG   LEU  18           HG       LEU  18   0.764  -1.559   4.597
  105   HD11  LEU  18          HD11      LEU  18  -1.626  -2.298   2.927
  106   HD12  LEU  18          HD12      LEU  18  -1.562  -1.016   4.137
  107   HD13  LEU  18          HD13      LEU  18  -1.389  -2.703   4.626
  108   HD21  LEU  18          HD21      LEU  18   0.654  -3.938   4.091
  109   HD22  LEU  18          HD22      LEU  18   1.975  -3.164   3.215
  110   HD23  LEU  18          HD23      LEU  18   0.480  -3.576   2.376
  111    H    CYS  19           H        CYS  19   2.098  -0.958  -0.132
  112    HA   CYS  19           HA       CYS  19   2.415   1.865  -0.774
  113    HB2  CYS  19           HB2      CYS  19   3.622  -0.533  -2.165
  114    HB3  CYS  19           HB1      CYS  19   3.778   1.146  -2.679
  115    H    CYS  20           H        CYS  20   1.674   2.244  -3.065
  116    HA   CYS  20           HA       CYS  20  -0.925   0.971  -3.303
  117    HB2  CYS  20           HB2      CYS  20  -0.646   3.463  -3.318
  118    HB3  CYS  20           HB1      CYS  20   0.225   3.305  -4.836
  119    H    VAL  21           H        VAL  21  -1.100  -0.722  -4.558
  120    HA   VAL  21           HA       VAL  21   0.121  -0.732  -7.194
  121    HB   VAL  21           HB       VAL  21   1.641  -2.001  -5.679
  122   HG11  VAL  21          HG11      VAL  21  -0.674  -3.827  -5.151
  123   HG12  VAL  21          HG12      VAL  21   0.145  -2.772  -4.001
  124   HG13  VAL  21          3HG1      VAL  21   1.002  -4.147  -4.700
  125   HG21  VAL  21          HG21      VAL  21   0.240  -3.762  -7.693
  126   HG22  VAL  21          HG22      VAL  21   1.818  -4.097  -6.981
  127   HG23  VAL  21          HG23      VAL  21   1.596  -2.677  -8.004
  128    H    GLY  22           H        GLY  22  -2.359   0.016  -6.635
  129    HA2  GLY  22           HA2      GLY  22  -4.458  -0.457  -7.598
  130    HA3  GLY  22           HA1      GLY  22  -4.053  -2.181  -7.562
  131    H    ILE  23           H        ILE  23  -3.315  -2.773  -5.276
  132    HA   ILE  23           HA       ILE  23  -5.301  -1.848  -3.344
  133    HB   ILE  23           HB       ILE  23  -5.055  -4.046  -2.235
  134   HG12  ILE  23          HG12      ILE  23  -3.396  -4.820  -4.652
  135   HG13  ILE  23          HG11      ILE  23  -2.751  -4.535  -3.043
  136   HG21  ILE  23          HG21      ILE  23  -6.281  -5.402  -3.875
  137   HG22  ILE  23          HG22      ILE  23  -5.833  -4.260  -5.141
  138   HG23  ILE  23          HG23      ILE  23  -6.875  -3.741  -3.816
  139   HD11  ILE  23          HD11      ILE  23  -4.011  -6.446  -2.199
  140   HD12  ILE  23          HD12      ILE  23  -2.963  -6.913  -3.537
  141   HD13  ILE  23          HD13      ILE  23  -4.695  -6.707  -3.802
  142    H    CYS  24           H        CYS  24  -4.486  -1.911  -1.140
  143    HA   CYS  24           HA       CYS  24  -1.831  -0.890  -0.969
  144    HB2  CYS  24           HB2      CYS  24  -3.868  -1.569   1.150
  145    HB3  CYS  24           HB1      CYS  24  -2.319  -0.795   1.472
  146    H    ALA  25           H        ALA  25  -0.191  -2.159  -1.120
  147    HA   ALA  25           HA       ALA  25   0.038  -4.506   0.545
  148    HB1  ALA  25           HB1      ALA  25   0.221  -4.627  -2.464
  149    HB2  ALA  25           HB2      ALA  25  -0.984  -5.434  -1.454
  150    HB3  ALA  25           HB3      ALA  25   0.717  -5.904  -1.358
  151    H    LYS  26           H        LYS  26   2.275  -5.201   0.588
  152    HA   LYS  26           HA       LYS  26   4.027  -2.958   0.178
  153    HB2  LYS  26           HB2      LYS  26   4.230  -4.153   2.266
  154    HB3  LYS  26           HB1      LYS  26   4.508  -5.667   1.417
  155    HG2  LYS  26           HG2      LYS  26   6.621  -4.819   0.548
  156    HG3  LYS  26           HG1      LYS  26   6.331  -3.277   1.347
  157    HD2  LYS  26           HD2      LYS  26   6.540  -5.903   2.809
