*HEADER    SIGNALING PROTEIN INHIBITOR, TOXIN      02-SEP-07   2JUR              
*TITLE     ALPHA-RGIA, A NOVEL CONOTOXIN THAT BLOCKS THE                        
*TITLE    2 ALPHA9-ALPHA10 NACHR                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN RGIA;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 20-32;                                            
*COMPND   5 SYNONYM: ALPHA-RGIA;                                                 
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SEQUENCE OCCURS NATURALLY IN CONUS REGIUS             
*SOURCE   4 (CROWN CONE)                                                         
*KEYWDS    TWO-LOOP BACKBONE ARCHITECTURE, DISULFIDE BOND, SIGNALING             
*KEYWDS   2 PROTEIN INHIBITOR, TOXIN                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Z.FENG, M.ELLISON                                                     
*REVDAT   1   25-MAY-11 2JUR    0                                                


class ss
assign (resid 2 and name sg) (resid 8 and name sg)  2.02 0.1 0.1
assign (resid 3 and name sg) (resid 12 and name sg)  2.02 0.1 0.1

assign (resid    3 and name   HA ) (resid   12 and name  HB# ) 4.72 2.92 0.0 
assign (resid    3 and name  HB2 ) (resid   12 and name   HA ) 4.43 2.63 0.0 
assign (resid    3 and name  HB1 ) (resid   12 and name  HB# ) 3.50 1.70 0.0 
assign (resid    3 and name   HN ) (resid   12 and name   HA ) 4.82 3.02 0.0 
assign (resid    3 and name   HN ) (resid   12 and name   HN ) 5.33 3.53 0.0 

assign (resid    2 and name   HN ) (resid    2 and name   HA ) 2.95 1.15 0.0 
assign (resid    2 and name   HN ) (resid    2 and name  HB2 ) 3.52 1.72 0.0 
assign (resid    2 and name   HN ) (resid    2 and name  HB1 ) 3.43 1.63 0.0 
assign (resid    3 and name   HA ) (resid    3 and name  HB1 ) 4.37 2.57 0.0
assign (resid    3 and name  HB2 ) (resid    3 and name  HB1 ) 3.41 1.61 0.0
assign (resid    3 and name   HN ) (resid    3 and name   HA ) 3.58 1.78 0.0
assign (resid    3 and name   HN ) (resid    3 and name  HB2 ) 3.05 1.25 0.0
assign (resid    3 and name   HN ) (resid    3 and name  HB1 ) 3.76 1.96 0.0
assign (resid    4 and name   HA ) (resid    4 and name  HB2 ) 3.86 2.06 0.0
assign (resid    4 and name   HA ) (resid    4 and name  HB1 ) 4.08 2.28 0.0
assign (resid    4 and name   HN ) (resid    4 and name   HA ) 3.24 1.44 0.0
assign (resid    4 and name   HN ) (resid    4 and name  HB2 ) 4.12 2.32 0.0
assign (resid    4 and name   HN ) (resid    4 and name  HB1 ) 4.03 2.23 0.0
assign (resid    5 and name   HA ) (resid    5 and name  HB2 ) 3.80 2.00 0.0
assign (resid    5 and name   HA ) (resid    5 and name  HB1 ) 3.60 1.80 0.0
assign (resid    5 and name   HN ) (resid    5 and name   HA ) 3.57 1.77 0.0
assign (resid    5 and name   HN ) (resid    5 and name  HB2 ) 3.53 1.73 0.0
assign (resid    5 and name   HN ) (resid    5 and name  HB1 ) 4.03 2.23 0.0
assign (resid    6 and name   HA ) (resid    6 and name  HB2 ) 3.85 2.05 0.0
assign (resid    6 and name   HA ) (resid    6 and name  HB1 ) 3.61 1.81 0.0
assign (resid    6 and name   HA ) (resid    6 and name  HG2 ) 4.40 2.60 0.0
assign (resid    6 and name   HA ) (resid    6 and name  HG1 ) 4.84 3.04 0.0
assign (resid    6 and name  HB1 ) (resid    6 and name  HB2 ) 3.89 2.09 0.0
assign (resid    6 and name  HB1 ) (resid    6 and name  HG2 ) 3.32 1.52 0.0
assign (resid    6 and name  HD2 ) (resid    6 and name  HB2 ) 4.36 2.56 0.0
assign (resid    6 and name  HD2 ) (resid    6 and name  HB1 ) 5.05 3.25 0.0
assign (resid    6 and name  HD2 ) (resid    6 and name  HG2 ) 4.48 2.68 0.0
assign (resid    6 and name  HD2 ) (resid    6 and name  HG1 ) 3.60 1.80 0.0
assign (resid    6 and name  HD1 ) (resid    6 and name  HB2 ) 5.23 3.43 0.0
assign (resid    6 and name  HD1 ) (resid    6 and name  HB1 ) 4.81 3.01 0.0
assign (resid    6 and name  HD1 ) (resid    6 and name  HG2 ) 3.96 2.16 0.0
assign (resid    6 and name  HD1 ) (resid    6 and name  HG1 ) 3.78 1.98 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HG2 ) 3.95 2.15 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HB# ) 3.64 1.84 0.0
assign (resid    7 and name  HG2 ) (resid    7 and name  HG1 ) 2.64 0.84 0.0
assign (resid    7 and name   HN ) (resid    7 and name   HA ) 3.06 1.26 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HG2 ) 4.33 2.53 0.0 
assign (resid    7 and name   HN ) (resid    7 and name  HB# ) 3.65 1.85 0.0
assign (resid    7 and name  HB# ) (resid    7 and name  HG2 ) 3.04 1.24 0.0
assign (resid    8 and name   HA ) (resid    8 and name  HB2 ) 4.33 2.53 0.0
assign (resid    8 and name   HA ) (resid    8 and name  HB1 ) 3.63 1.83 0.0
assign (resid    8 and name   HN ) (resid    8 and name   HA ) 3.73 1.93 0.0
assign (resid    8 and name   HN ) (resid    8 and name  HB2 ) 3.67 1.87 0.0
assign (resid    8 and name   HN ) (resid    8 and name  HB1 ) 3.81 2.01 0.0 
assign (resid    9 and name   HA ) (resid    9 and name  HG2 ) 5.28 3.48 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HG1 ) 5.09 3.29 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HB# ) 3.50 1.70 0.0
assign (resid    9 and name  HG2 ) (resid    9 and name  HD2 ) 3.63 1.83 0.0
assign (resid    9 and name  HG2 ) (resid    9 and name  HG1 ) 2.75 0.95 0.0
assign (resid    9 and name   HN ) (resid    9 and name   HA ) 3.75 1.95 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HG2 ) 4.66 2.86 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HG1 ) 4.29 2.49 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HB# ) 3.47 1.67 0.0
assign (resid    9 and name  HB# ) (resid    9 and name  HG2 ) 3.42 1.62 0.0
assign (resid   10 and name   HA ) (resid   10 and name  HB2 ) 3.40 1.60 0.0
assign (resid   10 and name   HA ) (resid   10 and name  HB1 ) 3.32 1.52 0.0
assign (resid   10 and name  HB2 ) (resid   10 and name  HD# ) 3.14 1.34 0.0
assign (resid   10 and name  HB2 ) (resid   10 and name  HE# ) 4.40 2.60 0.0
assign (resid   10 and name  HB1 ) (resid   10 and name  HB2 ) 2.47 0.67 0.0
assign (resid   10 and name  HB1 ) (resid   10 and name  HD# ) 3.16 1.36 0.0
assign (resid   10 and name  HB1 ) (resid   10 and name  HE# ) 4.40 2.60 0.0
assign (resid   10 and name   HN ) (resid   10 and name   HA ) 4.01 2.21 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HB2 ) 3.98 2.18 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HB1 ) 4.15 2.35 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HD# ) 5.50 3.70 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HB2 ) 4.17 2.37 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HB1 ) 3.68 1.88 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HG2 ) 4.18 2.38 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HG1 ) 4.11 2.31 0.0
assign (resid   11 and name   HN ) (resid   11 and name   HA ) 3.67 1.87 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HB2 ) 3.70 1.90 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HB1 ) 4.10 2.30 0.0
assign (resid   11 and name   HN ) (resid   11 and name   HE ) 4.91 3.11 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HG2 ) 4.28 2.48 0.0
assign (resid   12 and name   HA ) (resid   12 and name  HB# ) 2.88 1.08 0.0
assign (resid   12 and name   HN ) (resid   12 and name   HA ) 3.56 1.76 0.0
assign (resid   12 and name   HN ) (resid   12 and name  HB# ) 3.54 1.74 0.0
assign (resid   13 and name   HN ) (resid   13 and name   HA ) 3.62 1.82 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HG1 ) 4.48 2.68 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HB# ) 5.01 3.21 0.0

assign (resid    3 and name  HB2 ) (resid    4 and name   HN ) 4.60 2.80 0.0
assign (resid    3 and name  HB1 ) (resid    4 and name   HN ) 4.79 2.99 0.0
assign (resid    4 and name   HA ) (resid    5 and name   HN ) 4.14 2.34 0.0
assign (resid    4 and name   HN ) (resid    5 and name   HN ) 4.07 2.27 0.0 
assign (resid    5 and name   HA ) (resid    6 and name  HD2 ) 4.56 2.76 0.0
assign (resid    5 and name   HA ) (resid    6 and name  HD1 ) 3.78 1.98 0.0
assign (resid    5 and name  HB1 ) (resid    6 and name  HD2 ) 4.57 2.77 0.0
assign (resid    5 and name  HB1 ) (resid    6 and name  HD1 ) 3.71 1.91 0.0 
assign (resid    6 and name   HA ) (resid    7 and name   HN ) 3.55 1.75 0.0
assign (resid    6 and name  HB2 ) (resid    7 and name   HN ) 4.06 2.26 0.0
assign (resid    6 and name  HB1 ) (resid    7 and name   HN ) 5.39 3.59 0.0
assign (resid    6 and name  HD2 ) (resid    7 and name   HN ) 4.54 2.74 0.0
assign (resid    7 and name   HA ) (resid    8 and name   HN ) 3.82 2.02 0.0
assign (resid    7 and name  HG2 ) (resid    8 and name   HN ) 4.35 2.55 0.0 
assign (resid    7 and name   HN ) (resid    8 and name   HN ) 3.71 1.91 0.0
assign (resid    7 and name  HB# ) (resid    8 and name   HN ) 4.56 2.76 0.0
assign (resid    8 and name   HA ) (resid    9 and name   HN ) 3.54 1.74 0.0
assign (resid    8 and name  HB2 ) (resid    9 and name   HA ) 5.94 4.14 0.0 
assign (resid    8 and name  HB2 ) (resid    9 and name   HN ) 5.05 3.25 0.0
assign (resid    8 and name  HB1 ) (resid    9 and name   HN ) 4.91 3.11 0.0
assign (resid    8 and name   HN ) (resid    9 and name   HN ) 4.53 2.73 0.0 
assign (resid    9 and name   HA ) (resid   10 and name   HN ) 4.38 2.58 0.0
assign (resid    9 and name  HD1 ) (resid   10 and name  HB2 ) 4.52 2.72 0.0 
assign (resid    9 and name  HG2 ) (resid   10 and name   HN ) 5.50 3.70 0.0
assign (resid    9 and name  HG2 ) (resid   10 and name  HD# ) 5.05 3.25 0.0
assign (resid    9 and name  HG1 ) (resid   10 and name   HN ) 5.28 3.48 0.0
assign (resid    9 and name  HG1 ) (resid   10 and name  HD# ) 5.74 3.94 0.0 
assign (resid    9 and name   HN ) (resid   10 and name   HN ) 4.54 2.74 0.0 
assign (resid    9 and name  HB# ) (resid   10 and name   HN ) 4.79 2.99 0.0
assign (resid    9 and name  HB# ) (resid   10 and name  HD# ) 5.18 3.38 0.0 
assign (resid   10 and name   HA ) (resid   11 and name   HN ) 3.57 1.77 0.0
assign (resid   10 and name  HB2 ) (resid   11 and name   HE ) 3.63 1.83 0.0 
assign (resid   10 and name  HB2 ) (resid   11 and name   HN ) 4.15 2.35 0.0
assign (resid   10 and name  HB1 ) (resid   11 and name   HE ) 3.56 1.76 0.0
assign (resid   10 and name  HB1 ) (resid   11 and name   HN ) 4.02 2.22 0.0
assign (resid   10 and name   HN ) (resid   11 and name   HE ) 4.85 3.05 0.0 
assign (resid   10 and name   HN ) (resid   11 and name   HN ) 4.48 2.68 0.0
assign (resid   11 and name   HA ) (resid   12 and name   HN ) 3.51 1.71 0.0 
assign (resid   11 and name   HN ) (resid   12 and name   HN ) 4.42 2.62 0.0 
assign (resid   12 and name   HA ) (resid   13 and name   HN ) 3.73 1.93 0.0
assign (resid   12 and name   HN ) (resid   13 and name   HN ) 5.05 3.25 0.0
assign (resid   12 and name  HB# ) (resid   13 and name   HN ) 4.10 2.30 0.0


assign (resid    1 and name  HA1 ) (resid    3 and name   HN ) 4.68 2.88 0.0
assign (resid    1 and name  HA2 ) (resid    3 and name  HB2 ) 4.77 3.97 0.0 
assign (resid    1 and name  HA2 ) (resid    3 and name   HN ) 4.46 2.66 0.0
assign (resid    5 and name  HB2 ) (resid    7 and name   HN ) 4.66 2.86 0.0 
assign (resid    5 and name  HB2 ) (resid    8 and name   HN ) 5.33 3.53 0.0 


!Phi angle restraints                                                       
                                                                            
                                                                            
assign (resid  2 and name C  ) (resid  3 and name N )                       
       (resid  3 and name CA ) (resid  3 and name C ) 1.0  -60.0  30.0 2    
assign (resid  3 and name C  ) (resid  4 and name N )                       
       (resid  4 and name CA ) (resid  4 and name C ) 1.0  -60.0  30.0 2    
                                                                            
assign (resid  4 and name C  ) (resid  5 and name N )                       
       (resid  5 and name CA ) (resid  5 and name C ) 1.0 -90  40.0 2       
                                                                            
                                                                            
assign (resid  8 and name C  ) (resid  9 and name N )                       
       (resid  9 and name CA ) (resid  9 and name C ) 1.0 -60.0  40.0 2     
                                                                            
assign (resid  9 and name C  ) (resid  10 and name N )                      
       (resid  10 and name CA ) (resid  10 and name C ) 1.0 -60.0  30.0 2   
                                                                            
assign (resid  10 and name C  ) (resid  11 and name N )                     
       (resid  11 and name CA ) (resid  11 and name C ) 1.0 -60.0  30.0 2   
                                                                            
assign (resid  11 and name C  ) (resid  12 and name N )                     
       (resid  12 and name CA ) (resid  12 and name C ) 1.0 -60.0  30.0 2   
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H1       GLY   1  -0.354   5.676  -8.401
    2    HA2  GLY   1           2HA      GLY   1   0.741   5.335  -5.645
    3    HA3  GLY   1           1HA      GLY   1  -0.934   5.735  -6.024
    4    H    CYS   2           H        CYS   2  -0.310   3.616  -4.326
    5    HA   CYS   2           HA       CYS   2  -1.823   1.461  -5.436
    6    HB2  CYS   2           2HB      CYS   2   0.616   1.571  -6.591
    7    HB3  CYS   2           1HB      CYS   2   1.028   0.619  -5.166
    8    H    CYS   3           H        CYS   3   0.823   2.346  -3.253
    9    HA   CYS   3           HA       CYS   3   0.637   0.360  -1.283
   10    HB2  CYS   3           2HB      CYS   3   1.878   2.814  -1.697
   11    HB3  CYS   3           1HB      CYS   3   0.906   3.089  -0.246
   12    H    SER   4           H        SER   4  -1.294   3.350  -1.583
   13    HA   SER   4           HA       SER   4  -2.820   3.194   0.770
   14    HB2  SER   4           2HB      SER   4  -4.187   4.756  -0.328
   15    HB3  SER   4           1HB      SER   4  -2.682   4.890  -1.232
   16    HG   SER   4           HG       SER   4  -5.123   4.062  -2.049
   17    H    GLU   5           H        GLU   5  -3.134   1.354  -2.228
   18    HA   GLU   5           HA       GLU   5  -5.681   0.135  -1.355
   19    HB2  GLU   5           2HB      GLU   5  -4.023   0.374  -3.789
   20    HB3  GLU   5           1HB      GLU   5  -4.870  -1.166  -3.625
   21    HG2  GLU   5           2HG      GLU   5  -6.975   0.167  -3.135
   22    HG3  GLU   5           1HG      GLU   5  -6.081   1.609  -3.621
   23    HA   PRO   6           HA       PRO   6  -3.902  -3.458   0.411
   24    HB2  PRO   6           2HB      PRO   6  -5.737  -5.360  -0.305
   25    HB3  PRO   6           1HB      PRO   6  -6.054  -4.122   0.931
   26    HG2  PRO   6           2HG      PRO   6  -6.926  -4.228  -1.911
   27    HG3  PRO   6           1HG      PRO   6  -7.798  -3.653  -0.483
   28    HD2  PRO   6           2HD      PRO   6  -6.599  -1.998  -2.297
   29    HD3  PRO   6           1HD      PRO   6  -6.868  -1.571  -0.593
   30    H    ARG   7           H        ARG   7  -4.673  -3.500  -3.021
   31    HA   ARG   7           HA       ARG   7  -3.495  -5.984  -3.761
   32    HB2  ARG   7           2HB      ARG   7  -4.810  -4.893  -5.366
   33    HB3  ARG   7           1HB      ARG   7  -4.042  -3.333  -5.073
   34    HG2  ARG   7           2HG      ARG   7  -2.096  -3.932  -6.277
   35    HG3  ARG   7           1HG      ARG   7  -2.488  -5.655  -6.221
   36    HD2  ARG   7           2HD      ARG   7  -4.395  -5.303  -7.725
   37    HD3  ARG   7           1HD      ARG   7  -4.083  -3.556  -7.738
   38    HE   ARG   7           HE       ARG   7  -1.644  -4.671  -8.443
   39   HH11  ARG   7          1HH2      ARG   7  -4.904  -4.899  -9.560
   40   HH12  ARG   7          2HH2      ARG   7  -4.456  -5.192 -11.205
   41   HH21  ARG   7          1HH1      ARG   7  -1.049  -5.052 -10.590
   42   HH22  ARG   7          2HH1      ARG   7  -2.278  -5.275 -11.789
   43    H    CYS   8           H        CYS   8  -2.044  -2.827  -3.089
   44    HA   CYS   8           HA       CYS   8   0.641  -3.949  -3.799
   45    HB2  CYS   8           2HB      CYS   8  -0.657  -1.254  -3.797
   46    HB3  CYS   8           1HB      CYS   8   1.087  -1.329  -3.543
   47    H    ARG   9           H        ARG   9   0.370  -5.090  -1.565
   48    HA   ARG   9           HA       ARG   9   0.451  -3.542   0.860
   49    HB2  ARG   9           2HB      ARG   9  -0.215  -5.934   0.612
   50    HB3  ARG   9           1HB      ARG   9   1.459  -6.342   0.242
   51    HG2  ARG   9           2HG      ARG   9   2.134  -5.380   2.448
   52    HG3  ARG   9           1HG      ARG   9   0.424  -5.120   2.809
   53    HD2  ARG   9           2HD      ARG   9  -0.001  -7.549   2.587
   54    HD3  ARG   9           1HD      ARG   9   1.720  -7.812   2.238
   55    HE   ARG   9           HE       ARG   9   1.515  -6.281   4.636
   56   HH11  ARG   9          1HH2      ARG   9   0.846  -9.423   3.365
   57   HH12  ARG   9          2HH2      ARG   9   1.067 -10.225   4.883
   58   HH21  ARG   9          1HH1      ARG   9   1.804  -7.322   6.623
   59   HH22  ARG   9          2HH1      ARG   9   1.611  -9.040   6.722
   60    H    TYR  10           H        TYR  10   3.129  -5.697  -0.049
   61    HA   TYR  10           HA       TYR  10   5.059  -3.687   0.940
   62    HB2  TYR  10           2HB      TYR  10   4.984  -6.610   0.291
   63    HB3  TYR  10           1HB      TYR  10   6.554  -5.804   0.288
   64    HD1  TYR  10           1HD      TYR  10   3.862  -4.561   2.434
   65    HD2  TYR  10           2HD      TYR  10   7.293  -7.131   2.223
   66    HE1  TYR  10           1HE      TYR  10   3.915  -4.696   4.906
   67    HE2  TYR  10           2HE      TYR  10   7.346  -7.264   4.692
   68    HH   TYR  10           HH       TYR  10   6.229  -5.353   6.662
   69    H    ARG  11           H        ARG  11   3.629  -4.445  -2.010
   70    HA   ARG  11           HA       ARG  11   5.897  -4.263  -3.795
   71    HB2  ARG  11           2HB      ARG  11   2.970  -4.423  -3.866
   72    HB3  ARG  11           1HB      ARG  11   3.641  -3.472  -5.191
   73    HG2  ARG  11           2HG      ARG  11   3.757  -5.602  -6.108
   74    HG3  ARG  11           1HG      ARG  11   5.345  -5.497  -5.347
   75    HD2  ARG  11           2HD      ARG  11   2.991  -6.574  -3.794
   76    HD3  ARG  11           1HD      ARG  11   3.927  -7.629  -4.873
   77    HE   ARG  11           HE       ARG  11   5.631  -6.015  -3.152
   78   HH11  ARG  11          1HH2      ARG  11   3.705  -8.872  -3.417
   79   HH12  ARG  11          2HH2      ARG  11   4.591  -9.735  -2.205
   80   HH21  ARG  11          1HH1      ARG  11   6.793  -7.132  -1.574
   81   HH22  ARG  11          2HH1      ARG  11   6.337  -8.751  -1.162
   82    H    CYS  12           H        CYS  12   3.266  -1.913  -3.203
   83    HA   CYS  12           HA       CYS  12   4.124   0.296  -4.580
   84    HB2  CYS  12           2HB      CYS  12   3.100   1.610  -2.695
   85    HB3  CYS  12           1HB      CYS  12   2.116   0.241  -3.210
   86    H    ARG  13           H        ARG  13   5.988   1.471  -4.640
   87    HA   ARG  13           HA       ARG  13   8.046   1.062  -2.555
   88    HB2  ARG  13           2HB      ARG  13   8.031   1.347  -5.295
   89    HB3  ARG  13           1HB      ARG  13   8.513   2.959  -4.765
   90    HG2  ARG  13           2HG      ARG  13  10.051   1.427  -3.127
   91    HG3  ARG  13           1HG      ARG  13   9.970   0.389  -4.553
   92    HD2  ARG  13           2HD      ARG  13  10.943   3.262  -4.427
   93    HD3  ARG  13           1HD      ARG  13  11.869   1.824  -4.898
   94    HE   ARG  13           HE       ARG  13   9.596   1.925  -6.577
   95   HH11  ARG  13          1HH2      ARG  13  12.420   3.773  -5.844
   96   HH12  ARG  13          2HH2      ARG  13  12.561   4.431  -7.439
   97   HH21  ARG  13          1HH1      ARG  13   9.769   2.777  -8.660
   98   HH22  ARG  13          2HH1      ARG  13  11.060   3.869  -9.031
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1   0.972   7.119  -6.674
    2    HA2  GLY   1           2HA      GLY   1   2.027   4.976  -5.221
    3    HA3  GLY   1           1HA      GLY   1   0.913   6.156  -4.529
    4    H    CYS   2           H        CYS   2   1.291   2.929  -4.949
    5    HA   CYS   2           HA       CYS   2  -1.642   2.430  -5.224
    6    HB2  CYS   2           2HB      CYS   2  -0.831   0.144  -5.912
    7    HB3  CYS   2           1HB      CYS   2  -0.311   1.436  -6.988
    8    H    CYS   3           H        CYS   3   1.054   2.288  -3.088
    9    HA   CYS   3           HA       CYS   3   0.554   0.091  -1.422
   10    HB2  CYS   3           2HB      CYS   3   2.192   2.274  -1.449
   11    HB3  CYS   3           1HB      CYS   3   1.137   2.673  -0.089
   12    H    SER   4           H        SER   4  -1.357   2.977  -1.852
   13    HA   SER   4           HA       SER   4  -2.798   3.023   0.611
   14    HB2  SER   4           2HB      SER   4  -2.675   4.464  -1.725
   15    HB3  SER   4           1HB      SER   4  -4.258   3.704  -1.865
   16    HG   SER   4           HG       SER   4  -3.413   4.957   0.522
   17    H    GLU   5           H        GLU   5  -3.302   1.154  -2.376
   18    HA   GLU   5           HA       GLU   5  -5.840   0.017  -1.437
   19    HB2  GLU   5           2HB      GLU   5  -4.250   0.207  -3.845
   20    HB3  GLU   5           1HB      GLU   5  -4.743  -1.467  -3.582
   21    HG2  GLU   5           2HG      GLU   5  -7.012   0.071  -2.963
   22    HG3  GLU   5           1HG      GLU   5  -6.348   0.795  -4.429
   23    HA   PRO   6           HA       PRO   6  -4.192  -3.490   0.614
   24    HB2  PRO   6           2HB      PRO   6  -6.049  -5.407   0.008
   25    HB3  PRO   6           1HB      PRO   6  -6.369  -4.068   1.132
   26    HG2  PRO   6           2HG      PRO   6  -7.208  -4.410  -1.694
   27    HG3  PRO   6           1HG      PRO   6  -8.065  -3.654  -0.343
   28    HD2  PRO   6           2HD      PRO   6  -6.746  -2.272  -2.329
   29    HD3  PRO   6           1HD      PRO   6  -7.107  -1.623  -0.716
   30    H    ARG   7           H        ARG   7  -4.294  -3.331  -2.756
   31    HA   ARG   7           HA       ARG   7  -3.285  -6.055  -3.266
   32    HB2  ARG   7           2HB      ARG   7  -4.844  -4.605  -4.725
   33    HB3  ARG   7           1HB      ARG   7  -3.393  -3.698  -5.157
   34    HG2  ARG   7           2HG      ARG   7  -2.495  -6.228  -5.520
   35    HG3  ARG   7           1HG      ARG   7  -4.201  -6.446  -5.921
   36    HD2  ARG   7           2HD      ARG   7  -4.092  -5.002  -7.753
   37    HD3  ARG   7           1HD      ARG   7  -2.709  -4.108  -7.092
   38    HE   ARG   7           HE       ARG   7  -1.702  -6.653  -7.405
   39   HH11  ARG   7          1HH2      ARG   7  -3.406  -4.435  -9.432
   40   HH12  ARG   7          2HH2      ARG   7  -2.665  -4.998 -10.892
   41   HH21  ARG   7          1HH1      ARG   7  -0.729  -7.395  -9.302
   42   HH22  ARG   7          2HH1      ARG   7  -1.152  -6.673 -10.819
   43    H    CYS   8           H        CYS   8  -2.055  -2.700  -3.523
   44    HA   CYS   8           HA       CYS   8   0.679  -3.625  -4.081
   45    HB2  CYS   8           2HB      CYS   8  -0.852  -1.388  -4.600
   46    HB3  CYS   8           1HB      CYS   8   0.205  -0.822  -3.309
   47    H    ARG   9           H        ARG   9   0.017  -4.771  -1.681
   48    HA   ARG   9           HA       ARG   9   0.376  -3.306   0.696
   49    HB2  ARG   9           2HB      ARG   9  -0.376  -5.645   0.490
   50    HB3  ARG   9           1HB      ARG   9   1.236  -6.125  -0.037
   51    HG2  ARG   9           2HG      ARG   9   2.059  -5.059   2.170
   52    HG3  ARG   9           1HG      ARG   9   0.363  -5.116   2.662
   53    HD2  ARG   9           2HD      ARG   9   1.976  -7.517   1.723
   54    HD3  ARG   9           1HD      ARG   9   1.570  -7.154   3.411
   55    HE   ARG   9           HE       ARG   9  -0.294  -8.143   1.381
   56   HH11  ARG   9          1HH2      ARG   9   0.136  -6.368   4.316
   57   HH12  ARG   9          2HH2      ARG   9  -1.486  -6.629   4.861
   58   HH21  ARG   9          1HH1      ARG   9  -2.413  -8.481   2.085
   59   HH22  ARG   9          2HH1      ARG   9  -2.925  -7.822   3.602
   60    H    TYR  10           H        TYR  10   2.969  -5.566  -0.026
   61    HA   TYR  10           HA       TYR  10   4.962  -3.549   0.802
   62    HB2  TYR  10           2HB      TYR  10   4.843  -6.520   0.328
   63    HB3  TYR  10           1HB      TYR  10   6.404  -5.718   0.488
   64    HD1  TYR  10           1HD      TYR  10   3.876  -3.985   2.308
   65    HD2  TYR  10           2HD      TYR  10   6.497  -7.381   2.485
   66    HE1  TYR  10           1HE      TYR  10   3.634  -4.047   4.773
   67    HE2  TYR  10           2HE      TYR  10   6.256  -7.441   4.941
   68    HH   TYR  10           HH       TYR  10   3.950  -6.195   6.600
   69    H    ARG  11           H        ARG  11   3.585  -4.452  -2.124
   70    HA   ARG  11           HA       ARG  11   6.032  -4.414  -3.753
   71    HB2  ARG  11           2HB      ARG  11   3.078  -4.347  -4.442
   72    HB3  ARG  11           1HB      ARG  11   4.385  -4.647  -5.589
   73    HG2  ARG  11           2HG      ARG  11   3.834  -6.340  -3.134
   74    HG3  ARG  11           1HG      ARG  11   3.329  -6.757  -4.772
   75    HD2  ARG  11           2HD      ARG  11   5.401  -7.518  -5.298
   76    HD3  ARG  11           1HD      ARG  11   6.168  -6.052  -4.654
   77    HE   ARG  11           HE       ARG  11   6.480  -7.186  -2.602
   78   HH11  ARG  11          1HH2      ARG  11   4.097  -8.722  -4.576
   79   HH12  ARG  11          2HH2      ARG  11   3.914 -10.083  -3.523
   80   HH21  ARG  11          1HH1      ARG  11   6.253  -8.959  -1.224
   81   HH22  ARG  11          2HH1      ARG  11   5.133 -10.218  -1.628
   82    H    CYS  12           H        CYS  12   4.099  -2.023  -2.322
   83    HA   CYS  12           HA       CYS  12   4.186  -0.043  -4.463
   84    HB2  CYS  12           2HB      CYS  12   3.313   1.415  -2.699
   85    HB3  CYS  12           1HB      CYS  12   2.508  -0.153  -2.612
   86    H    ARG  13           H        ARG  13   6.757  -0.919  -4.371
   87    HA   ARG  13           HA       ARG  13   8.998  -0.341  -3.884
   88    HB2  ARG  13           2HB      ARG  13   8.685   1.330  -5.450
   89    HB3  ARG  13           1HB      ARG  13   7.334   2.042  -4.571
   90    HG2  ARG  13           2HG      ARG  13   9.197   3.578  -4.453
   91    HG3  ARG  13           1HG      ARG  13   8.967   2.860  -2.860
   92    HD2  ARG  13           2HD      ARG  13  10.961   1.721  -2.941
   93    HD3  ARG  13           1HD      ARG  13  10.822   1.411  -4.684
   94    HE   ARG  13           HE       ARG  13  11.109   4.169  -4.502
   95   HH11  ARG  13          1HH2      ARG  13  12.856   1.392  -3.417
   96   HH12  ARG  13          2HH2      ARG  13  14.398   2.175  -3.498
   97   HH21  ARG  13          1HH1      ARG  13  13.112   5.195  -4.609
   98   HH22  ARG  13          2HH1      ARG  13  14.545   4.324  -4.170
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1   1.761   6.467  -6.693
    2    HA2  GLY   1           2HA      GLY   1   1.867   5.273  -4.256
    3    HA3  GLY   1           1HA      GLY   1   0.537   6.364  -4.652
    4    H    CYS   2           H        CYS   2   1.498   2.945  -5.128
    5    HA   CYS   2           HA       CYS   2  -1.354   2.168  -5.281
    6    HB2  CYS   2           2HB      CYS   2  -0.431   0.060  -6.020
    7    HB3  CYS   2           1HB      CYS   2   0.485   1.337  -6.813
    8    H    CYS   3           H        CYS   3   1.326   2.142  -3.033
    9    HA   CYS   3           HA       CYS   3   0.799   0.061  -1.279
   10    HB2  CYS   3           2HB      CYS   3   2.336   2.316  -1.307
   11    HB3  CYS   3           1HB      CYS   3   1.191   2.716  -0.024
   12    H    SER   4           H        SER   4  -1.207   2.874  -1.872
   13    HA   SER   4           HA       SER   4  -2.747   3.108   0.439
   14    HB2  SER   4           2HB      SER   4  -2.884   3.811  -2.299
   15    HB3  SER   4           1HB      SER   4  -4.433   3.069  -1.908
   16    HG   SER   4           HG       SER   4  -4.658   5.156  -1.314
   17    H    GLU   5           H        GLU   5  -3.915   1.155  -2.321
   18    HA   GLU   5           HA       GLU   5  -5.724  -0.389  -0.690
   19    HB2  GLU   5           2HB      GLU   5  -6.014  -1.639  -2.798
   20    HB3  GLU   5           1HB      GLU   5  -5.974   0.093  -3.106
   21    HG2  GLU   5           2HG      GLU   5  -3.397  -0.301  -3.422
   22    HG3  GLU   5           1HG      GLU   5  -3.876  -1.978  -3.683
   23    HA   PRO   6           HA       PRO   6  -3.090  -3.690   0.526
   24    HB2  PRO   6           2HB      PRO   6  -4.781  -5.838   0.422
   25    HB3  PRO   6           1HB      PRO   6  -4.935  -4.545   1.630
   26    HG2  PRO   6           2HG      PRO   6  -6.582  -5.106  -0.739
   27    HG3  PRO   6           1HG      PRO   6  -6.996  -4.247   0.749
   28    HD2  PRO   6           2HD      PRO   6  -6.348  -3.117  -1.767
   29    HD3  PRO   6           1HD      PRO   6  -6.608  -2.252  -0.240
   30    H    ARG   7           H        ARG   7  -4.402  -3.691  -2.632
   31    HA   ARG   7           HA       ARG   7  -3.334  -6.201  -3.605
   32    HB2  ARG   7           2HB      ARG   7  -4.021  -3.622  -5.050
   33    HB3  ARG   7           1HB      ARG   7  -3.934  -5.230  -5.771
   34    HG2  ARG   7           2HG      ARG   7  -5.761  -4.715  -3.432
   35    HG3  ARG   7           1HG      ARG   7  -6.273  -4.303  -5.072
   36    HD2  ARG   7           2HD      ARG   7  -5.324  -7.048  -4.168
   37    HD3  ARG   7           1HD      ARG   7  -7.006  -6.594  -4.506
   38    HE   ARG   7           HE       ARG   7  -5.565  -5.819  -6.776
   39   HH11  ARG   7          1HH2      ARG   7  -6.146  -8.711  -4.981
   40   HH12  ARG   7          2HH2      ARG   7  -6.015  -9.746  -6.361
   41   HH21  ARG   7          1HH1      ARG   7  -5.397  -7.161  -8.581
   42   HH22  ARG   7          2HH1      ARG   7  -5.589  -8.872  -8.396
   43    H    CYS   8           H        CYS   8  -1.884  -3.194  -2.791
   44    HA   CYS   8           HA       CYS   8   0.673  -4.091  -4.041
   45    HB2  CYS   8           2HB      CYS   8  -0.633  -2.500  -5.524
   46    HB3  CYS   8           1HB      CYS   8  -0.447  -1.282  -4.263
   47    H    ARG   9           H        ARG   9  -0.826  -3.332  -1.270
   48    HA   ARG   9           HA       ARG   9   0.606  -1.289   0.016
   49    HB2  ARG   9           2HB      ARG   9  -0.352  -2.182   1.941
   50    HB3  ARG   9           1HB      ARG   9  -1.356  -2.933   0.707
   51    HG2  ARG   9           2HG      ARG   9   1.129  -4.300   1.766
   52    HG3  ARG   9           1HG      ARG   9  -0.433  -4.464   2.563
   53    HD2  ARG   9           2HD      ARG   9  -0.812  -4.872  -0.256
   54    HD3  ARG   9           1HD      ARG   9   0.500  -5.923   0.310
   55    HE   ARG   9           HE       ARG   9  -1.692  -5.898   2.195
   56   HH11  ARG   9          1HH2      ARG   9  -0.611  -7.143  -0.839
   57   HH12  ARG   9          2HH2      ARG   9  -1.571  -8.581  -0.736
   58   HH21  ARG   9          1HH1      ARG   9  -2.947  -7.770   2.338
   59   HH22  ARG   9          2HH1      ARG   9  -2.890  -8.936   1.059
   60    H    TYR  10           H        TYR  10   1.567  -4.664  -0.551
   61    HA   TYR  10           HA       TYR  10   4.127  -4.263   0.878
   62    HB2  TYR  10           2HB      TYR  10   2.798  -6.573  -0.566
   63    HB3  TYR  10           1HB      TYR  10   4.392  -6.692   0.176
   64    HD1  TYR  10           1HD      TYR  10   3.856  -4.884   2.575
   65    HD2  TYR  10           2HD      TYR  10   1.611  -8.095   0.820
   66    HE1  TYR  10           1HE      TYR  10   2.818  -5.359   4.770
   67    HE2  TYR  10           2HE      TYR  10   0.572  -8.567   3.015
   68    HH   TYR  10           HH       TYR  10   1.116  -8.206   5.423
   69    H    ARG  11           H        ARG  11   2.902  -4.523  -2.432
   70    HA   ARG  11           HA       ARG  11   5.600  -4.669  -3.600
   71    HB2  ARG  11           2HB      ARG  11   2.747  -4.601  -4.540
   72    HB3  ARG  11           1HB      ARG  11   4.042  -4.312  -5.701
   73    HG2  ARG  11           2HG      ARG  11   3.768  -6.637  -5.818
   74    HG3  ARG  11           1HG      ARG  11   5.104  -6.469  -4.679
   75    HD2  ARG  11           2HD      ARG  11   2.811  -6.283  -3.078
   76    HD3  ARG  11           1HD      ARG  11   2.454  -7.587  -4.227
   77    HE   ARG  11           HE       ARG  11   4.562  -7.633  -2.198
   78   HH11  ARG  11          1HH2      ARG  11   3.469  -8.756  -5.276
   79   HH12  ARG  11          2HH2      ARG  11   4.403 -10.213  -5.220
   80   HH21  ARG  11          1HH1      ARG  11   5.784  -9.533  -2.115
   81   HH22  ARG  11          2HH1      ARG  11   5.712 -10.651  -3.435
   82    H    CYS  12           H        CYS  12   3.714  -2.183  -2.332
   83    HA   CYS  12           HA       CYS  12   4.179  -0.090  -4.269
   84    HB2  CYS  12           2HB      CYS  12   3.385   1.330  -2.464
   85    HB3  CYS  12           1HB      CYS  12   2.448  -0.163  -2.440
   86    H    ARG  13           H        ARG  13   6.198  -1.638  -1.934
   87    HA   ARG  13           HA       ARG  13   8.070   0.643  -1.713
   88    HB2  ARG  13           2HB      ARG  13   7.358  -1.718  -0.255
   89    HB3  ARG  13           1HB      ARG  13   9.079  -1.799  -0.631
   90    HG2  ARG  13           2HG      ARG  13   7.938   0.780   0.385
   91    HG3  ARG  13           1HG      ARG  13   8.259  -0.524   1.530
   92    HD2  ARG  13           2HD      ARG  13  10.600  -0.652   0.376
   93    HD3  ARG  13           1HD      ARG  13  10.215   0.982  -0.200
   94    HE   ARG  13           HE       ARG  13  10.379   1.756   2.032
   95   HH11  ARG  13          1HH2      ARG  13  10.103  -1.684   1.860
   96   HH12  ARG  13          2HH2      ARG  13  10.380  -1.918   3.553
   97   HH21  ARG  13          1HH1      ARG  13  10.734   1.461   4.240
   98   HH22  ARG  13          2HH1      ARG  13  10.740  -0.140   4.898
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1   3.326   2.698  -7.567
    2    HA2  GLY   1           2HA      GLY   1   3.789   3.755  -4.805
    3    HA3  GLY   1           1HA      GLY   1   3.369   4.773  -6.185
    4    H    CYS   2           H        CYS   2   2.001   1.721  -4.910
    5    HA   CYS   2           HA       CYS   2  -0.637   3.116  -4.750
    6    HB2  CYS   2           2HB      CYS   2  -1.379   0.609  -5.341
    7    HB3  CYS   2           1HB      CYS   2  -1.000   1.779  -6.596
    8    H    CYS   3           H        CYS   3   1.425   2.477  -2.650
    9    HA   CYS   3           HA       CYS   3   0.979   0.313  -1.006
   10    HB2  CYS   3           2HB      CYS   3   2.410   2.418  -0.684
   11    HB3  CYS   3           1HB      CYS   3   0.961   3.176  -0.014
   12    H    SER   4           H        SER   4  -1.176   3.112  -1.406