  158    HD3  LYS  26           HD1      LYS  26   7.900  -4.813   2.549
  159    HE2  LYS  26           HE2      LYS  26   5.349  -4.115   4.007
  160    HE3  LYS  26           HE1      LYS  26   6.891  -4.509   4.757
  161    HZ1  LYS  26           HZ1      LYS  26   7.870  -2.579   3.667
  162    HZ2  LYS  26           HZ2      LYS  26   6.586  -2.157   4.664
  163    HZ3  LYS  26           HZ3      LYS  26   6.375  -2.158   3.004
  164    H    THR  27           H        THR  27   4.855  -2.658  -1.754
  165    HA   THR  27           HA       THR  27   5.173  -4.682  -3.701
  166    HB   THR  27           HB       THR  27   6.364  -2.693  -4.836
  167    HG1  THR  27           HG1      THR  27   6.385  -0.813  -3.745
  168   HG21  THR  27          HG21      THR  27   4.227  -1.541  -5.260
  169   HG22  THR  27          HG22      THR  27   3.511  -2.361  -3.872
  170   HG23  THR  27          HG23      THR  27   4.010  -3.291  -5.285
  171    H    ILE  28           H        ILE  28   7.555  -4.440  -4.860
  172    HA   ILE  28           HA       ILE  28   9.359  -5.618  -2.965
  173    HB   ILE  28           HB       ILE  28   9.919  -4.808  -5.848
  174   HG12  ILE  28          HG12      ILE  28   8.999  -7.486  -4.765
  175   HG13  ILE  28          HG11      ILE  28   7.989  -6.360  -5.661
  176   HG21  ILE  28          HG21      ILE  28  11.935  -5.215  -4.512
  177   HG22  ILE  28          HG22      ILE  28  11.714  -6.476  -5.725
  178   HG23  ILE  28          HG23      ILE  28  11.306  -6.794  -4.040
  179   HD11  ILE  28          HD11      ILE  28  10.438  -7.764  -6.713
  180   HD12  ILE  28          HD12      ILE  28   9.426  -6.639  -7.619
  181   HD13  ILE  28          HD13      ILE  28   8.761  -8.179  -7.073
  182    H    ALA  29           H        ALA  29   9.136  -2.629  -4.787
  183    HA   ALA  29           HA       ALA  29  11.489  -1.532  -3.499
  184    HB1  ALA  29           HB1      ALA  29  11.142  -1.101  -5.884
  185    HB2  ALA  29           HB2      ALA  29  11.100   0.404  -4.966
  186    HB3  ALA  29           HB3      ALA  29   9.598  -0.328  -5.526
  187    HA   PRO  30           HA       PRO  30   8.842   0.125  -0.235
  188    HB2  PRO  30           HB2      PRO  30  11.190   1.787   0.409
  189    HB3  PRO  30           HB1      PRO  30  10.338   0.609   1.413
  190    HG2  PRO  30           HG2      PRO  30  12.778   0.105   0.428
  191    HG3  PRO  30           HG1      PRO  30  11.558  -1.169   0.603
  192    HD2  PRO  30           HD2      PRO  30  12.418   0.306  -1.853
  193    HD3  PRO  30           HD1      PRO  30  12.027  -1.415  -1.627
  194    H    CYS  31           H        CYS  31   7.432   1.698  -0.474
  195    HA   CYS  31           HA       CYS  31   7.991   3.937  -2.226
  196    HB2  CYS  31           HB2      CYS  31   5.560   4.392  -1.842
  197    HB3  CYS  31           HB1      CYS  31   5.901   2.801  -2.525
  198    H    LYS  32           H        LYS  32   7.815   3.194   1.128
  199    HA   LYS  32           HA       LYS  32   7.825   6.041   1.793
  200    HB2  LYS  32           HB2      LYS  32   7.199   3.684   3.594
  201    HB3  LYS  32           HB1      LYS  32   7.073   5.383   4.022
  202    HG2  LYS  32           HG2      LYS  32   5.291   5.652   2.339
  203    HG3  LYS  32           HG1      LYS  32   5.393   3.929   1.985
  204    HD2  LYS  32           HD2      LYS  32   4.861   3.479   4.376
  205    HD3  LYS  32           HD1      LYS  32   4.610   5.208   4.600
  206    HE2  LYS  32           HE2      LYS  32   2.863   5.151   2.858
  207    HE3  LYS  32           HE1      LYS  32   3.078   3.408   2.725
  208    HZ1  LYS  32           HZ1      LYS  32   2.133   4.897   5.107
  209    HZ2  LYS  32           HZ2      LYS  32   2.479   3.282   5.140
  210    HZ3  LYS  32           HZ3      LYS  32   1.209   3.851   4.175