   13    HA   SER   4           HA       SER   4  -3.026   2.861   0.611
   14    HB2  SER   4           2HB      SER   4  -3.104   4.474  -1.251
   15    HB3  SER   4           1HB      SER   4  -3.555   3.183  -2.361
   16    HG   SER   4           HG       SER   4  -5.245   4.602  -1.235
   17    H    GLU   5           H        GLU   5  -3.844   1.313  -2.501
   18    HA   GLU   5           HA       GLU   5  -5.747  -0.492  -1.496
   19    HB2  GLU   5           2HB      GLU   5  -3.805  -0.702  -3.818
   20    HB3  GLU   5           1HB      GLU   5  -5.215  -1.743  -3.616
   21    HG2  GLU   5           2HG      GLU   5  -6.251   0.810  -3.271
   22    HG3  GLU   5           1HG      GLU   5  -5.073   1.020  -4.567
   23    HA   PRO   6           HA       PRO   6  -3.348  -3.462   0.695
   24    HB2  PRO   6           2HB      PRO   6  -5.109  -5.557   0.637
   25    HB3  PRO   6           1HB      PRO   6  -5.337  -4.130   1.672
   26    HG2  PRO   6           2HG      PRO   6  -6.631  -4.822  -0.912
   27    HG3  PRO   6           1HG      PRO   6  -7.305  -4.010   0.510
   28    HD2  PRO   6           2HD      PRO   6  -6.516  -2.713  -1.777
   29    HD3  PRO   6           1HD      PRO   6  -6.599  -1.953  -0.173
   30    H    ARG   7           H        ARG   7  -4.545  -4.032  -2.532
   31    HA   ARG   7           HA       ARG   7  -3.227  -6.566  -3.007
   32    HB2  ARG   7           2HB      ARG   7  -5.175  -5.552  -4.254
   33    HB3  ARG   7           1HB      ARG   7  -4.049  -4.386  -4.952
   34    HG2  ARG   7           2HG      ARG   7  -2.750  -6.752  -5.428
   35    HG3  ARG   7           1HG      ARG   7  -4.440  -7.237  -5.594
   36    HD2  ARG   7           2HD      ARG   7  -3.773  -4.666  -6.905
   37    HD3  ARG   7           1HD      ARG   7  -2.999  -6.094  -7.619
   38    HE   ARG   7           HE       ARG   7  -5.818  -6.521  -6.992
   39   HH11  ARG   7          1HH2      ARG   7  -3.511  -5.333  -9.274
   40   HH12  ARG   7          2HH2      ARG   7  -4.556  -5.549 -10.636
   41   HH21  ARG   7          1HH1      ARG   7  -7.188  -6.806  -8.765
   42   HH22  ARG   7          2HH1      ARG   7  -6.634  -6.381 -10.350
   43    H    CYS   8           H        CYS   8  -2.224  -3.215  -3.073
   44    HA   CYS   8           HA       CYS   8   0.425  -4.029  -4.224
   45    HB2  CYS   8           2HB      CYS   8  -0.692  -2.469  -5.651
   46    HB3  CYS   8           1HB      CYS   8  -1.210  -1.482  -4.285
   47    H    ARG   9           H        ARG   9  -1.046  -3.390  -1.335
   48    HA   ARG   9           HA       ARG   9   0.387  -1.486   0.088
   49    HB2  ARG   9           2HB      ARG   9  -0.044  -2.953   2.028
   50    HB3  ARG   9           1HB      ARG   9  -1.431  -2.941   0.938
   51    HG2  ARG   9           2HG      ARG   9  -1.273  -5.203   1.012
   52    HG3  ARG   9           1HG      ARG   9   0.092  -4.994  -0.090
   53    HD2  ARG   9           2HD      ARG   9   0.788  -6.381   1.819
   54    HD3  ARG   9           1HD      ARG   9   1.605  -4.809   1.916
   55    HE   ARG   9           HE       ARG   9  -0.987  -4.875   3.277
   56   HH11  ARG   9          1HH2      ARG   9   2.421  -5.417   3.477
   57   HH12  ARG   9          2HH2      ARG   9   2.482  -5.202   5.193
   58   HH21  ARG   9          1HH1      ARG   9  -0.915  -4.590   5.509
   59   HH22  ARG   9          2HH1      ARG   9   0.597  -4.735   6.343
   60    H    TYR  10           H        TYR  10   1.611  -4.474  -1.252
   61    HA   TYR  10           HA       TYR  10   3.936  -4.806   0.390
   62    HB2  TYR  10           2HB      TYR  10   2.950  -5.658  -2.301
   63    HB3  TYR  10           1HB      TYR  10   4.659  -5.915  -1.932
   64    HD1  TYR  10           2HD      TYR  10   1.238  -6.442  -0.511
   65    HD2  TYR  10           1HD      TYR  10   5.310  -7.792  -0.693
   66    HE1  TYR  10           2HE      TYR  10   0.639  -8.430   0.838
   67    HE2  TYR  10           1HE      TYR  10   4.710  -9.783   0.655
   68    HH   TYR  10           HH       TYR  10   1.598 -10.812   1.127
   69    H    ARG  11           H        ARG  11   3.942  -3.693  -3.013
   70    HA   ARG  11           HA       ARG  11   6.498  -2.315  -2.621
   71    HB2  ARG  11           2HB      ARG  11   4.530  -2.614  -4.904
   72    HB3  ARG  11           1HB      ARG  11   6.062  -1.754  -5.061
   73    HG2  ARG  11           2HG      ARG  11   7.323  -3.679  -4.891
   74    HG3  ARG  11           1HG      ARG  11   6.123  -4.502  -3.892
   75    HD2  ARG  11           2HD      ARG  11   5.663  -3.854  -6.820
   76    HD3  ARG  11           1HD      ARG  11   6.291  -5.415  -6.253
   77    HE   ARG  11           HE       ARG  11   4.109  -5.109  -4.655
   78   HH11  ARG  11          1HH2      ARG  11   4.597  -4.700  -8.054
   79   HH12  ARG  11          2HH2      ARG  11   2.968  -5.112  -8.466
   80   HH21  ARG  11          1HH1      ARG  11   1.985  -5.648  -5.185
   81   HH22  ARG  11          2HH1      ARG  11   1.492  -5.649  -6.845
   82    H    CYS  12           H        CYS  12   5.166  -0.930  -0.847
   83    HA   CYS  12           HA       CYS  12   3.367   1.117  -1.611
   84    HB2  CYS  12           2HB      CYS  12   5.541   0.931   0.493
   85    HB3  CYS  12           1HB      CYS  12   4.379   2.257   0.436
   86    H    ARG  13           H        ARG  13   6.706   1.939  -0.726
   87    HA   ARG  13           HA       ARG  13   7.181   3.278  -3.312
   88    HB2  ARG  13           2HB      ARG  13   5.774   4.698  -1.603
   89    HB3  ARG  13           1HB      ARG  13   7.328   4.922  -0.797
   90    HG2  ARG  13           2HG      ARG  13   8.150   6.245  -2.461
   91    HG3  ARG  13           1HG      ARG  13   7.363   5.300  -3.725
   92    HD2  ARG  13           2HD      ARG  13   5.194   6.421  -2.455
   93    HD3  ARG  13           1HD      ARG  13   6.402   7.716  -2.336
   94    HE   ARG  13           HE       ARG  13   6.302   6.441  -4.969
   95   HH11  ARG  13          1HH2      ARG  13   5.061   8.895  -2.876
   96   HH12  ARG  13          2HH2      ARG  13   4.549   9.921  -4.172
   97   HH21  ARG  13          1HH1      ARG  13   5.636   7.769  -6.665
   98   HH22  ARG  13          2HH1      ARG  13   4.873   9.285  -6.315
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1   4.417   1.837  -6.620
    2    HA2  GLY   1           2HA      GLY   1   3.978   2.804  -3.880
    3    HA3  GLY   1           1HA      GLY   1   3.151   3.380  -5.328
    4    H    CYS   2           H        CYS   2   1.027   2.938  -5.252
    5    HA   CYS   2           HA       CYS   2  -0.994   1.782  -4.908
    6    HB2  CYS   2           2HB      CYS   2   0.149   0.178  -6.353
    7    HB3  CYS   2           1HB      CYS   2   0.987  -0.512  -4.965
    8    H    CYS   3           H        CYS   3   1.211   2.192  -2.511
    9    HA   CYS   3           HA       CYS   3   0.530   0.293  -0.501
   10    HB2  CYS   3           2HB      CYS   3   2.239   2.382  -0.756
   11    HB3  CYS   3           1HB      CYS   3   1.006   3.128   0.266
   12    H    SER   4           H        SER   4  -1.302   2.864  -1.901
   13    HA   SER   4           HA       SER   4  -3.037   3.550   0.268
   14    HB2  SER   4           2HB      SER   4  -3.293   3.516  -2.749
   15    HB3  SER   4           1HB      SER   4  -4.548   4.180  -1.706
   16    HG   SER   4           HG       SER   4  -2.650   5.388  -0.757
   17    H    GLU   5           H        GLU   5  -3.214   0.980  -2.197
   18    HA   GLU   5           HA       GLU   5  -5.603  -0.143  -0.776
   19    HB2  GLU   5           2HB      GLU   5  -4.526  -0.284  -3.597
   20    HB3  GLU   5           1HB      GLU   5  -5.775  -1.392  -3.029
   21    HG2  GLU   5           2HG      GLU   5  -7.168   0.573  -2.377
   22    HG3  GLU   5           1HG      GLU   5  -5.943   1.635  -3.070
   23    HA   PRO   6           HA       PRO   6  -3.230  -3.635   0.432
   24    HB2  PRO   6           2HB      PRO   6  -5.087  -5.642   0.246
   25    HB3  PRO   6           1HB      PRO   6  -5.111  -4.416   1.533
   26    HG2  PRO   6           2HG      PRO   6  -6.735  -4.582  -0.956
   27    HG3  PRO   6           1HG      PRO   6  -7.206  -4.054   0.668
   28    HD2  PRO   6           2HD      PRO   6  -6.661  -2.333  -1.380
   29    HD3  PRO   6           1HD      PRO   6  -6.447  -1.922   0.337
   30    H    ARG   7           H        ARG   7  -4.801  -3.570  -2.672
   31    HA   ARG   7           HA       ARG   7  -4.147  -5.921  -3.963
   32    HB2  ARG   7           2HB      ARG   7  -3.662  -3.073  -4.907
   33    HB3  ARG   7           1HB      ARG   7  -3.838  -4.475  -5.963
   34    HG2  ARG   7           2HG      ARG   7  -6.046  -4.472  -4.160
   35    HG3  ARG   7           1HG      ARG   7  -5.898  -2.843  -4.827
   36    HD2  ARG   7           2HD      ARG   7  -6.153  -3.602  -7.055
   37    HD3  ARG   7           1HD      ARG   7  -5.772  -5.280  -6.618
   38    HE   ARG   7           HE       ARG   7  -7.976  -4.744  -5.067
   39   HH11  ARG   7          1HH2      ARG   7  -7.219  -4.354  -8.415
   40   HH12  ARG   7          2HH2      ARG   7  -8.853  -4.569  -8.942
   41   HH21  ARG   7          1HH1      ARG   7 -10.111  -5.031  -5.744
   42   HH22  ARG   7          2HH1      ARG   7 -10.488  -4.958  -7.434
   43    H    CYS   8           H        CYS   8  -1.921  -3.164  -3.519
   44    HA   CYS   8           HA       CYS   8   0.368  -5.078  -3.519
   45    HB2  CYS   8           2HB      CYS   8   1.274  -2.798  -4.892
   46    HB3  CYS   8           1HB      CYS   8   0.942  -4.373  -5.597
   47    H    ARG   9           H        ARG   9  -0.398  -4.206  -1.161
   48    HA   ARG   9           HA       ARG   9   0.612  -1.572  -0.433
   49    HB2  ARG   9           2HB      ARG   9  -0.697  -2.035   1.357
   50    HB3  ARG   9           1HB      ARG   9  -1.087  -3.566   0.585
   51    HG2  ARG   9           2HG      ARG   9   1.317  -3.172   2.393
   52    HG3  ARG   9           1HG      ARG   9  -0.244  -3.775   2.955
   53    HD2  ARG   9           2HD      ARG   9   0.202  -5.395   0.781
   54    HD3  ARG   9           1HD      ARG   9   1.845  -5.173   1.413
   55    HE   ARG   9           HE       ARG   9  -0.342  -6.536   2.796
   56   HH11  ARG   9          1HH2      ARG   9   2.599  -4.742   3.069
   57   HH12  ARG   9          2HH2      ARG   9   2.990  -5.377   4.631
   58   HH21  ARG   9          1HH1      ARG   9   0.161  -7.368   4.833
   59   HH22  ARG   9          2HH1      ARG   9   1.613  -6.858   5.630
   60    H    TYR  10           H        TYR  10   2.225  -4.290  -1.350
   61    HA   TYR  10           HA       TYR  10   4.350  -4.262   0.701
   62    HB2  TYR  10           2HB      TYR  10   3.581  -5.822  -1.741
   63    HB3  TYR  10           1HB      TYR  10   5.257  -5.905  -1.194
   64    HD1  TYR  10           1HD      TYR  10   5.829  -6.867   0.983
   65    HD2  TYR  10           2HD      TYR  10   1.769  -6.738  -0.409
   66    HE1  TYR  10           1HE      TYR  10   5.182  -8.510   2.721
   67    HE2  TYR  10           2HE      TYR  10   1.121  -8.380   1.331
   68    HH   TYR  10           HH       TYR  10   3.498  -9.586   3.698
   69    H    ARG  11           H        ARG  11   3.922  -3.344  -2.719
   70    HA   ARG  11           HA       ARG  11   6.700  -2.362  -2.894
   71    HB2  ARG  11           2HB      ARG  11   4.442  -2.188  -4.904
   72    HB3  ARG  11           1HB      ARG  11   6.175  -2.154  -5.231
   73    HG2  ARG  11           2HG      ARG  11   4.851  -4.528  -3.904
   74    HG3  ARG  11           1HG      ARG  11   4.967  -4.384  -5.658
   75    HD2  ARG  11           2HD      ARG  11   7.000  -5.395  -5.396
   76    HD3  ARG  11           1HD      ARG  11   7.550  -3.799  -4.848
   77    HE   ARG  11           HE       ARG  11   6.401  -4.884  -2.582
   78   HH11  ARG  11          1HH2      ARG  11   8.773  -5.915  -4.873
   79   HH12  ARG  11          2HH2      ARG  11   9.645  -6.879  -3.730
   80   HH21  ARG  11          1HH1      ARG  11   7.534  -6.142  -1.083
   81   HH22  ARG  11          2HH1      ARG  11   8.947  -7.006  -1.590
   82    H    CYS  12           H        CYS  12   5.396  -0.846  -0.961
   83    HA   CYS  12           HA       CYS  12   4.062   1.504  -1.948
   84    HB2  CYS  12           2HB      CYS  12   5.742   1.089   0.546
   85    HB3  CYS  12           1HB      CYS  12   4.493   2.315   0.320
   86    H    ARG  13           H        ARG  13   5.611   1.922  -3.819
   87    HA   ARG  13           HA       ARG  13   7.203   3.412  -4.750
   88    HB2  ARG  13           2HB      ARG  13   6.447   4.470  -2.304
   89    HB3  ARG  13           1HB      ARG  13   8.202   4.378  -2.163
   90    HG2  ARG  13           2HG      ARG  13   7.975   5.360  -4.686
   91    HG3  ARG  13           1HG      ARG  13   6.538   6.062  -3.945
   92    HD2  ARG  13           2HD      ARG  13   7.903   7.665  -3.094
   93    HD3  ARG  13           1HD      ARG  13   8.578   6.411  -2.034
   94    HE   ARG  13           HE       ARG  13  10.451   6.262  -3.477
   95   HH11  ARG  13          1HH2      ARG  13   7.811   7.946  -4.939
   96   HH12  ARG  13          2HH2      ARG  13   8.725   8.432  -6.328
   97   HH21  ARG  13          1HH1      ARG  13  11.648   6.890  -5.286
   98   HH22  ARG  13          2HH1      ARG  13  10.892   7.836  -6.525
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   1.922   6.725  -5.512
    2    HA2  GLY   1           2HA      GLY   1   1.343   5.687  -3.310
    3    HA3  GLY   1           1HA      GLY   1  -0.126   6.318  -4.058
    4    H    CYS   2           H        CYS   2   1.850   3.400  -4.698
    5    HA   CYS   2           HA       CYS   2  -0.395   1.739  -5.316
    6    HB2  CYS   2           2HB      CYS   2   2.388   1.624  -5.348
    7    HB3  CYS   2           1HB      CYS   2   1.937   0.384  -4.178
    8    H    CYS   3           H        CYS   3   1.331   2.369  -2.274
    9    HA   CYS   3           HA       CYS   3   0.284   0.347  -0.630
   10    HB2  CYS   3           2HB      CYS   3   1.664   2.822  -0.416
   11    HB3  CYS   3           1HB      CYS   3   0.335   2.875   0.747
   12    H    SER   4           H        SER   4  -1.384   3.001  -2.117
   13    HA   SER   4           HA       SER   4  -3.503   3.651  -0.470
   14    HB2  SER   4           2HB      SER   4  -4.763   3.939  -2.556
   15    HB3  SER   4           1HB      SER   4  -3.083   4.400  -2.818
   16    HG   SER   4           HG       SER   4  -3.759   3.041  -4.477
   17    H    GLU   5           H        GLU   5  -3.993   1.088  -2.900
   18    HA   GLU   5           HA       GLU   5  -6.074  -0.173  -1.291
   19    HB2  GLU   5           2HB      GLU   5  -5.958  -1.826  -3.222
   20    HB3  GLU   5           1HB      GLU   5  -6.242  -0.152  -3.695
   21    HG2  GLU   5           2HG      GLU   5  -3.412  -0.579  -3.525
   22    HG3  GLU   5           1HG      GLU   5  -4.114  -1.860  -4.514
   23    HA   PRO   6           HA       PRO   6  -3.587  -3.201   0.689
   24    HB2  PRO   6           2HB      PRO   6  -5.293  -5.335   0.787
   25    HB3  PRO   6           1HB      PRO   6  -5.520  -3.869   1.762
   26    HG2  PRO   6           2HG      PRO   6  -6.972  -4.778  -0.634
   27    HG3  PRO   6           1HG      PRO   6  -7.508  -3.734   0.687
   28    HD2  PRO   6           2HD      PRO   6  -6.691  -2.919  -1.884
   29    HD3  PRO   6           1HD      PRO   6  -6.994  -1.873  -0.482
   30    H    ARG   7           H        ARG   7  -4.458  -3.598  -2.560
   31    HA   ARG   7           HA       ARG   7  -3.364  -6.286  -2.962
   32    HB2  ARG   7           2HB      ARG   7  -5.162  -5.297  -4.343
   33    HB3  ARG   7           1HB      ARG   7  -4.059  -4.025  -4.868
   34    HG2  ARG   7           2HG      ARG   7  -2.576  -5.707  -5.878
   35    HG3  ARG   7           1HG      ARG   7  -3.658  -6.996  -5.338
   36    HD2  ARG   7           2HD      ARG   7  -5.487  -6.030  -6.713
   37    HD3  ARG   7           1HD      ARG   7  -4.375  -4.769  -7.284
   38    HE   ARG   7           HE       ARG   7  -4.348  -7.567  -8.122
   39   HH11  ARG   7          1HH2      ARG   7  -2.501  -4.700  -7.574
   40   HH12  ARG   7          2HH2      ARG   7  -1.265  -5.126  -8.710
   41   HH21  ARG   7          1HH1      ARG   7  -2.741  -8.131  -9.606
   42   HH22  ARG   7          2HH1      ARG   7  -1.402  -7.062  -9.861
   43    H    CYS   8           H        CYS   8  -2.118  -3.030  -2.871
   44    HA   CYS   8           HA       CYS   8   0.493  -3.996  -3.989
   45    HB2  CYS   8           2HB      CYS   8  -1.113  -1.980  -4.856
   46    HB3  CYS   8           1HB      CYS   8  -0.091  -1.099  -3.720
   47    H    ARG   9           H        ARG   9  -0.091  -4.545  -1.280
   48    HA   ARG   9           HA       ARG   9   0.960  -2.431   0.447
   49    HB2  ARG   9           2HB      ARG   9   0.697  -4.185   2.161
   50    HB3  ARG   9           1HB      ARG   9  -0.729  -4.127   1.124
   51    HG2  ARG   9           2HG      ARG   9  -0.359  -6.391   1.025
   52    HG3  ARG   9           1HG      ARG   9   0.736  -5.903  -0.273
   53    HD2  ARG   9           2HD      ARG   9   1.888  -7.429   1.296
   54    HD3  ARG   9           1HD      ARG   9   2.607  -5.810   1.392
   55    HE   ARG   9           HE       ARG   9   1.730  -5.618   3.577
   56   HH11  ARG   9          1HH2      ARG   9   0.128  -8.081   1.761
   57   HH12  ARG   9          2HH2      ARG   9  -0.814  -8.637   3.103
   58   HH21  ARG   9          1HH1      ARG   9   0.508  -6.337   5.332
   59   HH22  ARG   9          2HH1      ARG   9  -0.598  -7.653   5.122
   60    H    TYR  10           H        TYR  10   2.359  -4.810  -1.581
   61    HA   TYR  10           HA       TYR  10   4.704  -5.485  -0.062
   62    HB2  TYR  10           2HB      TYR  10   3.805  -5.554  -2.923
   63    HB3  TYR  10           1HB      TYR  10   5.503  -5.881  -2.559
   64    HD1  TYR  10           1HD      TYR  10   2.044  -6.837  -1.497
   65    HD2  TYR  10           2HD      TYR  10   6.149  -8.030  -1.898
   66    HE1  TYR  10           1HE      TYR  10   1.442  -9.138  -0.809
   67    HE2  TYR  10           2HE      TYR  10   5.547 -10.332  -1.208
   68    HH   TYR  10           HH       TYR  10   3.888 -11.729  -0.717
   69    H    ARG  11           H        ARG  11   5.411  -3.992  -3.112
   70    HA   ARG  11           HA       ARG  11   7.155  -2.042  -1.708
   71    HB2  ARG  11           2HB      ARG  11   7.506  -1.705  -4.462
   72    HB3  ARG  11           1HB      ARG  11   8.525  -2.660  -3.396
   73    HG2  ARG  11           2HG      ARG  11   7.920  -4.091  -5.210
   74    HG3  ARG  11           1HG      ARG  11   6.943  -4.613  -3.840
   75    HD2  ARG  11           2HD      ARG  11   5.133  -2.993  -4.755
   76    HD3  ARG  11           1HD      ARG  11   6.085  -3.009  -6.254
   77    HE   ARG  11           HE       ARG  11   5.555  -5.668  -5.123
   78   HH11  ARG  11          1HH2      ARG  11   4.546  -3.134  -7.250
   79   HH12  ARG  11          2HH2      ARG  11   3.602  -4.182  -8.253
   80   HH21  ARG  11          1HH1      ARG  11   4.322  -7.037  -6.425
   81   HH22  ARG  11          2HH1      ARG  11   3.474  -6.385  -7.788
   82    H    CYS  12           H        CYS  12   5.703  -0.433  -1.010
   83    HA   CYS  12           HA       CYS  12   3.696   0.735  -2.760
   84    HB2  CYS  12           2HB      CYS  12   4.979   1.657  -0.167
   85    HB3  CYS  12           1HB      CYS  12   3.505   2.330  -0.861
   86    H    ARG  13           H        ARG  13   6.963   1.670  -1.687
   87    HA   ARG  13           HA       ARG  13   6.958   4.202  -3.124
   88    HB2  ARG  13           2HB      ARG  13   8.913   2.464  -1.642
   89    HB3  ARG  13           1HB      ARG  13   9.516   3.824  -2.591
   90    HG2  ARG  13           2HG      ARG  13   7.694   5.205  -1.345
   91    HG3  ARG  13           1HG      ARG  13   7.681   3.861  -0.202
   92    HD2  ARG  13           2HD      ARG  13   9.616   4.570   0.743
   93    HD3  ARG  13           1HD      ARG  13  10.410   4.663  -0.842
   94    HE   ARG  13           HE       ARG  13   9.846   6.961  -0.936
   95   HH11  ARG  13          1HH2      ARG  13   8.044   5.277   1.482
   96   HH12  ARG  13          2HH2      ARG  13   7.332   6.714   2.134
   97   HH21  ARG  13          1HH1      ARG  13   8.925   8.843  -0.086
   98   HH22  ARG  13          2HH1      ARG  13   7.830   8.727   1.251
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1   3.524   3.675  -6.149
    2    HA2  GLY   1           2HA      GLY   1   2.456   5.054  -4.550
    3    HA3  GLY   1           1HA      GLY   1   1.638   5.891  -5.869
    4    H    CYS   2           H        CYS   2   1.641   2.421  -5.057
    5    HA   CYS   2           HA       CYS   2  -1.338   2.571  -4.898
    6    HB2  CYS   2           2HB      CYS   2  -1.139   0.147  -5.559
    7    HB3  CYS   2           1HB      CYS   2  -0.503   1.264  -6.761
    8    H    CYS   3           H        CYS   3   1.259   2.459  -2.893
    9    HA   CYS   3           HA       CYS   3   0.912   0.269  -1.152
   10    HB2  CYS   3           2HB      CYS   3   2.446   2.537  -1.308
   11    HB3  CYS   3           1HB      CYS   3   1.433   2.898   0.094
   12    H    SER   4           H        SER   4  -1.171   2.988  -1.703
   13    HA   SER   4           HA       SER   4  -2.602   2.694   0.866
   14    HB2  SER   4           2HB      SER   4  -3.545   4.730   0.265
   15    HB3  SER   4           1HB      SER   4  -2.058   4.799  -0.678
   16    HG   SER   4           HG       SER   4  -3.476   3.633  -2.313
   17    H    GLU   5           H        GLU   5  -2.527   0.490  -1.254
   18    HA   GLU   5           HA       GLU   5  -5.498   0.225  -1.604
   19    HB2  GLU   5           2HB      GLU   5  -3.158  -0.428  -3.405
   20    HB3  GLU   5           1HB      GLU   5  -4.748  -1.150  -3.659
   21    HG2  GLU   5           2HG      GLU   5  -4.721   1.787  -3.251
   22    HG3  GLU   5           1HG      GLU   5  -4.002   1.216  -4.758
   23    HA   PRO   6           HA       PRO   6  -5.145  -3.630   0.449
   24    HB2  PRO   6           2HB      PRO   6  -6.950  -5.181  -0.899
   25    HB3  PRO   6           1HB      PRO   6  -7.430  -3.868   0.199
   26    HG2  PRO   6           2HG      PRO   6  -7.314  -3.906  -2.772
   27    HG3  PRO   6           1HG      PRO   6  -8.482  -3.124  -1.695
   28    HD2  PRO   6           2HD      PRO   6  -6.444  -1.804  -2.969
   29    HD3  PRO   6           1HD      PRO   6  -7.198  -1.251  -1.459
   30    H    ARG   7           H        ARG   7  -5.175  -3.992  -3.110
   31    HA   ARG   7           HA       ARG   7  -3.818  -6.538  -3.135
   32    HB2  ARG   7           2HB      ARG   7  -5.177  -5.818  -4.981
   33    HB3  ARG   7           1HB      ARG   7  -4.284  -4.305  -5.127
   34    HG2  ARG   7           2HG      ARG   7  -3.239  -5.472  -6.795
   35    HG3  ARG   7           1HG      ARG   7  -2.239  -6.020  -5.450
   36    HD2  ARG   7           2HD      ARG   7  -4.453  -7.747  -5.425
   37    HD3  ARG   7           1HD      ARG   7  -4.021  -7.578  -7.138
   38    HE   ARG   7           HE       ARG   7  -2.349  -8.794  -5.072
   39   HH11  ARG   7          1HH2      ARG   7  -2.466  -7.089  -8.074
   40   HH12  ARG   7          2HH2      ARG   7  -0.923  -7.664  -8.608
   41   HH21  ARG   7          1HH1      ARG   7  -0.338  -9.553  -5.762
   42   HH22  ARG   7          2HH1      ARG   7   0.279  -9.060  -7.303
   43    H    CYS   8           H        CYS   8  -2.584  -3.361  -4.268
   44    HA   CYS   8           HA       CYS   8   0.161  -4.093  -4.323
   45    HB2  CYS   8           2HB      CYS   8  -1.465  -1.879  -4.854
   46    HB3  CYS   8           1HB      CYS   8  -0.349  -1.308  -3.613
   47    H    ARG   9           H        ARG   9   1.236  -4.877  -2.529
   48    HA   ARG   9           HA       ARG   9   0.618  -3.713   0.145
   49    HB2  ARG   9           2HB      ARG   9   1.669  -5.729   0.978
   50    HB3  ARG   9           1HB      ARG   9   0.589  -6.195  -0.336
   51    HG2  ARG   9           2HG      ARG   9   2.720  -5.878  -1.836
   52    HG3  ARG   9           1HG      ARG   9   3.592  -6.070  -0.312
   53    HD2  ARG   9           2HD      ARG   9   1.757  -8.055  -1.678
   54    HD3  ARG   9           1HD      ARG   9   3.428  -8.291  -1.129
   55    HE   ARG   9           HE       ARG   9   2.012  -7.572   1.170
   56   HH11  ARG   9          1HH2      ARG   9   1.858 -10.024  -1.258
   57   HH12  ARG   9          2HH2      ARG   9   1.162 -11.206  -0.203
   58   HH21  ARG   9          1HH1      ARG   9   1.100  -9.103   2.554
   59   HH22  ARG   9          2HH1      ARG   9   0.732 -10.686   1.954
   60    H    TYR  10           H        TYR  10   3.364  -4.750   0.975
   61    HA   TYR  10           HA       TYR  10   4.805  -2.352   1.115
   62    HB2  TYR  10           2HB      TYR  10   5.573  -5.273   1.118
   63    HB3  TYR  10           1HB      TYR  10   6.770  -4.007   1.413
   64    HD1  TYR  10           2HD      TYR  10   3.686  -5.608   2.665
   65    HD2  TYR  10           1HD      TYR  10   6.742  -2.692   3.437
   66    HE1  TYR  10           2HE      TYR  10   2.930  -5.439   5.016
   67    HE2  TYR  10           1HE      TYR  10   5.986  -2.522   5.791
   68    HH   TYR  10           HH       TYR  10   3.248  -3.262   6.900
   69    H    ARG  11           H        ARG  11   4.405  -4.409  -1.651
   70    HA   ARG  11           HA       ARG  11   6.791  -4.014  -3.102
   71    HB2  ARG  11           2HB      ARG  11   3.969  -4.673  -3.586
   72    HB3  ARG  11           1HB      ARG  11   4.752  -3.917  -4.973
   73    HG2  ARG  11           2HG      ARG  11   5.129  -6.275  -5.190
   74    HG3  ARG  11           1HG      ARG  11   6.657  -5.573  -4.654
   75    HD2  ARG  11           2HD      ARG  11   4.638  -6.669  -2.681
   76    HD3  ARG  11           1HD      ARG  11   5.900  -7.687  -3.403
   77    HE   ARG  11           HE       ARG  11   6.341  -5.630  -1.402
   78   HH11  ARG  11          1HH2      ARG  11   7.623  -7.186  -4.209
   79   HH12  ARG  11          2HH2      ARG  11   9.272  -6.869  -3.788
   80   HH21  ARG  11          1HH1      ARG  11   8.490  -5.212  -0.844
   81   HH22  ARG  11          2HH1      ARG  11   9.764  -5.754  -1.886
   82    H    CYS  12           H        CYS  12   4.463  -1.658  -2.146
   83    HA   CYS  12           HA       CYS  12   4.673   0.233  -4.289
   84    HB2  CYS  12           2HB      CYS  12   3.710   1.739  -2.627
   85    HB3  CYS  12           1HB      CYS  12   2.989   0.141  -2.422
   86    H    ARG  13           H        ARG  13   7.265  -0.477  -4.214
   87    HA   ARG  13           HA       ARG  13   8.614   1.925  -3.086
   88    HB2  ARG  13           2HB      ARG  13   9.063  -0.970  -2.402
   89    HB3  ARG  13           1HB      ARG  13  10.417   0.158  -2.329
   90    HG2  ARG  13           2HG      ARG  13   9.390   1.472  -0.659
   91    HG3  ARG  13           1HG      ARG  13   7.795   0.795  -0.985
   92    HD2  ARG  13           2HD      ARG  13   8.238  -1.171   0.188
   93    HD3  ARG  13           1HD      ARG  13   9.990  -1.042  -0.062
   94    HE   ARG  13           HE       ARG  13   8.494   0.238   2.077
   95   HH11  ARG  13          1HH2      ARG  13  11.182   0.475  -0.079
   96   HH12  ARG  13          2HH2      ARG  13  12.090   1.518   0.962
   97   HH21  ARG  13          1HH1      ARG  13   9.669   1.603   3.441
   98   HH22  ARG  13          2HH1      ARG  13  11.235   2.158   2.951
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -0.422   6.423  -6.038
    2    HA2  GLY   1           2HA      GLY   1   1.935   4.700  -5.464
    3    HA3  GLY   1           1HA      GLY   1   1.267   5.677  -4.154
    4    H    CYS   2           H        CYS   2   1.084   2.685  -5.674
    5    HA   CYS   2           HA       CYS   2  -1.748   2.129  -5.196
    6    HB2  CYS   2           2HB      CYS   2  -0.107   1.122  -6.919
    7    HB3  CYS   2           1HB      CYS   2   0.503   0.149  -5.582
    8    H    CYS   3           H        CYS   3   0.893   2.472  -3.146
    9    HA   CYS   3           HA       CYS   3   0.759   0.326  -1.322
   10    HB2  CYS   3           2HB      CYS   3   2.204   2.538  -1.512
   11    HB3  CYS   3           1HB      CYS   3   0.996   3.174  -0.391
   12    H    SER   4           H        SER   4  -1.346   3.162  -1.652
   13    HA   SER   4           HA       SER   4  -2.827   3.073   0.723
   14    HB2  SER   4           2HB      SER   4  -3.505   3.673  -2.156
   15    HB3  SER   4           1HB      SER   4  -4.716   3.844  -0.889
   16    HG   SER   4           HG       SER   4  -2.171   5.106  -1.022
   17    H    GLU   5           H        GLU   5  -3.511   1.251  -2.290
   18    HA   GLU   5           HA       GLU   5  -5.639  -0.302  -1.018
   19    HB2  GLU   5           2HB      GLU   5  -4.304  -0.033  -3.669
   20    HB3  GLU   5           1HB      GLU   5  -5.126  -1.561  -3.347
   21    HG2  GLU   5           2HG      GLU   5  -7.181  -0.312  -2.741
   22    HG3  GLU   5           1HG      GLU   5  -6.359   1.200  -3.128
   23    HA   PRO   6           HA       PRO   6  -3.178  -3.605   0.508
   24    HB2  PRO   6           2HB      PRO   6  -4.943  -5.682   0.257
   25    HB3  PRO   6           1HB      PRO   6  -5.109  -4.415   1.492
   26    HG2  PRO   6           2HG      PRO   6  -6.536  -4.731  -1.099
   27    HG3  PRO   6           1HG      PRO   6  -7.144  -4.164   0.463
   28    HD2  PRO   6           2HD      PRO   6  -6.504  -2.502  -1.609
   29    HD3  PRO   6           1HD      PRO   6  -6.451  -2.016   0.100
   30    H    ARG   7           H        ARG   7  -4.364  -3.546  -2.718
   31    HA   ARG   7           HA       ARG   7  -3.324  -6.059  -3.673
   32    HB2  ARG   7           2HB      ARG   7  -5.046  -4.789  -4.832
   33    HB3  ARG   7           1HB      ARG   7  -3.967  -3.403  -4.992
   34    HG2  ARG   7           2HG      ARG   7  -2.734  -4.377  -6.673
   35    HG3  ARG   7           1HG      ARG   7  -3.015  -6.016  -6.076
   36    HD2  ARG   7           2HD      ARG   7  -5.569  -5.051  -6.780
   37    HD3  ARG   7           1HD      ARG   7  -4.492  -4.554  -8.102
   38    HE   ARG   7           HE       ARG   7  -3.901  -7.254  -7.283
   39   HH11  ARG   7          1HH2      ARG   7  -6.147  -5.288  -9.022
   40   HH12  ARG   7          2HH2      ARG   7  -6.648  -6.567 -10.076
   41   HH21  ARG   7          1HH1      ARG   7  -4.549  -8.929  -8.652
   42   HH22  ARG   7          2HH1      ARG   7  -5.746  -8.625  -9.867
   43    H    CYS   8           H        CYS   8  -1.830  -3.037  -2.846
   44    HA   CYS   8           HA       CYS   8   0.758  -4.042  -3.975
   45    HB2  CYS   8           2HB      CYS   8  -0.080  -1.136  -3.930
   46    HB3  CYS   8           1HB      CYS   8   1.222  -1.877  -4.855
   47    H    ARG   9           H        ARG   9  -0.683  -3.770  -1.220
   48    HA   ARG   9           HA       ARG   9   0.508  -1.873   0.456
   49    HB2  ARG   9           2HB      ARG   9   0.115  -3.597   2.207
   50    HB3  ARG   9           1HB      ARG   9  -1.241  -3.483   1.084
   51    HG2  ARG   9           2HG      ARG   9  -0.123  -5.371  -0.237
   52    HG3  ARG   9           1HG      ARG   9   0.925  -5.592   1.170
   53    HD2  ARG   9           2HD      ARG   9  -2.106  -5.610   1.328
   54    HD3  ARG   9           1HD      ARG   9  -1.116  -7.079   1.209
   55    HE   ARG   9           HE       ARG   9   0.118  -5.848   3.265
   56   HH11  ARG   9          1HH2      ARG   9  -3.248  -6.279   2.563
   57   HH12  ARG   9          2HH2      ARG   9  -3.725  -6.225   4.225
   58   HH21  ARG   9          1HH1      ARG   9  -0.506  -5.786   5.424
   59   HH22  ARG   9          2HH1      ARG   9  -2.178  -5.955   5.840
   60    H    TYR  10           H        TYR  10   1.844  -5.012  -0.592
   61    HA   TYR  10           HA       TYR  10   4.360  -4.531   0.881
   62    HB2  TYR  10           2HB      TYR  10   2.999  -6.728  -0.609
   63    HB3  TYR  10           1HB      TYR  10   4.761  -6.800  -0.503
   64    HD1  TYR  10           2HD      TYR  10   2.995  -5.067   2.159
   65    HD2  TYR  10           1HD      TYR  10   4.487  -8.878   0.863
   66    HE1  TYR  10           2HE      TYR  10   2.816  -5.926   4.474
   67    HE2  TYR  10           1HE      TYR  10   4.307  -9.734   3.174
   68    HH   TYR  10           HH       TYR  10   2.589  -8.121   5.611
   69    H    ARG  11           H        ARG  11   3.183  -4.596  -2.467
   70    HA   ARG  11           HA       ARG  11   5.705  -4.455  -3.792
   71    HB2  ARG  11           2HB      ARG  11   2.851  -4.043  -4.340
   72    HB3  ARG  11           1HB      ARG  11   3.899  -3.046  -5.351
   73    HG2  ARG  11           2HG      ARG  11   3.587  -5.145  -6.497
   74    HG3  ARG  11           1HG      ARG  11   5.235  -5.132  -5.863
   75    HD2  ARG  11           2HD      ARG  11   3.115  -6.247  -4.077
   76    HD3  ARG  11           1HD      ARG  11   3.614  -7.234  -5.465
   77    HE   ARG  11           HE       ARG  11   5.290  -6.553  -3.166
   78   HH11  ARG  11          1HH2      ARG  11   5.156  -7.378  -6.518
   79   HH12  ARG  11          2HH2      ARG  11   6.760  -8.029  -6.554
   80   HH21  ARG  11          1HH1      ARG  11   7.383  -7.397  -3.203
   81   HH22  ARG  11          2HH1      ARG  11   8.018  -8.041  -4.680
   82    H    CYS  12           H        CYS  12   3.650  -1.944  -2.371
   83    HA   CYS  12           HA       CYS  12   5.161   0.299  -3.420
   84    HB2  CYS  12           2HB      CYS  12   3.737   1.563  -1.932
   85    HB3  CYS  12           1HB      CYS  12   2.765   0.242  -2.580
   86    H    ARG  13           H        ARG  13   6.298   1.844  -1.823
   87    HA   ARG  13           HA       ARG  13   7.998   2.229  -0.218
   88    HB2  ARG  13           2HB      ARG  13   6.080   0.415   0.855
   89    HB3  ARG  13           1HB      ARG  13   7.674  -0.171   1.336
   90    HG2  ARG  13           2HG      ARG  13   7.720   1.416   2.929
   91    HG3  ARG  13           1HG      ARG  13   7.751   2.634   1.654
   92    HD2  ARG  13           2HD      ARG  13   5.074   1.879   1.734
   93    HD3  ARG  13           1HD      ARG  13   5.556   1.902   3.443
   94    HE   ARG  13           HE       ARG  13   6.723   4.186   2.368
   95   HH11  ARG  13          1HH2      ARG  13   3.550   2.834   2.576
   96   HH12  ARG  13          2HH2      ARG  13   2.757   4.372   2.569
   97   HH21  ARG  13          1HH1      ARG  13   5.697   6.194   2.361
   98   HH22  ARG  13          2HH1      ARG  13   3.970   6.274   2.449
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1   1.209   7.653  -4.901
    2    HA2  GLY   1           2HA      GLY   1   2.287   5.585  -3.480
    3    HA3  GLY   1           1HA      GLY   1   0.893   6.475  -2.863
    4    H    CYS   2           H        CYS   2   1.822   3.657  -4.810
    5    HA   CYS   2           HA       CYS   2  -0.760   2.555  -5.239
    6    HB2  CYS   2           2HB      CYS   2   1.381   1.840  -6.280
    7    HB3  CYS   2           1HB      CYS   2   1.896   1.175  -4.730
    8    H    CYS   3           H        CYS   3   1.248   2.647  -2.361
    9    HA   CYS   3           HA       CYS   3   0.424   0.552  -0.777
   10    HB2  CYS   3           2HB      CYS   3   1.923   2.370  -0.077
   11    HB3  CYS   3           1HB      CYS   3   0.570   3.504  -0.078
   12    H    SER   4           H        SER   4  -1.526   3.375  -1.692
   13    HA   SER   4           HA       SER   4  -3.705   3.287   0.002
   14    HB2  SER   4           2HB      SER   4  -4.938   3.650  -2.372
   15    HB3  SER   4           1HB      SER   4  -3.906   4.880  -1.646
   16    HG   SER   4           HG       SER   4  -3.477   3.219  -3.826
   17    H    GLU   5           H        GLU   5  -3.855   1.519  -3.114
   18    HA   GLU   5           HA       GLU   5  -6.029  -0.131  -2.508
   19    HB2  GLU   5           2HB      GLU   5  -3.635  -0.248  -4.280
   20    HB3  GLU   5           1HB      GLU   5  -4.546  -1.745  -4.076
   21    HG2  GLU   5           2HG      GLU   5  -6.411   0.399  -4.442
   22    HG3  GLU   5           1HG      GLU   5  -5.202   0.482  -5.726
   23    HA   PRO   6           HA       PRO   6  -4.526  -2.871   0.575
   24    HB2  PRO   6           2HB      PRO   6  -6.273  -4.939   0.208
   25    HB3  PRO   6           1HB      PRO   6  -6.748  -3.394   0.945
   26    HG2  PRO   6           2HG      PRO   6  -7.227  -4.408  -1.800
   27    HG3  PRO   6           1HG      PRO   6  -8.245  -3.386  -0.777
   28    HD2  PRO   6           2HD      PRO   6  -6.679  -2.477  -2.865
   29    HD3  PRO   6           1HD      PRO   6  -7.274  -1.472  -1.527
   30    H    ARG   7           H        ARG   7  -4.822  -3.935  -2.767
   31    HA   ARG   7           HA       ARG   7  -3.189  -6.356  -2.314
   32    HB2  ARG   7           2HB      ARG   7  -5.149  -6.241  -3.864
   33    HB3  ARG   7           1HB      ARG   7  -4.262  -5.076  -4.847
   34    HG2  ARG   7           2HG      ARG   7  -2.442  -7.140  -4.521
   35    HG3  ARG   7           1HG      ARG   7  -3.983  -7.986  -4.713
   36    HD2  ARG   7           2HD      ARG   7  -3.465  -5.716  -6.583
   37    HD3  ARG   7           1HD      ARG   7  -2.538  -7.208  -6.843
   38    HE   ARG   7           HE       ARG   7  -5.385  -6.915  -7.277
   39   HH11  ARG   7          1HH2      ARG   7  -2.903  -9.036  -6.140
   40   HH12  ARG   7          2HH2      ARG   7  -3.784 -10.477  -6.521
   41   HH21  ARG   7          1HH1      ARG   7  -6.541  -8.787  -7.769
   42   HH22  ARG   7          2HH1      ARG   7  -5.838 -10.336  -7.443
   43    H    CYS   8           H        CYS   8  -1.847  -3.902  -1.664
   44    HA   CYS   8           HA       CYS   8   0.407  -4.071  -3.592
   45    HB2  CYS   8           2HB      CYS   8  -1.319  -2.239  -4.189
   46    HB3  CYS   8           1HB      CYS   8  -0.750  -1.409  -2.740
   47    H    ARG   9           H        ARG   9   0.376  -5.120  -1.014
   48    HA   ARG   9           HA       ARG   9   1.447  -3.152   0.879
   49    HB2  ARG   9           2HB      ARG   9   0.741  -4.726   2.344
   50    HB3  ARG   9           1HB      ARG   9   0.108  -5.605   0.961
   51    HG2  ARG   9           2HG      ARG   9   2.994  -5.960   1.757
   52    HG3  ARG   9           1HG      ARG   9   1.726  -6.816   2.628
   53    HD2  ARG   9           2HD      ARG   9   1.002  -7.231  -0.011
   54    HD3  ARG   9           1HD      ARG   9   2.774  -7.322  -0.065
   55    HE   ARG   9           HE       ARG   9   2.602  -9.333   1.149
   56   HH11  ARG   9          1HH2      ARG   9  -0.135  -7.295   1.711
   57   HH12  ARG   9          2HH2      ARG   9  -0.900  -8.408   2.793
   58   HH21  ARG   9          1HH1      ARG   9   1.600 -10.791   2.553
   59   HH22  ARG   9          2HH1      ARG   9   0.075 -10.382   3.266
   60    H    TYR  10           H        TYR  10   2.747  -4.758  -1.740
   61    HA   TYR  10           HA       TYR  10   5.316  -5.601  -0.734
   62    HB2  TYR  10           2HB      TYR  10   4.136  -4.838  -3.406
   63    HB3  TYR  10           1HB      TYR  10   5.848  -5.250  -3.259
   64    HD1  TYR  10           1HD      TYR  10   6.507  -7.488  -2.328
   65    HD2  TYR  10           2HD      TYR  10   2.452  -6.513  -3.346
   66    HE1  TYR  10           1HE      TYR  10   5.933  -9.897  -2.345
   67    HE2  TYR  10           2HE      TYR  10   1.877  -8.923  -3.365
   68    HH   TYR  10           HH       TYR  10   4.320 -11.404  -2.581
   69    H    ARG  11           H        ARG  11   4.717  -2.833  -2.920
   70    HA   ARG  11           HA       ARG  11   7.124  -1.458  -2.232
   71    HB2  ARG  11           2HB      ARG  11   4.631  -1.009  -3.741
   72    HB3  ARG  11           1HB      ARG  11   5.376   0.468  -3.132
   73    HG2  ARG  11           2HG      ARG  11   6.372   0.105  -5.265
   74    HG3  ARG  11           1HG      ARG  11   7.578  -0.425  -4.093
   75    HD2  ARG  11           2HD      ARG  11   7.350  -2.090  -5.912
   76    HD3  ARG  11           1HD      ARG  11   6.784  -2.778  -4.378
   77    HE   ARG  11           HE       ARG  11   4.581  -2.761  -5.241
   78   HH11  ARG  11          1HH2      ARG  11   6.703  -0.740  -7.067
   79   HH12  ARG  11          2HH2      ARG  11   5.537  -0.418  -8.306
   80   HH21  ARG  11          1HH1      ARG  11   3.056  -2.353  -6.857
   81   HH22  ARG  11          2HH1      ARG  11   3.476  -1.324  -8.186
   82    H    CYS  12           H        CYS  12   3.842  -1.311  -0.897
   83    HA   CYS  12           HA       CYS  12   4.455   0.960   0.858
   84    HB2  CYS  12           2HB      CYS  12   2.201   0.566  -0.039
   85    HB3  CYS  12           1HB      CYS  12   2.154  -1.019   0.729
   86    H    ARG  13           H        ARG  13   4.780   0.794   3.149
   87    HA   ARG  13           HA       ARG  13   5.449  -1.970   4.120
   88    HB2  ARG  13           2HB      ARG  13   6.594   0.696   5.006
   89    HB3  ARG  13           1HB      ARG  13   7.214  -0.909   5.398
   90    HG2  ARG  13           2HG      ARG  13   7.004   0.141   2.565
   91    HG3  ARG  13           1HG      ARG  13   8.464   0.283   3.544
   92    HD2  ARG  13           2HD      ARG  13   7.364  -2.441   3.555
   93    HD3  ARG  13           1HD      ARG  13   7.853  -1.890   1.939
   94    HE   ARG  13           HE       ARG  13   9.908  -1.038   3.606
   95   HH11  ARG  13          1HH2      ARG  13   8.337  -4.030   2.898
   96   HH12  ARG  13          2HH2      ARG  13   9.752  -4.987   3.181
   97   HH21  ARG  13          1HH1      ARG  13  11.756  -2.277   3.985
   98   HH22  ARG  13          2HH1      ARG  13  11.683  -3.997   3.795
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -0.273   7.208  -5.231
    2    HA2  GLY   1           2HA      GLY   1   1.886   5.306  -4.728
    3    HA3  GLY   1           1HA      GLY   1   0.782   5.961  -3.518
    4    H    CYS   2           H        CYS   2   1.624   3.154  -5.067
    5    HA   CYS   2           HA       CYS   2  -1.001   1.948  -5.438
    6    HB2  CYS   2           2HB      CYS   2   1.293   1.412  -6.514
    7    HB3  CYS   2           1HB      CYS   2   1.633   0.529  -5.025
    8    H    CYS   3           H        CYS   3   0.959   2.583  -2.684
    9    HA   CYS   3           HA       CYS   3   0.202   0.297  -1.062
   10    HB2  CYS   3           2HB      CYS   3   1.910   2.541  -0.955
   11    HB3  CYS   3           1HB      CYS   3   0.799   2.728   0.406
   12    H    SER   4           H        SER   4  -1.598   2.877  -2.250
   13    HA   SER   4           HA       SER   4  -3.232   3.581   0.009
   14    HB2  SER   4           2HB      SER   4  -4.753   4.374  -1.860
   15    HB3  SER   4           1HB      SER   4  -3.094   4.960  -1.969
   16    HG   SER   4           HG       SER   4  -4.272   3.866  -3.878
   17    H    GLU   5           H        GLU   5  -3.464   1.013  -2.436
   18    HA   GLU   5           HA       GLU   5  -5.997   0.058  -1.169
   19    HB2  GLU   5           2HB      GLU   5  -4.641  -0.186  -3.833
   20    HB3  GLU   5           1HB      GLU   5  -5.787  -1.438  -3.350
   21    HG2  GLU   5           2HG      GLU   5  -7.555   0.176  -3.078
   22    HG3  GLU   5           1HG      GLU   5  -6.430   1.521  -3.274
   23    HA   PRO   6           HA       PRO   6  -4.054  -3.490   0.540
   24    HB2  PRO   6           2HB      PRO   6  -5.909  -5.448   0.080
   25    HB3  PRO   6           1HB      PRO   6  -6.143  -4.157   1.279
   26    HG2  PRO   6           2HG      PRO   6  -7.258  -4.419  -1.465
   27    HG3  PRO   6           1HG      PRO   6  -8.011  -3.781   0.003
   28    HD2  PRO   6           2HD      PRO   6  -7.000  -2.213  -2.000
   29    HD3  PRO   6           1HD      PRO   6  -7.145  -1.691  -0.308
   30    H    ARG   7           H        ARG   7  -4.431  -3.164  -2.760
   31    HA   ARG   7           HA       ARG   7  -3.405  -5.870  -3.450
   32    HB2  ARG   7           2HB      ARG   7  -4.355  -3.465  -5.030
   33    HB3  ARG   7           1HB      ARG   7  -3.796  -4.967  -5.774
   34    HG2  ARG   7           2HG      ARG   7  -5.714  -5.407  -3.620
   35    HG3  ARG   7           1HG      ARG   7  -6.391  -4.461  -4.954
   36    HD2  ARG   7           2HD      ARG   7  -6.026  -6.182  -6.526
   37    HD3  ARG   7           1HD      ARG   7  -4.807  -6.976  -5.510
   38    HE   ARG   7           HE       ARG   7  -7.218  -6.908  -4.028
   39   HH11  ARG   7          1HH2      ARG   7  -5.900  -8.280  -6.911
   40   HH12  ARG   7          2HH2      ARG   7  -6.920  -9.678  -6.864
   41   HH21  ARG   7          1HH1      ARG   7  -8.552  -8.729  -3.960
   42   HH22  ARG   7          2HH1      ARG   7  -8.418  -9.933  -5.199
   43    H    CYS   8           H        CYS   8  -1.809  -3.823  -1.995
   44    HA   CYS   8           HA       CYS   8   0.646  -4.049  -3.578
   45    HB2  CYS   8           2HB      CYS   8  -1.086  -1.732  -3.739
   46    HB3  CYS   8           1HB      CYS   8   0.484  -1.273  -3.084
   47    H    ARG   9           H        ARG   9   0.448  -5.164  -1.204
   48    HA   ARG   9           HA       ARG   9   1.013  -3.360   1.034
   49    HB2  ARG   9           2HB      ARG   9   1.151  -5.464   2.268
   50    HB3  ARG   9           1HB      ARG   9  -0.217  -5.548   1.156
   51    HG2  ARG   9           2HG      ARG   9   0.697  -7.480   0.414
   52    HG3  ARG   9           1HG      ARG   9   1.903  -6.464  -0.384
   53    HD2  ARG   9           2HD      ARG   9   3.088  -8.105   0.970
   54    HD3  ARG   9           1HD      ARG   9   3.235  -6.530   1.772
   55    HE   ARG   9           HE       ARG   9   0.992  -8.346   2.527
   56   HH11  ARG   9          1HH2      ARG   9   3.927  -6.668   3.338
   57   HH12  ARG   9          2HH2      ARG   9   3.678  -6.831   5.039
   58   HH21  ARG   9          1HH1      ARG   9   0.702  -8.561   4.739
   59   HH22  ARG   9          2HH1      ARG   9   1.873  -7.898   5.829
   60    H    TYR  10           H        TYR  10   2.855  -5.022  -1.394
   61    HA   TYR  10           HA       TYR  10   5.376  -5.027   0.109
   62    HB2  TYR  10           2HB      TYR  10   4.335  -5.812  -2.576
   63    HB3  TYR  10           1HB      TYR  10   6.071  -5.528  -2.433
   64    HD1  TYR  10           1HD      TYR  10   6.769  -6.433   0.202
   65    HD2  TYR  10           2HD      TYR  10   3.953  -8.113  -2.570
   66    HE1  TYR  10           1HE      TYR  10   7.066  -8.656   1.246
   67    HE2  TYR  10           2HE      TYR  10   4.252 -10.338  -1.525
   68    HH   TYR  10           HH       TYR  10   5.138 -11.009   1.149
   69    H    ARG  11           H        ARG  11   4.916  -3.683  -3.156
   70    HA   ARG  11           HA       ARG  11   6.661  -1.406  -2.432
   71    HB2  ARG  11           2HB      ARG  11   5.423  -1.625  -5.130
   72    HB3  ARG  11           1HB      ARG  11   7.093  -1.294  -4.690
   73    HG2  ARG  11           2HG      ARG  11   7.538  -3.411  -5.335
   74    HG3  ARG  11           1HG      ARG  11   6.715  -3.936  -3.869
   75    HD2  ARG  11           2HD      ARG  11   4.542  -3.579  -5.394
   76    HD3  ARG  11           1HD      ARG  11   5.716  -3.895  -6.688
   77    HE   ARG  11           HE       ARG  11   6.066  -5.779  -4.533
   78   HH11  ARG  11          1HH2      ARG  11   4.059  -4.942  -7.219
   79   HH12  ARG  11          2HH2      ARG  11   3.511  -6.563  -7.481
   80   HH21  ARG  11          1HH1      ARG  11   5.349  -7.899  -4.869
   81   HH22  ARG  11          2HH1      ARG  11   4.238  -8.233  -6.154
   82    H    CYS  12           H        CYS  12   5.714   0.445  -1.672
   83    HA   CYS  12           HA       CYS  12   2.863   0.945  -1.841
   84    HB2  CYS  12           2HB      CYS  12   5.295   2.555  -1.020
   85    HB3  CYS  12           1HB      CYS  12   3.656   3.187  -0.887
   86    H    ARG  13           H        ARG  13   5.406   1.393  -4.064
   87    HA   ARG  13           HA       ARG  13   4.046   3.670  -5.437
   88    HB2  ARG  13           2HB      ARG  13   6.731   2.308  -5.850
   89    HB3  ARG  13           1HB      ARG  13   6.189   3.770  -6.678
   90    HG2  ARG  13           2HG      ARG  13   6.298   5.071  -4.739
   91    HG3  ARG  13           1HG      ARG  13   6.174   3.669  -3.675
   92    HD2  ARG  13           2HD      ARG  13   8.446   2.988  -4.187
   93    HD3  ARG  13           1HD      ARG  13   8.578   4.233  -5.447
   94    HE   ARG  13           HE       ARG  13   8.784   4.705  -2.583
   95   HH11  ARG  13          1HH2      ARG  13   7.806   5.965  -5.646
   96   HH12  ARG  13          2HH2      ARG  13   7.950   7.620  -5.158
   97   HH21  ARG  13          1HH1      ARG  13   8.973   6.867  -1.932
   98   HH22  ARG  13          2HH1      ARG  13   8.609   8.129  -3.061
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1   0.791   6.712  -6.192
    2    HA2  GLY   1           2HA      GLY   1   2.190   4.752  -4.444
    3    HA3  GLY   1           1HA      GLY   1   1.064   5.993  -3.889
    4    H    CYS   2           H        CYS   2   1.362   2.744  -5.023
    5    HA   CYS   2           HA       CYS   2  -1.570   2.416  -5.332
    6    HB2  CYS   2           2HB      CYS   2  -0.860   0.167  -6.119
    7    HB3  CYS   2           1HB      CYS   2  -0.013   1.452  -6.974
    8    H    CYS   3           H        CYS   3   1.019   1.730  -3.069
    9    HA   CYS   3           HA       CYS   3  -0.013  -0.402  -1.564
   10    HB2  CYS   3           2HB      CYS   3   1.948   1.656  -1.357
   11    HB3  CYS   3           1HB      CYS   3   1.064   1.611   0.173
   12    H    SER   4           H        SER   4  -1.276   2.812  -1.891
   13    HA   SER   4           HA       SER   4  -2.687   3.113   0.570
   14    HB2  SER   4           2HB      SER   4  -3.974   4.747  -0.722
   15    HB3  SER   4           1HB      SER   4  -2.280   4.834  -1.195
   16    HG   SER   4           HG       SER   4  -4.226   4.554  -2.808
   17    H    GLU   5           H        GLU   5  -3.342   1.149  -2.256
   18    HA   GLU   5           HA       GLU   5  -6.100   0.543  -1.303
   19    HB2  GLU   5           2HB      GLU   5  -4.512   0.014  -3.825
   20    HB3  GLU   5           1HB      GLU   5  -6.134  -0.633  -3.567
   21    HG2  GLU   5           2HG      GLU   5  -5.457   2.313  -3.372
   22    HG3  GLU   5           1HG      GLU   5  -6.070   1.551  -4.839
   23    HA   PRO   6           HA       PRO   6  -4.991  -3.434   0.201
   24    HB2  PRO   6           2HB      PRO   6  -7.100  -4.945  -0.595
   25    HB3  PRO   6           1HB      PRO   6  -7.217  -3.758   0.722
   26    HG2  PRO   6           2HG      PRO   6  -8.127  -3.561  -2.102
   27    HG3  PRO   6           1HG      PRO   6  -8.865  -2.911  -0.631
   28    HD2  PRO   6           2HD      PRO   6  -7.409  -1.417  -2.410
   29    HD3  PRO   6           1HD      PRO   6  -7.611  -1.007  -0.692
   30    H    ARG   7           H        ARG   7  -3.552  -3.018  -2.062
   31    HA   ARG   7           HA       ARG   7  -3.607  -5.681  -3.392
   32    HB2  ARG   7           2HB      ARG   7  -3.361  -4.513  -5.589
   33    HB3  ARG   7           1HB      ARG   7  -4.902  -4.162  -4.805
   34    HG2  ARG   7           2HG      ARG   7  -3.669  -2.113  -3.788
   35    HG3  ARG   7           1HG      ARG   7  -2.473  -2.393  -5.056
   36    HD2  ARG   7           2HD      ARG   7  -5.133  -2.516  -6.193
   37    HD3  ARG   7           1HD      ARG   7  -4.911  -0.989  -5.322
   38    HE   ARG   7           HE       ARG   7  -3.193  -0.400  -6.849
   39   HH11  ARG   7          1HH2      ARG   7  -4.084  -3.730  -7.099
   40   HH12  ARG   7          2HH2      ARG   7  -3.134  -4.008  -8.518
   41   HH21  ARG   7          1HH1      ARG   7  -1.959  -0.754  -8.701
   42   HH22  ARG   7          2HH1      ARG   7  -1.933  -2.327  -9.425
   43    H    CYS   8           H        CYS   8  -1.891  -2.589  -2.941
   44    HA   CYS   8           HA       CYS   8   0.688  -3.832  -3.696
   45    HB2  CYS   8           2HB      CYS   8  -0.506  -1.165  -3.390
   46    HB3  CYS   8           1HB      CYS   8   1.146  -1.258  -2.781
   47    H    ARG   9           H        ARG   9   1.390  -5.181  -2.024
   48    HA   ARG   9           HA       ARG   9   1.037  -4.451   0.792
   49    HB2  ARG   9           2HB      ARG   9   1.825  -6.726  -0.860
   50    HB3  ARG   9           1HB      ARG   9   2.862  -6.560   0.558
   51    HG2  ARG   9           2HG      ARG   9   0.141  -6.089   1.344
   52    HG3  ARG   9           1HG      ARG   9   0.228  -7.615   0.455
   53    HD2  ARG   9           2HD      ARG   9   0.971  -8.535   2.389
   54    HD3  ARG   9           1HD      ARG   9   2.489  -7.659   2.110
   55    HE   ARG   9           HE       ARG   9   1.191  -5.681   3.246
   56   HH11  ARG   9          1HH2      ARG   9   0.884  -9.054   4.044
   57   HH12  ARG   9          2HH2      ARG   9   0.367  -8.736   5.661
   58   HH21  ARG   9          1HH1      ARG   9   0.536  -5.296   5.351
   59   HH22  ARG   9          2HH1      ARG   9   0.176  -6.626   6.402
   60    H    TYR  10           H        TYR  10   4.090  -5.658  -0.472
   61    HA   TYR  10           HA       TYR  10   5.535  -3.536   0.993
   62    HB2  TYR  10           2HB      TYR  10   6.106  -6.198  -0.270
   63    HB3  TYR  10           1HB      TYR  10   7.458  -5.105   0.059
   64    HD1  TYR  10           1HD      TYR  10   7.780  -4.226   2.406
   65    HD2  TYR  10           2HD      TYR  10   5.043  -7.399   1.473
   66    HE1  TYR  10           1HE      TYR  10   7.730  -4.883   4.793
   67    HE2  TYR  10           2HE      TYR  10   4.991  -8.058   3.860
   68    HH   TYR  10           HH       TYR  10   6.890  -7.651   5.922
   69    H    ARG  11           H        ARG  11   4.430  -4.117  -2.183
   70    HA   ARG  11           HA       ARG  11   6.625  -2.649  -3.521
   71    HB2  ARG  11           2HB      ARG  11   3.973  -3.591  -4.644
   72    HB3  ARG  11           1HB      ARG  11   5.474  -3.307  -5.522
   73    HG2  ARG  11           2HG      ARG  11   5.533  -5.319  -3.309
   74    HG3  ARG  11           1HG      ARG  11   4.723  -5.769  -4.807
   75    HD2  ARG  11           2HD      ARG  11   6.677  -5.780  -6.020
   76    HD3  ARG  11           1HD      ARG  11   7.396  -4.466  -5.067
   77    HE   ARG  11           HE       ARG  11   7.196  -6.474  -3.214
   78   HH11  ARG  11          1HH2      ARG  11   8.413  -6.311  -6.444
   79   HH12  ARG  11          2HH2      ARG  11   9.608  -7.537  -6.192
   80   HH21  ARG  11          1HH1      ARG  11   8.757  -8.072  -2.877
   81   HH22  ARG  11          2HH1      ARG  11   9.801  -8.534  -4.180
   82    H    CYS  12           H        CYS  12   5.332  -1.042  -1.576
   83    HA   CYS  12           HA       CYS  12   3.124   0.499  -2.376
   84    HB2  CYS  12           2HB      CYS  12   5.676   1.328  -0.952
   85    HB3  CYS  12           1HB      CYS  12   4.161   2.227  -0.912
   86    H    ARG  13           H        ARG  13   6.177   2.243  -2.458
   87    HA   ARG  13           HA       ARG  13   6.997   3.768  -4.069
   88    HB2  ARG  13           2HB      ARG  13   6.210   1.234  -5.471
   89    HB3  ARG  13           1HB      ARG  13   6.765   2.599  -6.441
   90    HG2  ARG  13           2HG      ARG  13   8.886   2.038  -5.946
   91    HG3  ARG  13           1HG      ARG  13   8.550   2.402  -4.252
   92    HD2  ARG  13           2HD      ARG  13   7.413  -0.169  -4.896
   93    HD3  ARG  13           1HD      ARG  13   9.124  -0.143  -5.367
   94    HE   ARG  13           HE       ARG  13   8.698   1.105  -2.780
   95   HH11  ARG  13          1HH2      ARG  13   9.043  -1.884  -4.478
   96   HH12  ARG  13          2HH2      ARG  13   9.658  -2.741  -3.105
   97   HH21  ARG  13          1HH1      ARG  13   9.503  -0.003  -0.985
   98   HH22  ARG  13          2HH1      ARG  13   9.922  -1.677  -1.131
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1  -0.859   6.438  -5.982
    2    HA2  GLY   1           2HA      GLY   1   1.389   5.676  -4.200
    3    HA3  GLY   1           1HA      GLY   1  -0.077   6.307  -3.446
    4    H    CYS   2           H        CYS   2   1.420   3.517  -4.736
    5    HA   CYS   2           HA       CYS   2  -1.087   2.038  -5.185
    6    HB2  CYS   2           2HB      CYS   2   1.341   1.874  -6.272
    7    HB3  CYS   2           1HB      CYS   2   1.613   0.764  -4.928
    8    H    CYS   3           H        CYS   3   1.324   2.436  -2.650
    9    HA   CYS   3           HA       CYS   3   0.798   0.176  -1.032
   10    HB2  CYS   3           2HB      CYS   3   2.253   2.566  -0.942
   11    HB3  CYS   3           1HB      CYS   3   1.178   2.658   0.457
   12    H    SER   4           H        SER   4  -1.250   2.851  -1.792
   13    HA   SER   4           HA       SER   4  -2.901   2.676   0.628
   14    HB2  SER   4           2HB      SER   4  -3.990   4.521  -0.319
   15    HB3  SER   4           1HB      SER   4  -2.387   4.656  -1.036
   16    HG   SER   4           HG       SER   4  -4.540   4.603  -2.361
   17    H    GLU   5           H        GLU   5  -2.495   0.509  -1.750
   18    HA   GLU   5           HA       GLU   5  -5.403  -0.113  -2.093
   19    HB2  GLU   5           2HB      GLU   5  -2.895  -0.445  -3.656
   20    HB3  GLU   5           1HB      GLU   5  -4.064  -1.761  -3.789
   21    HG2  GLU   5           2HG      GLU   5  -5.785   0.222  -4.111
   22    HG3  GLU   5           1HG      GLU   5  -4.342   1.111  -4.600
   23    HA   PRO   6           HA       PRO   6  -4.953  -3.625   0.508
   24    HB2  PRO   6           2HB      PRO   6  -6.746  -5.353  -0.627
   25    HB3  PRO   6           1HB      PRO   6  -7.235  -3.930   0.318
   26    HG2  PRO   6           2HG      PRO   6  -7.161  -4.310  -2.631
   27    HG3  PRO   6           1HG      PRO   6  -8.324  -3.422  -1.634
   28    HD2  PRO   6           2HD      PRO   6  -6.323  -2.235  -3.085
   29    HD3  PRO   6           1HD      PRO   6  -7.063  -1.519  -1.636
   30    H    ARG   7           H        ARG   7  -4.487  -3.962  -2.947
   31    HA   ARG   7           HA       ARG   7  -2.904  -6.466  -2.468
   32    HB2  ARG   7           2HB      ARG   7  -3.495  -7.068  -4.731
   33    HB3  ARG   7           1HB      ARG   7  -4.974  -6.546  -3.926
   34    HG2  ARG   7           2HG      ARG   7  -4.777  -4.324  -4.938
   35    HG3  ARG   7           1HG      ARG   7  -3.248  -4.787  -5.695
   36    HD2  ARG   7           2HD      ARG   7  -4.290  -6.243  -7.214
   37    HD3  ARG   7           1HD      ARG   7  -5.729  -6.428  -6.195
   38    HE   ARG   7           HE       ARG   7  -6.561  -4.385  -7.060
   39   HH11  ARG   7          1HH2      ARG   7  -3.208  -4.835  -7.770
   40   HH12  ARG   7          2HH2      ARG   7  -3.130  -3.495  -8.864
   41   HH21  ARG   7          1HH1      ARG   7  -6.466  -2.635  -8.482
   42   HH22  ARG   7          2HH1      ARG   7  -4.969  -2.250  -9.262
   43    H    CYS   8           H        CYS   8  -1.898  -3.711  -2.121
   44    HA   CYS   8           HA       CYS   8   0.441  -3.928  -3.897
   45    HB2  CYS   8           2HB      CYS   8  -1.578  -2.644  -4.989
   46    HB3  CYS   8           1HB      CYS   8  -1.080  -1.333  -3.919
   47    H    ARG   9           H        ARG   9   0.061  -4.061  -1.019
   48    HA   ARG   9           HA       ARG   9   1.054  -1.462   0.003
   49    HB2  ARG   9           2HB      ARG   9   0.605  -2.421   2.162
   50    HB3  ARG   9           1HB      ARG   9  -0.720  -2.919   1.117
   51    HG2  ARG   9           2HG      ARG   9   1.606  -4.768   1.210
   52    HG3  ARG   9           1HG      ARG   9   0.653  -4.645   2.688
   53    HD2  ARG   9           2HD      ARG   9  -1.095  -5.765   1.770
   54    HD3  ARG   9           1HD      ARG   9  -0.998  -4.836   0.263
   55    HE   ARG   9           HE       ARG   9   1.244  -6.395   0.114
   56   HH11  ARG   9          1HH2      ARG   9  -2.079  -7.028   0.821
   57   HH12  ARG   9          2HH2      ARG   9  -2.048  -8.628   0.163
   58   HH21  ARG   9          1HH1      ARG   9   1.295  -8.479  -0.747
   59   HH22  ARG   9          2HH1      ARG   9  -0.137  -9.452  -0.722
   60    H    TYR  10           H        TYR  10   2.166  -4.685  -0.765
   61    HA   TYR  10           HA       TYR  10   4.818  -4.238   0.466
   62    HB2  TYR  10           2HB      TYR  10   3.209  -6.457  -0.706
   63    HB3  TYR  10           1HB      TYR  10   4.970  -6.615  -0.796
   64    HD1  TYR  10           1HD      TYR  10   6.099  -5.618   1.537
   65    HD2  TYR  10           2HD      TYR  10   2.289  -7.554   1.125
   66    HE1  TYR  10           1HE      TYR  10   6.172  -6.265   3.921
   67    HE2  TYR  10           2HE      TYR  10   2.362  -8.200   3.515
   68    HH   TYR  10           HH       TYR  10   5.090  -7.219   5.600
   69    H    ARG  11           H        ARG  11   3.226  -4.021  -2.624
   70    HA   ARG  11           HA       ARG  11   5.752  -4.030  -4.160
   71    HB2  ARG  11           2HB      ARG  11   2.936  -3.367  -5.060
   72    HB3  ARG  11           1HB      ARG  11   4.272  -3.950  -6.054
   73    HG2  ARG  11           2HG      ARG  11   3.219  -5.588  -3.746
   74    HG3  ARG  11           1HG      ARG  11   2.472  -5.670  -5.340
   75    HD2  ARG  11           2HD      ARG  11   4.144  -6.972  -6.132
   76    HD3  ARG  11           1HD      ARG  11   5.380  -5.856  -5.518
   77    HE   ARG  11           HE       ARG  11   4.503  -7.011  -3.209
   78   HH11  ARG  11          1HH2      ARG  11   5.421  -8.293  -6.286
   79   HH12  ARG  11          2HH2      ARG  11   5.964  -9.803  -5.638
   80   HH21  ARG  11          1HH1      ARG  11   5.212  -8.974  -2.357
   81   HH22  ARG  11          2HH1      ARG  11   5.847 -10.189  -3.416
   82    H    CYS  12           H        CYS  12   3.315  -1.737  -3.005
   83    HA   CYS  12           HA       CYS  12   3.788   0.581  -4.417
   84    HB2  CYS  12           2HB      CYS  12   3.153   1.726  -2.368
   85    HB3  CYS  12           1HB      CYS  12   2.293   0.186  -2.422
   86    H    ARG  13           H        ARG  13   6.026  -1.028  -2.240
   87    HA   ARG  13           HA       ARG  13   7.922   1.258  -2.347
   88    HB2  ARG  13           2HB      ARG  13   7.712   0.346  -0.188
   89    HB3  ARG  13           1HB      ARG  13   7.612  -1.307  -0.792
   90    HG2  ARG  13           2HG      ARG  13   9.971  -1.262  -1.416
   91    HG3  ARG  13           1HG      ARG  13  10.091   0.430  -0.940
   92    HD2  ARG  13           2HD      ARG  13   9.712  -0.114   1.386
   93    HD3  ARG  13           1HD      ARG  13   9.311  -1.795   0.977
   94    HE   ARG  13           HE       ARG  13  12.006  -0.667   1.086
   95   HH11  ARG  13          1HH2      ARG  13   9.904  -3.038  -0.294
   96   HH12  ARG  13          2HH2      ARG  13  11.190  -4.119  -0.715
   97   HH21  ARG  13          1HH1      ARG  13  13.689  -2.066   0.533
   98   HH22  ARG  13          2HH1      ARG  13  13.330  -3.569  -0.248
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1   5.216   4.281  -3.014
    2    HA2  GLY   1           2HA      GLY   1   2.985   5.011  -3.065
    3    HA3  GLY   1           1HA      GLY   1   3.156   4.954  -4.820
    4    H    CYS   2           H        CYS   2   0.877   4.224  -4.786
    5    HA   CYS   2           HA       CYS   2  -0.690   2.502  -5.131
    6    HB2  CYS   2           2HB      CYS   2   1.446   1.557  -6.152
    7    HB3  CYS   2           1HB      CYS   2   1.673   0.694  -4.637
    8    H    CYS   3           H        CYS   3   0.834   3.129  -2.245
    9    HA   CYS   3           HA       CYS   3   0.077   0.917  -0.579
   10    HB2  CYS   3           2HB      CYS   3   1.701   2.804  -0.114
   11    HB3  CYS   3           1HB      CYS   3   0.307   3.861   0.115
   12    H    SER   4           H        SER   4  -1.760   3.334  -2.161
   13    HA   SER   4           HA       SER   4  -3.905   3.818  -0.378
   14    HB2  SER   4           2HB      SER   4  -3.971   3.491  -3.390
   15    HB3  SER   4           1HB      SER   4  -5.078   4.455  -2.418
   16    HG   SER   4           HG       SER   4  -3.642   5.944  -2.926
   17    H    GLU   5           H        GLU   5  -3.039   0.899  -2.030
   18    HA   GLU   5           HA       GLU   5  -5.669  -0.296  -1.222
   19    HB2  GLU   5           2HB      GLU   5  -4.015  -0.727  -3.729
   20    HB3  GLU   5           1HB      GLU   5  -5.445  -1.672  -3.308
   21    HG2  GLU   5           2HG      GLU   5  -6.812   0.379  -3.301
   22    HG3  GLU   5           1HG      GLU   5  -5.384   1.334  -3.705
   23    HA   PRO   6           HA       PRO   6  -3.144  -3.254   0.838
   24    HB2  PRO   6           2HB      PRO   6  -4.998  -5.243   1.124
   25    HB3  PRO   6           1HB      PRO   6  -5.033  -3.745   2.079
   26    HG2  PRO   6           2HG      PRO   6  -6.659  -4.525  -0.280
   27    HG3  PRO   6           1HG      PRO   6  -7.115  -3.587   1.149
   28    HD2  PRO   6           2HD      PRO   6  -6.538  -2.496  -1.306
   29    HD3  PRO   6           1HD      PRO   6  -6.413  -1.624   0.237
   30    H    ARG   7           H        ARG   7  -4.103  -3.516  -2.332
   31    HA   ARG   7           HA       ARG   7  -3.571  -6.321  -2.876
   32    HB2  ARG   7           2HB      ARG   7  -4.590  -4.041  -4.162
   33    HB3  ARG   7           1HB      ARG   7  -3.140  -4.463  -5.072
   34    HG2  ARG   7           2HG      ARG   7  -5.059  -5.640  -6.000
   35    HG3  ARG   7           1HG      ARG   7  -3.962  -6.802  -5.251
   36    HD2  ARG   7           2HD      ARG   7  -5.754  -5.927  -3.213
   37    HD3  ARG   7           1HD      ARG   7  -6.729  -6.341  -4.637
   38    HE   ARG   7           HE       ARG   7  -4.589  -8.257  -4.037
   39   HH11  ARG   7          1HH2      ARG   7  -7.877  -7.303  -3.561
   40   HH12  ARG   7          2HH2      ARG   7  -8.419  -8.905  -3.192
   41   HH21  ARG   7          1HH1      ARG   7  -5.294 -10.347  -3.558
   42   HH22  ARG   7          2HH1      ARG   7  -6.963 -10.624  -3.194
   43    H    CYS   8           H        CYS   8  -1.766  -3.459  -4.009
   44    HA   CYS   8           HA       CYS   8   0.711  -5.012  -4.296
   45    HB2  CYS   8           2HB      CYS   8   1.531  -2.812  -5.131
   46    HB3  CYS   8           1HB      CYS   8  -0.003  -3.261  -5.880
   47    H    ARG   9           H        ARG   9  -0.704  -4.022  -1.579
   48    HA   ARG   9           HA       ARG   9   0.719  -2.281  -0.066
   49    HB2  ARG   9           2HB      ARG   9   0.520  -4.105   1.794
   50    HB3  ARG   9           1HB      ARG   9  -0.945  -3.484   1.043
   51    HG2  ARG   9           2HG      ARG   9  -1.132  -5.890   1.142
   52    HG3  ARG   9           1HG      ARG   9  -0.872  -5.452  -0.544
   53    HD2  ARG   9           2HD      ARG   9   1.087  -6.588  -0.626
   54    HD3  ARG   9           1HD      ARG   9   1.641  -5.903   0.913
   55    HE   ARG   9           HE       ARG   9   0.238  -8.436   0.582
   56   HH11  ARG   9          1HH2      ARG   9   0.815  -5.723   2.636
   57   HH12  ARG   9          2HH2      ARG   9   0.447  -6.583   4.091
   58   HH21  ARG   9          1HH1      ARG   9  -0.252  -9.564   2.474
   59   HH22  ARG   9          2HH1      ARG   9  -0.158  -8.752   4.000
   60    H    TYR  10           H        TYR  10   2.087  -5.276  -1.334
   61    HA   TYR  10           HA       TYR  10   4.352  -5.537   0.353
   62    HB2  TYR  10           2HB      TYR  10   3.569  -6.256  -2.437
   63    HB3  TYR  10           1HB      TYR  10   5.281  -6.397  -2.017
   64    HD1  TYR  10           2HD      TYR  10   5.948  -7.767  -0.010
   65    HD2  TYR  10           1HD      TYR  10   1.980  -7.830  -1.641
   66    HE1  TYR  10           2HE      TYR  10   5.487  -9.878   1.198
   67    HE2  TYR  10           1HE      TYR  10   1.513  -9.941  -0.430
   68    HH   TYR  10           HH       TYR  10   2.696 -11.792   0.563
   69    H    ARG  11           H        ARG  11   3.634  -3.191  -2.136
   70    HA   ARG  11           HA       ARG  11   6.441  -2.296  -2.354
   71    HB2  ARG  11           2HB      ARG  11   3.823  -1.856  -3.676
   72    HB3  ARG  11           1HB      ARG  11   4.920  -0.476  -3.691
   73    HG2  ARG  11           2HG      ARG  11   5.152  -2.063  -5.667
   74    HG3  ARG  11           1HG      ARG  11   6.642  -1.746  -4.780
   75    HD2  ARG  11           2HD      ARG  11   6.603  -4.117  -5.065
   76    HD3  ARG  11           1HD      ARG  11   6.040  -3.873  -3.408
   77    HE   ARG  11           HE       ARG  11   3.736  -4.158  -4.190
   78   HH11  ARG  11          1HH2      ARG  11   6.191  -4.764  -6.582
   79   HH12  ARG  11          2HH2      ARG  11   5.161  -5.764  -7.541
   80   HH21  ARG  11          1HH1      ARG  11   2.421  -5.448  -5.457
   81   HH22  ARG  11          2HH1      ARG  11   3.043  -6.149  -6.913
   82    H    CYS  12           H        CYS  12   3.434  -1.306  -0.783
   83    HA   CYS  12           HA       CYS  12   4.236   1.346  -0.021
   84    HB2  CYS  12           2HB      CYS  12   1.930   0.646   0.024
   85    HB3  CYS  12           1HB      CYS  12   2.301  -0.699   1.103
   86    H    ARG  13           H        ARG  13   6.573   0.416   0.516
   87    HA   ARG  13           HA       ARG  13   8.200   0.045   2.192
   88    HB2  ARG  13           2HB      ARG  13   5.992   1.592   3.250
   89    HB3  ARG  13           1HB      ARG  13   6.700   0.597   4.523
   90    HG2  ARG  13           2HG      ARG  13   8.756   1.647   4.395
   91    HG3  ARG  13           1HG      ARG  13   8.552   2.072   2.696
   92    HD2  ARG  13           2HD      ARG  13   8.390   4.066   4.219
   93    HD3  ARG  13           1HD      ARG  13   6.894   3.794   3.304
   94    HE   ARG  13           HE       ARG  13   5.830   3.197   5.329
   95   HH11  ARG  13          1HH2      ARG  13   9.271   3.102   5.603
   96   HH12  ARG  13          2HH2      ARG  13   9.257   2.777   7.304
   97   HH21  ARG  13          1HH1      ARG  13   5.795   2.773   7.543
   98   HH22  ARG  13          2HH1      ARG  13   7.287   2.591   8.403
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1   3.664   5.653  -3.942
    2    HA2  GLY   1           2HA      GLY   1   1.450   5.828  -2.760
    3    HA3  GLY   1           1HA      GLY   1   1.250   6.203  -4.473
    4    H    CYS   2           H        CYS   2   2.039   3.095  -4.648
    5    HA   CYS   2           HA       CYS   2  -0.615   2.167  -5.217
    6    HB2  CYS   2           2HB      CYS   2   1.834   1.384  -5.882
    7    HB3  CYS   2           1HB      CYS   2   1.634   0.325  -4.485
    8    H    CYS   3           H        CYS   3   1.035   2.577  -2.245
    9    HA   CYS   3           HA       CYS   3  -0.005   0.393  -0.709
   10    HB2  CYS   3           2HB      CYS   3   1.859   2.012  -0.148
   11    HB3  CYS   3           1HB      CYS   3   0.616   3.221   0.195
   12    H    SER   4           H        SER   4  -1.606   3.059  -2.124
   13    HA   SER   4           HA       SER   4  -3.643   3.566  -0.155
   14    HB2  SER   4           2HB      SER   4  -4.525   4.921  -1.838
   15    HB3  SER   4           1HB      SER   4  -2.852   4.785  -2.368
   16    HG   SER   4           HG       SER   4  -5.028   4.071  -3.667
   17    H    GLU   5           H        GLU   5  -3.058   0.896  -2.229
   18    HA   GLU   5           HA       GLU   5  -5.891  -0.043  -1.931
   19    HB2  GLU   5           2HB      GLU   5  -3.745  -0.307  -4.000
   20    HB3  GLU   5           1HB      GLU   5  -4.891  -1.638  -3.826
   21    HG2  GLU   5           2HG      GLU   5  -6.409   0.758  -3.754
   22    HG3  GLU   5           1HG      GLU   5  -5.287   0.908  -5.105
   23    HA   PRO   6           HA       PRO   6  -4.354  -3.236   0.675
   24    HB2  PRO   6           2HB      PRO   6  -6.307  -5.114   0.306
   25    HB3  PRO   6           1HB      PRO   6  -6.560  -3.630   1.248
   26    HG2  PRO   6           2HG      PRO   6  -7.410  -4.283  -1.520
   27    HG3  PRO   6           1HG      PRO   6  -8.232  -3.324  -0.281
   28    HD2  PRO   6           2HD      PRO   6  -6.846  -2.265  -2.413
   29    HD3  PRO   6           1HD      PRO   6  -7.172  -1.405  -0.892
   30    H    ARG   7           H        ARG   7  -4.296  -3.418  -2.651
   31    HA   ARG   7           HA       ARG   7  -3.208  -6.213  -2.650
   32    HB2  ARG   7           2HB      ARG   7  -3.913  -6.299  -4.941
   33    HB3  ARG   7           1HB      ARG   7  -5.239  -5.550  -4.051
   34    HG2  ARG   7           2HG      ARG   7  -4.546  -3.339  -4.745
   35    HG3  ARG   7           1HG      ARG   7  -3.074  -3.984  -5.483
   36    HD2  ARG   7           2HD      ARG   7  -5.309  -5.414  -6.573
   37    HD3  ARG   7           1HD      ARG   7  -5.635  -3.675  -6.706
   38    HE   ARG   7           HE       ARG   7  -2.992  -3.857  -7.452
   39   HH11  ARG   7          1HH2      ARG   7  -5.903  -5.472  -8.376
   40   HH12  ARG   7          2HH2      ARG   7  -5.371  -5.777  -9.995
   41   HH21  ARG   7          1HH1      ARG   7  -2.290  -4.250  -9.562
   42   HH22  ARG   7          2HH1      ARG   7  -3.330  -5.084 -10.667
   43    H    CYS   8           H        CYS   8  -1.762  -3.635  -1.937
   44    HA   CYS   8           HA       CYS   8   0.516  -4.038  -3.810
   45    HB2  CYS   8           2HB      CYS   8  -1.331  -1.887  -3.922
   46    HB3  CYS   8           1HB      CYS   8   0.163  -1.229  -3.255
   47    H    ARG   9           H        ARG   9   0.092  -4.770  -1.008
   48    HA   ARG   9           HA       ARG   9   1.321  -2.900   0.793
   49    HB2  ARG   9           2HB      ARG   9   1.335  -4.785   2.287
   50    HB3  ARG   9           1HB      ARG   9  -0.097  -4.964   1.277
   51    HG2  ARG   9           2HG      ARG   9   2.463  -6.247   0.373
   52    HG3  ARG   9           1HG      ARG   9   1.538  -7.012   1.663
   53    HD2  ARG   9           2HD      ARG   9  -0.504  -6.678   0.038
   54    HD3  ARG   9           1HD      ARG   9   0.759  -6.568  -1.208
   55    HE   ARG   9           HE       ARG   9   1.566  -8.755   0.224
   56   HH11  ARG   9          1HH2      ARG   9  -1.455  -7.775  -1.135
   57   HH12  ARG   9          2HH2      ARG   9  -2.015  -9.395  -1.378
   58   HH21  ARG   9          1HH1      ARG   9   0.842 -10.869  -0.088
   59   HH22  ARG   9          2HH1      ARG   9  -0.719 -11.143  -0.787
   60    H    TYR  10           H        TYR  10   2.609  -5.095  -1.581
   61    HA   TYR  10           HA       TYR  10   5.165  -5.722  -0.723
   62    HB2  TYR  10           2HB      TYR  10   4.246  -4.675  -3.420
   63    HB3  TYR  10           1HB      TYR  10   5.736  -5.578  -3.148
   64    HD1  TYR  10           2HD      TYR  10   4.677  -7.496  -1.044
   65    HD2  TYR  10           1HD      TYR  10   3.090  -6.208  -4.818
   66    HE1  TYR  10           2HE      TYR  10   3.426  -9.622  -1.244
   67    HE2  TYR  10           1HE      TYR  10   1.839  -8.333  -5.019
   68    HH   TYR  10           HH       TYR  10   2.293 -10.847  -3.911
   69    H    ARG  11           H        ARG  11   5.186  -3.134  -3.093
   70    HA   ARG  11           HA       ARG  11   7.452  -1.804  -2.251
   71    HB2  ARG  11           2HB      ARG  11   6.286   0.236  -3.295
   72    HB3  ARG  11           1HB      ARG  11   6.415  -1.206  -4.299
   73    HG2  ARG  11           2HG      ARG  11   4.031  -1.669  -3.034
   74    HG3  ARG  11           1HG      ARG  11   4.014   0.089  -3.161
   75    HD2  ARG  11           2HD      ARG  11   3.056  -0.629  -5.213
   76    HD3  ARG  11           1HD      ARG  11   4.751  -0.316  -5.636
   77    HE   ARG  11           HE       ARG  11   4.220  -3.042  -4.681
   78   HH11  ARG  11          1HH2      ARG  11   4.434  -0.868  -7.361
   79   HH12  ARG  11          2HH2      ARG  11   4.752  -2.121  -8.511
   80   HH21  ARG  11          1HH1      ARG  11   4.639  -4.675  -6.175
   81   HH22  ARG  11          2HH1      ARG  11   4.869  -4.271  -7.843
   82    H    CYS  12           H        CYS  12   4.138  -0.882  -1.241
   83    HA   CYS  12           HA       CYS  12   4.645   1.217   0.479
   84    HB2  CYS  12           2HB      CYS  12   2.437   0.213  -0.009
   85    HB3  CYS  12           1HB      CYS  12   2.854  -1.183   0.986
   86    H    ARG  13           H        ARG  13   5.760   1.491   2.385
   87    HA   ARG  13           HA       ARG  13   7.185  -0.844   3.523
   88    HB2  ARG  13           2HB      ARG  13   8.449   1.163   3.074
   89    HB3  ARG  13           1HB      ARG  13   7.277   2.158   3.938
   90    HG2  ARG  13           2HG      ARG  13   9.018   1.881   5.505
   91    HG3  ARG  13           1HG      ARG  13   7.836   0.662   5.985
   92    HD2  ARG  13           2HD      ARG  13   9.285  -1.029   5.541
   93    HD3  ARG  13           1HD      ARG  13   9.693  -0.346   3.955
   94    HE   ARG  13           HE       ARG  13  11.525   0.768   4.960
   95   HH11  ARG  13          1HH2      ARG  13   9.254  -0.376   7.299
   96   HH12  ARG  13          2HH2      ARG  13  10.249   0.036   8.655
   97   HH21  ARG  13          1HH1      ARG  13  12.829   1.311   6.721
   98   HH22  ARG  13          2HH1      ARG  13  12.269   0.994   8.329
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1   1.795   6.385  -6.667
    2    HA2  GLY   1           2HA      GLY   1   2.568   4.838  -4.481
    3    HA3  GLY   1           1HA      GLY   1   1.118   5.842  -4.479
    4    H    CYS   2           H        CYS   2   2.083   2.775  -3.905
    5    HA   CYS   2           HA       CYS   2  -0.468   1.586  -4.931
    6    HB2  CYS   2           2HB      CYS   2   2.205   0.854  -5.291
    7    HB3  CYS   2           1HB      CYS   2   1.614  -0.267  -4.064
    8    H    CYS   3           H        CYS   3   1.291   2.501  -2.143
    9    HA   CYS   3           HA       CYS   3   0.488   0.554  -0.225
   10    HB2  CYS   3           2HB      CYS   3   1.728   3.143  -0.371
   11    HB3  CYS   3           1HB      CYS   3   0.532   3.166   0.928
   12    H    SER   4           H        SER   4  -1.264   3.172  -1.753
   13    HA   SER   4           HA       SER   4  -3.385   3.514   0.129
   14    HB2  SER   4           2HB      SER   4  -3.412   3.721  -2.899
   15    HB3  SER   4           1HB      SER   4  -4.511   4.535  -1.789
   16    HG   SER   4           HG       SER   4  -3.058   6.042  -1.718
   17    H    GLU   5           H        GLU   5  -2.619   0.858  -1.929
   18    HA   GLU   5           HA       GLU   5  -5.383  -0.249  -1.541
   19    HB2  GLU   5           2HB      GLU   5  -3.350  -0.588  -3.764
   20    HB3  GLU   5           1HB      GLU   5  -4.839  -1.528  -3.649
   21    HG2  GLU   5           2HG      GLU   5  -5.796   0.153  -4.825
   22    HG3  GLU   5           1HG      GLU   5  -5.732   1.068  -3.319
   23    HA   PRO   6           HA       PRO   6  -3.378  -3.471   0.696
   24    HB2  PRO   6           2HB      PRO   6  -5.387  -5.324   0.608
   25    HB3  PRO   6           1HB      PRO   6  -5.460  -3.875   1.633
   26    HG2  PRO   6           2HG      PRO   6  -6.779  -4.418  -0.971
   27    HG3  PRO   6           1HG      PRO   6  -7.372  -3.515   0.429
   28    HD2  PRO   6           2HD      PRO   6  -6.368  -2.363  -1.860
   29    HD3  PRO   6           1HD      PRO   6  -6.417  -1.569  -0.273
   30    H    ARG   7           H        ARG   7  -4.765  -4.003  -2.490
   31    HA   ARG   7           HA       ARG   7  -3.879  -6.625  -3.071
   32    HB2  ARG   7           2HB      ARG   7  -3.893  -4.240  -4.944
   33    HB3  ARG   7           1HB      ARG   7  -4.177  -5.929  -5.364
   34    HG2  ARG   7           2HG      ARG   7  -6.063  -5.532  -3.419
   35    HG3  ARG   7           1HG      ARG   7  -6.022  -3.947  -4.195
   36    HD2  ARG   7           2HD      ARG   7  -6.215  -6.498  -5.819
   37    HD3  ARG   7           1HD      ARG   7  -7.655  -5.651  -5.217
   38    HE   ARG   7           HE       ARG   7  -6.105  -3.644  -6.362
   39   HH11  ARG   7          1HH2      ARG   7  -7.440  -6.669  -7.364
   40   HH12  ARG   7          2HH2      ARG   7  -7.627  -6.184  -9.016
   41   HH21  ARG   7          1HH1      ARG   7  -6.350  -3.002  -8.512
   42   HH22  ARG   7          2HH1      ARG   7  -7.014  -4.111  -9.664
   43    H    CYS   8           H        CYS   8  -2.187  -3.547  -3.813
   44    HA   CYS   8           HA       CYS   8   0.374  -5.103  -3.967
   45    HB2  CYS   8           2HB      CYS   8   1.089  -3.260  -5.448
   46    HB3  CYS   8           1HB      CYS   8  -0.421  -3.964  -6.026
   47    H    ARG   9           H        ARG   9  -0.736  -4.204  -1.438
   48    HA   ARG   9           HA       ARG   9   0.199  -1.722  -0.482
   49    HB2  ARG   9           2HB      ARG   9   0.146  -2.912   1.717
   50    HB3  ARG   9           1HB      ARG   9  -1.279  -3.245   0.733
   51    HG2  ARG   9           2HG      ARG   9  -0.793  -5.428   1.142
   52    HG3  ARG   9           1HG      ARG   9   0.435  -5.213  -0.110
   53    HD2  ARG   9           2HD      ARG   9   1.599  -6.144   1.770
   54    HD3  ARG   9           1HD      ARG   9   1.985  -4.411   1.801
   55    HE   ARG   9           HE       ARG   9  -0.333  -4.551   3.284
   56   HH11  ARG   9          1HH2      ARG   9   2.692  -6.220   3.318
   57   HH12  ARG   9          2HH2      ARG   9   2.662  -6.505   5.025
   58   HH21  ARG   9          1HH1      ARG   9  -0.379  -4.916   5.513
   59   HH22  ARG   9          2HH1      ARG   9   0.928  -5.766   6.267
   60    H    TYR  10           H        TYR  10   1.979  -4.704  -1.115
   61    HA   TYR  10           HA       TYR  10   4.311  -4.343   0.391
   62    HB2  TYR  10           2HB      TYR  10   3.577  -5.552  -2.239
   63    HB3  TYR  10           1HB      TYR  10   5.299  -5.385  -1.877
   64    HD1  TYR  10           2HD      TYR  10   6.200  -6.340   0.282
   65    HD2  TYR  10           1HD      TYR  10   2.264  -7.221  -1.187
   66    HE1  TYR  10           2HE      TYR  10   6.089  -8.315   1.770
   67    HE2  TYR  10           1HE      TYR  10   2.151  -9.198   0.303
   68    HH   TYR  10           HH       TYR  10   4.830  -9.981   2.523
   69    H    ARG  11           H        ARG  11   5.030  -3.874  -2.974
   70    HA   ARG  11           HA       ARG  11   6.739  -1.640  -2.448
   71    HB2  ARG  11           2HB      ARG  11   7.287  -1.857  -4.701
   72    HB3  ARG  11           1HB      ARG  11   6.688  -3.465  -4.315
   73    HG2  ARG  11           2HG      ARG  11   5.143  -1.246  -5.686
   74    HG3  ARG  11           1HG      ARG  11   5.728  -2.733  -6.413
   75    HD2  ARG  11           2HD      ARG  11   3.786  -2.733  -4.086
   76    HD3  ARG  11           1HD      ARG  11   3.268  -2.787  -5.781
   77    HE   ARG  11           HE       ARG  11   4.494  -4.985  -4.337
   78   HH11  ARG  11          1HH2      ARG  11   4.200  -3.387  -7.385
   79   HH12  ARG  11          2HH2      ARG  11   4.593  -4.799  -8.307
   80   HH21  ARG  11          1HH1      ARG  11   5.016  -6.827  -5.528
   81   HH22  ARG  11          2HH1      ARG  11   5.057  -6.743  -7.257
   82    H    CYS  12           H        CYS  12   5.831   0.225  -1.681
   83    HA   CYS  12           HA       CYS  12   3.273   1.218  -2.795
   84    HB2  CYS  12           2HB      CYS  12   5.129   2.279  -0.637
   85    HB3  CYS  12           1HB      CYS  12   3.482   2.828  -0.943
   86    H    ARG  13           H        ARG  13   4.206   4.028  -2.193
   87    HA   ARG  13           HA       ARG  13   4.852   5.834  -3.602
   88    HB2  ARG  13           2HB      ARG  13   7.269   3.999  -3.731
   89    HB3  ARG  13           1HB      ARG  13   7.280   5.751  -3.936
   90    HG2  ARG  13           2HG      ARG  13   6.957   6.160  -1.689
   91    HG3  ARG  13           1HG      ARG  13   6.058   4.662  -1.440
   92    HD2  ARG  13           2HD      ARG  13   8.347   3.490  -1.950
   93    HD3  ARG  13           1HD      ARG  13   9.041   5.074  -1.546
   94    HE   ARG  13           HE       ARG  13   7.028   4.188   0.373
   95   HH11  ARG  13          1HH2      ARG  13  10.338   4.047  -0.602
   96   HH12  ARG  13          2HH2      ARG  13  10.927   3.714   0.992
   97   HH21  ARG  13          1HH1      ARG  13   7.782   3.757   2.452
   98   HH22  ARG  13          2HH1      ARG  13   9.481   3.551   2.720
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1   2.797   5.349  -7.238
    2    HA2  GLY   1           2HA      GLY   1   2.758   4.301  -5.134
    3    HA3  GLY   1           1HA      GLY   1   1.754   5.672  -4.654
    4    H    CYS   2           H        CYS   2   1.764   2.385  -4.754
    5    HA   CYS   2           HA       CYS   2  -1.201   2.237  -5.087
    6    HB2  CYS   2           2HB      CYS   2  -0.656  -0.176  -5.662
    7    HB3  CYS   2           1HB      CYS   2  -0.065   1.012  -6.816
    8    H    CYS   3           H        CYS   3   1.119   2.345  -2.758
    9    HA   CYS   3           HA       CYS   3   0.627   0.102  -1.071
   10    HB2  CYS   3           2HB      CYS   3   2.188   2.382  -1.094
   11    HB3  CYS   3           1HB      CYS   3   1.087   2.693   0.252
   12    H    SER   4           H        SER   4  -1.210   3.056  -1.621
   13    HA   SER   4           HA       SER   4  -2.837   3.184   0.672
   14    HB2  SER   4           2HB      SER   4  -3.065   3.867  -2.224
   15    HB3  SER   4           1HB      SER   4  -4.548   3.905  -1.276
   16    HG   SER   4           HG       SER   4  -3.764   5.855  -0.877
   17    H    GLU   5           H        GLU   5  -3.869   1.651  -2.399
   18    HA   GLU   5           HA       GLU   5  -6.073   0.234  -1.298
   19    HB2  GLU   5           2HB      GLU   5  -5.696  -1.172  -3.418
   20    HB3  GLU   5           1HB      GLU   5  -5.890   0.563  -3.653
   21    HG2  GLU   5           2HG      GLU   5  -3.635   0.891  -4.129
   22    HG3  GLU   5           1HG      GLU   5  -3.134  -0.542  -3.231
   23    HA   PRO   6           HA       PRO   6  -4.246  -3.262   0.608
   24    HB2  PRO   6           2HB      PRO   6  -6.031  -5.243  -0.001
   25    HB3  PRO   6           1HB      PRO   6  -6.388  -3.935   1.146
   26    HG2  PRO   6           2HG      PRO   6  -7.305  -4.307  -1.640
   27    HG3  PRO   6           1HG      PRO   6  -8.110  -3.519  -0.277
   28    HD2  PRO   6           2HD      PRO   6  -6.803  -2.227  -2.373
   29    HD3  PRO   6           1HD      PRO   6  -7.260  -1.490  -0.824
   30    H    ARG   7           H        ARG   7  -5.241  -3.841  -2.767
   31    HA   ARG   7           HA       ARG   7  -3.907  -6.202  -3.391
   32    HB2  ARG   7           2HB      ARG   7  -4.769  -3.746  -4.734
   33    HB3  ARG   7           1HB      ARG   7  -3.394  -4.505  -5.538
   34    HG2  ARG   7           2HG      ARG   7  -5.285  -6.525  -4.737
   35    HG3  ARG   7           1HG      ARG   7  -6.105  -5.286  -5.691
   36    HD2  ARG   7           2HD      ARG   7  -5.229  -6.234  -7.552
   37    HD3  ARG   7           1HD      ARG   7  -3.616  -5.775  -6.977
   38    HE   ARG   7           HE       ARG   7  -4.845  -8.428  -6.704
   39   HH11  ARG   7          1HH2      ARG   7  -2.509  -6.154  -5.553
   40   HH12  ARG   7          2HH2      ARG   7  -1.487  -7.366  -4.859
   41   HH21  ARG   7          1HH1      ARG   7  -3.519 -10.010  -5.801
   42   HH22  ARG   7          2HH1      ARG   7  -2.056  -9.544  -4.999
   43    H    CYS   8           H        CYS   8  -2.294  -3.325  -4.615
   44    HA   CYS   8           HA       CYS   8   0.333  -4.307  -4.473
   45    HB2  CYS   8           2HB      CYS   8  -0.187  -2.332  -5.718
   46    HB3  CYS   8           1HB      CYS   8  -0.876  -1.536  -4.305
   47    H    ARG   9           H        ARG   9   1.348  -5.053  -2.624
   48    HA   ARG   9           HA       ARG   9   0.694  -3.765  -0.019
   49    HB2  ARG   9           2HB      ARG   9   1.566  -5.810   0.930
   50    HB3  ARG   9           1HB      ARG   9   0.525  -6.254  -0.422
   51    HG2  ARG   9           2HG      ARG   9   2.494  -6.484  -1.880
   52    HG3  ARG   9           1HG      ARG   9   3.548  -6.017  -0.545
   53    HD2  ARG   9           2HD      ARG   9   3.681  -8.280  -0.193
   54    HD3  ARG   9           1HD      ARG   9   2.108  -8.061   0.597
   55    HE   ARG   9           HE       ARG   9   1.380  -8.293  -2.025
   56   HH11  ARG   9          1HH2      ARG   9   3.495 -10.115   0.016
   57   HH12  ARG   9          2HH2      ARG   9   3.241 -11.601  -0.835
   58   HH21  ARG   9          1HH1      ARG   9   1.040 -10.229  -3.131
   59   HH22  ARG   9          2HH1      ARG   9   1.851 -11.667  -2.608
   60    H    TYR  10           H        TYR  10   3.229  -4.826   1.087
   61    HA   TYR  10           HA       TYR  10   4.862  -2.667   1.368
   62    HB2  TYR  10           2HB      TYR  10   5.848  -5.480   0.799
   63    HB3  TYR  10           1HB      TYR  10   6.640  -4.266   1.809
   64    HD1  TYR  10           1HD      TYR  10   4.014  -3.184   3.030
   65    HD2  TYR  10           2HD      TYR  10   5.606  -7.139   2.533
   66    HE1  TYR  10           1HE      TYR  10   2.707  -3.958   4.986
   67    HE2  TYR  10           2HE      TYR  10   4.302  -7.911   4.488
   68    HH   TYR  10           HH       TYR  10   2.507  -5.655   6.510
   69    H    ARG  11           H        ARG  11   4.629  -4.607  -1.571
   70    HA   ARG  11           HA       ARG  11   7.023  -3.749  -2.864
   71    HB2  ARG  11           2HB      ARG  11   4.304  -4.701  -3.768
   72    HB3  ARG  11           1HB      ARG  11   5.576  -4.323  -4.931
   73    HG2  ARG  11           2HG      ARG  11   6.146  -6.513  -4.603
   74    HG3  ARG  11           1HG      ARG  11   6.977  -5.859  -3.192
   75    HD2  ARG  11           2HD      ARG  11   4.255  -6.240  -2.446
   76    HD3  ARG  11           1HD      ARG  11   4.802  -7.730  -3.238
   77    HE   ARG  11           HE       ARG  11   5.860  -6.632  -0.735
   78   HH11  ARG  11          1HH2      ARG  11   6.426  -8.576  -3.535
   79   HH12  ARG  11          2HH2      ARG  11   7.654  -9.533  -2.780
   80   HH21  ARG  11          1HH1      ARG  11   7.465  -7.871   0.256
   81   HH22  ARG  11          2HH1      ARG  11   8.242  -9.136  -0.635
   82    H    CYS  12           H        CYS  12   4.265  -1.909  -2.011
   83    HA   CYS  12           HA       CYS  12   3.986  -0.117  -4.194
   84    HB2  CYS  12           2HB      CYS  12   3.164   1.431  -2.377
   85    HB3  CYS  12           1HB      CYS  12   2.455  -0.182  -2.310
   86    H    ARG  13           H        ARG  13   6.173   0.246  -5.007
   87    HA   ARG  13           HA       ARG  13   8.295   1.313  -5.067
   88    HB2  ARG  13           2HB      ARG  13   6.399   3.259  -3.725
   89    HB3  ARG  13           1HB      ARG  13   8.007   3.722  -4.282
   90    HG2  ARG  13           2HG      ARG  13   6.290   2.264  -6.226
   91    HG3  ARG  13           1HG      ARG  13   5.832   3.925  -5.852
   92    HD2  ARG  13           2HD      ARG  13   7.421   4.593  -7.328
   93    HD3  ARG  13           1HD      ARG  13   8.638   3.980  -6.190
   94    HE   ARG  13           HE       ARG  13   7.529   1.779  -7.647
   95   HH11  ARG  13          1HH2      ARG  13   9.552   4.556  -8.010
   96   HH12  ARG  13          2HH2      ARG  13  10.493   3.861  -9.288
   97   HH21  ARG  13          1HH1      ARG  13   8.750   0.866  -9.314
   98   HH22  ARG  13          2HH1      ARG  13  10.038   1.778 -10.027
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1   3.271   5.291  -6.759
    2    HA2  GLY   1           2HA      GLY   1   4.003   3.529  -4.663
    3    HA3  GLY   1           1HA      GLY   1   2.842   4.847  -4.494
    4    H    CYS   2           H        CYS   2   0.594   4.393  -5.125
    5    HA   CYS   2           HA       CYS   2  -1.356   3.073  -5.092
    6    HB2  CYS   2           2HB      CYS   2  -0.376   2.085  -7.071
    7    HB3  CYS   2           1HB      CYS   2   0.701   1.088  -6.102
    8    H    CYS   3           H        CYS   3   1.097   2.715  -2.901
    9    HA   CYS   3           HA       CYS   3   0.539   0.249  -1.583
   10    HB2  CYS   3           2HB      CYS   3   2.329   2.266  -1.346
   11    HB3  CYS   3           1HB      CYS   3   1.265   2.658   0.009
   12    H    SER   4           H        SER   4  -1.403   3.039  -1.929
   13    HA   SER   4           HA       SER   4  -2.794   3.073   0.582
   14    HB2  SER   4           2HB      SER   4  -4.538   3.908  -1.456
   15    HB3  SER   4           1HB      SER   4  -3.452   4.932  -0.523
   16    HG   SER   4           HG       SER   4  -3.205   3.908  -3.097
   17    H    GLU   5           H        GLU   5  -3.017   0.963  -2.203
   18    HA   GLU   5           HA       GLU   5  -5.659  -0.084  -1.341
   19    HB2  GLU   5           2HB      GLU   5  -3.949  -0.076  -3.749
   20    HB3  GLU   5           1HB      GLU   5  -4.818  -1.586  -3.479
   21    HG2  GLU   5           2HG      GLU   5  -6.650   0.510  -2.935
   22    HG3  GLU   5           1HG      GLU   5  -5.845   0.919  -4.451
   23    HA   PRO   6           HA       PRO   6  -4.091  -3.697   0.572
   24    HB2  PRO   6           2HB      PRO   6  -5.699  -5.684  -0.397
   25    HB3  PRO   6           1HB      PRO   6  -6.268  -4.448   0.747
   26    HG2  PRO   6           2HG      PRO   6  -6.691  -4.654  -2.184
   27    HG3  PRO   6           1HG      PRO   6  -7.774  -4.049  -0.922
   28    HD2  PRO   6           2HD      PRO   6  -6.306  -2.456  -2.625
   29    HD3  PRO   6           1HD      PRO   6  -6.932  -1.940  -1.045
   30    H    ARG   7           H        ARG   7  -4.794  -4.524  -2.847
   31    HA   ARG   7           HA       ARG   7  -2.893  -6.626  -3.090
   32    HB2  ARG   7           2HB      ARG   7  -3.317  -6.383  -5.437
   33    HB3  ARG   7           1HB      ARG   7  -4.808  -5.908  -4.627
   34    HG2  ARG   7           2HG      ARG   7  -3.844  -3.501  -4.710
   35    HG3  ARG   7           1HG      ARG   7  -2.730  -4.147  -5.920
   36    HD2  ARG   7           2HD      ARG   7  -5.223  -5.135  -6.715
   37    HD3  ARG   7           1HD      ARG   7  -5.551  -3.464  -6.216
   38    HE   ARG   7           HE       ARG   7  -4.179  -2.714  -7.994
   39   HH11  ARG   7          1HH2      ARG   7  -3.713  -6.069  -7.314
   40   HH12  ARG   7          2HH2      ARG   7  -2.691  -6.337  -8.685
   41   HH21  ARG   7          1HH1      ARG   7  -2.850  -3.054  -9.785
   42   HH22  ARG   7          2HH1      ARG   7  -2.201  -4.632 -10.083
   43    H    CYS   8           H        CYS   8  -2.406  -3.241  -2.780
   44    HA   CYS   8           HA       CYS   8   0.336  -3.389  -3.968
   45    HB2  CYS   8           2HB      CYS   8  -1.762  -1.343  -3.503
   46    HB3  CYS   8           1HB      CYS   8  -0.104  -0.790  -3.284
   47    H    ARG   9           H        ARG   9  -0.349  -4.601  -1.336
   48    HA   ARG   9           HA       ARG   9   0.321  -2.959   0.871
   49    HB2  ARG   9           2HB      ARG   9  -0.387  -5.565   0.408
   50    HB3  ARG   9           1HB      ARG   9   1.288  -5.750   0.921
   51    HG2  ARG   9           2HG      ARG   9   0.255  -3.865   2.692
   52    HG3  ARG   9           1HG      ARG   9  -1.052  -5.039   2.503
   53    HD2  ARG   9           2HD      ARG   9   0.742  -6.854   2.873
   54    HD3  ARG   9           1HD      ARG   9   1.780  -5.536   3.450
   55    HE   ARG   9           HE       ARG   9  -0.620  -5.124   4.777
   56   HH11  ARG   9          1HH2      ARG   9   1.592  -7.746   4.382
   57   HH12  ARG   9          2HH2      ARG   9   1.259  -8.430   5.938
   58   HH21  ARG   9          1HH1      ARG   9  -1.058  -6.005   6.811
   59   HH22  ARG   9          2HH1      ARG   9  -0.238  -7.447   7.311
   60    H    TYR  10           H        TYR  10   2.609  -5.457  -0.269
   61    HA   TYR  10           HA       TYR  10   4.851  -3.704   0.530
   62    HB2  TYR  10           2HB      TYR  10   4.371  -6.588  -0.114
   63    HB3  TYR  10           1HB      TYR  10   6.022  -5.968  -0.234
   64    HD1  TYR  10           2HD      TYR  10   3.555  -4.547   2.097
   65    HD2  TYR  10           1HD      TYR  10   6.842  -7.271   1.651
   66    HE1  TYR  10           2HE      TYR  10   3.772  -4.689   4.558
   67    HE2  TYR  10           1HE      TYR  10   7.058  -7.415   4.110
   68    HH   TYR  10           HH       TYR  10   5.201  -5.328   6.246
   69    H    ARG  11           H        ARG  11   3.126  -4.442  -2.322
   70    HA   ARG  11           HA       ARG  11   5.173  -4.482  -4.304
   71    HB2  ARG  11           2HB      ARG  11   2.276  -4.065  -4.071
   72    HB3  ARG  11           1HB      ARG  11   2.990  -3.215  -5.442
   73    HG2  ARG  11           2HG      ARG  11   2.577  -5.299  -6.390
   74    HG3  ARG  11           1HG      ARG  11   4.234  -5.513  -5.823
   75    HD2  ARG  11           2HD      ARG  11   1.832  -6.245  -4.122
   76    HD3  ARG  11           1HD      ARG  11   2.642  -7.403  -5.194
   77    HE   ARG  11           HE       ARG  11   3.733  -6.348  -2.704
   78   HH11  ARG  11          1HH2      ARG  11   4.413  -7.557  -5.868
   79   HH12  ARG  11          2HH2      ARG  11   6.008  -8.094  -5.460
   80   HH21  ARG  11          1HH1      ARG  11   5.811  -7.048  -2.162
   81   HH22  ARG  11          2HH1      ARG  11   6.798  -7.806  -3.366
   82    H    CYS  12           H        CYS  12   3.841  -1.836  -2.426
   83    HA   CYS  12           HA       CYS  12   4.786   0.275  -4.208
   84    HB2  CYS  12           2HB      CYS  12   3.975   1.711  -2.437
   85    HB3  CYS  12           1HB      CYS  12   2.847   0.365  -2.585
   86    H    ARG  13           H        ARG  13   6.990  -1.273  -3.946
   87    HA   ARG  13           HA       ARG  13   8.694   0.152  -1.925
   88    HB2  ARG  13           2HB      ARG  13   8.373  -2.226  -1.431
   89    HB3  ARG  13           1HB      ARG  13   8.853  -2.656  -3.073
   90    HG2  ARG  13           2HG      ARG  13  11.053  -2.498  -2.577
   91    HG3  ARG  13           1HG      ARG  13  10.830  -0.959  -1.744
   92    HD2  ARG  13           2HD      ARG  13   9.688  -2.553   0.090
   93    HD3  ARG  13           1HD      ARG  13  10.807  -3.727  -0.628
   94    HE   ARG  13           HE       ARG  13  11.575  -1.353   0.896
   95   HH11  ARG  13          1HH2      ARG  13  12.432  -3.632  -1.556
   96   HH12  ARG  13          2HH2      ARG  13  14.135  -3.407  -1.349
   97   HH21  ARG  13          1HH1      ARG  13  13.795  -1.052   1.172
   98   HH22  ARG  13          2HH1      ARG  13  14.906  -1.951   0.194
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1   4.438   4.974  -4.482
    2    HA2  GLY   1           2HA      GLY   1   2.250   5.456  -3.784
    3    HA3  GLY   1           1HA      GLY   1   1.935   5.885  -5.466
    4    H    CYS   2           H        CYS   2   2.207   3.044  -3.322
    5    HA   CYS   2           HA       CYS   2   0.045   1.761  -4.944
    6    HB2  CYS   2           2HB      CYS   2   2.799   1.015  -4.633
    7    HB3  CYS   2           1HB      CYS   2   1.793  -0.216  -3.873
    8    H    CYS   3           H        CYS   3   0.915   2.942  -1.978
    9    HA   CYS   3           HA       CYS   3  -0.156   0.795  -0.290
   10    HB2  CYS   3           2HB      CYS   3   1.398   3.181  -0.051
   11    HB3  CYS   3           1HB      CYS   3   0.006   3.334   1.024
   12    H    SER   4           H        SER   4  -1.728   2.615  -2.426
   13    HA   SER   4           HA       SER   4  -3.843   3.822  -0.826
   14    HB2  SER   4           2HB      SER   4  -3.038   4.446  -3.167
   15    HB3  SER   4           1HB      SER   4  -3.863   3.002  -3.745
   16    HG   SER   4           HG       SER   4  -5.658   4.091  -2.333
   17    H    GLU   5           H        GLU   5  -3.395   0.767  -2.581
   18    HA   GLU   5           HA       GLU   5  -6.042  -0.181  -1.541
   19    HB2  GLU   5           2HB      GLU   5  -4.467  -0.487  -4.017
   20    HB3  GLU   5           1HB      GLU   5  -5.174  -1.991  -3.426
   21    HG2  GLU   5           2HG      GLU   5  -7.322  -1.288  -3.801
   22    HG3  GLU   5           1HG      GLU   5  -6.953   0.389  -3.396
   23    HA   PRO   6           HA       PRO   6  -4.009  -3.151   0.966
   24    HB2  PRO   6           2HB      PRO   6  -5.648  -5.329   0.726
   25    HB3  PRO   6           1HB      PRO   6  -6.103  -3.872   1.635
   26    HG2  PRO   6           2HG      PRO   6  -6.910  -4.729  -1.096
   27    HG3  PRO   6           1HG      PRO   6  -7.855  -3.911   0.158
   28    HD2  PRO   6           2HD      PRO   6  -6.768  -2.642  -2.010
   29    HD3  PRO   6           1HD      PRO   6  -7.128  -1.840  -0.466
   30    H    ARG   7           H        ARG   7  -4.666  -3.980  -2.374
   31    HA   ARG   7           HA       ARG   7  -3.186  -6.455  -2.482
   32    HB2  ARG   7           2HB      ARG   7  -4.007  -4.359  -4.509
   33    HB3  ARG   7           1HB      ARG   7  -3.245  -5.884  -4.961
   34    HG2  ARG   7           2HG      ARG   7  -5.523  -6.152  -3.103
   35    HG3  ARG   7           1HG      ARG   7  -5.946  -5.537  -4.706
   36    HD2  ARG   7           2HD      ARG   7  -5.033  -7.465  -5.796
   37    HD3  ARG   7           1HD      ARG   7  -4.223  -8.005  -4.312
   38    HE   ARG   7           HE       ARG   7  -7.048  -8.371  -4.930
   39   HH11  ARG   7          1HH2      ARG   7  -4.668  -7.926  -2.466
   40   HH12  ARG   7          2HH2      ARG   7  -5.606  -8.710  -1.241
   41   HH21  ARG   7          1HH1      ARG   7  -8.279  -9.390  -3.338
   42   HH22  ARG   7          2HH1      ARG   7  -7.647  -9.536  -1.732
   43    H    CYS   8           H        CYS   8  -2.283  -3.381  -4.057
   44    HA   CYS   8           HA       CYS   8   0.490  -4.050  -4.298
   45    HB2  CYS   8           2HB      CYS   8  -1.229  -2.198  -5.303
   46    HB3  CYS   8           1HB      CYS   8  -0.326  -1.202  -4.163
   47    H    ARG   9           H        ARG   9   0.369  -4.728  -1.741
   48    HA   ARG   9           HA       ARG   9   1.081  -2.359  -0.078
   49    HB2  ARG   9           2HB      ARG   9   0.355  -3.631   1.724
   50    HB3  ARG   9           1HB      ARG   9  -0.623  -4.328   0.441
   51    HG2  ARG   9           2HG      ARG   9   2.036  -5.604   0.821
   52    HG3  ARG   9           1HG      ARG   9   0.902  -5.798   2.153
   53    HD2  ARG   9           2HD      ARG   9  -0.734  -6.292   0.016
   54    HD3  ARG   9           1HD      ARG   9   0.808  -6.950  -0.564
   55    HE   ARG   9           HE       ARG   9   0.686  -7.848   2.042
   56   HH11  ARG   9          1HH2      ARG   9  -1.421  -7.944  -0.692
   57   HH12  ARG   9          2HH2      ARG   9  -2.179  -9.427  -0.217
   58   HH21  ARG   9          1HH1      ARG   9  -0.298  -9.778   2.674
   59   HH22  ARG   9          2HH1      ARG   9  -1.546 -10.462   1.687
   60    H    TYR  10           H        TYR  10   2.472  -5.206  -1.557
   61    HA   TYR  10           HA       TYR  10   4.822  -5.541  -0.004
   62    HB2  TYR  10           2HB      TYR  10   4.191  -5.890  -2.949
   63    HB3  TYR  10           1HB      TYR  10   5.705  -6.439  -2.222
   64    HD1  TYR  10           1HD      TYR  10   5.298  -7.747   0.123
   65    HD2  TYR  10           2HD      TYR  10   2.523  -7.491  -3.144
   66    HE1  TYR  10           1HE      TYR  10   4.194  -9.821   0.899
   67    HE2  TYR  10           2HE      TYR  10   1.419  -9.566  -2.366
   68    HH   TYR  10           HH       TYR  10   2.225 -11.653  -0.934
   69    H    ARG  11           H        ARG  11   4.404  -3.613  -2.993
   70    HA   ARG  11           HA       ARG  11   6.985  -2.445  -3.043
   71    HB2  ARG  11           2HB      ARG  11   4.244  -1.690  -4.040
   72    HB3  ARG  11           1HB      ARG  11   5.621  -0.624  -4.327
   73    HG2  ARG  11           2HG      ARG  11   6.530  -2.018  -5.871
   74    HG3  ARG  11           1HG      ARG  11   6.163  -3.457  -4.918
   75    HD2  ARG  11           2HD      ARG  11   3.741  -2.177  -5.962
   76    HD3  ARG  11           1HD      ARG  11   4.844  -2.715  -7.246
   77    HE   ARG  11           HE       ARG  11   4.536  -4.677  -5.104
   78   HH11  ARG  11          1HH2      ARG  11   3.288  -3.408  -8.068
   79   HH12  ARG  11          2HH2      ARG  11   2.495  -4.881  -8.514
   80   HH21  ARG  11          1HH1      ARG  11   3.501  -6.601  -5.677
   81   HH22  ARG  11          2HH1      ARG  11   2.615  -6.685  -7.163
   82    H    CYS  12           H        CYS  12   4.155  -0.416  -2.341
   83    HA   CYS  12           HA       CYS  12   5.439   1.608  -0.944
   84    HB2  CYS  12           2HB      CYS  12   3.274   2.242  -0.314
   85    HB3  CYS  12           1HB      CYS  12   2.937   1.153  -1.655
   86    H    ARG  13           H        ARG  13   6.013   1.955   1.264
   87    HA   ARG  13           HA       ARG  13   6.888   1.270   3.356
   88    HB2  ARG  13           2HB      ARG  13   4.185   0.785   3.149
   89    HB3  ARG  13           1HB      ARG  13   4.799  -0.789   3.656
   90    HG2  ARG  13           2HG      ARG  13   4.352   0.412   5.672
   91    HG3  ARG  13           1HG      ARG  13   6.104   0.452   5.464
   92    HD2  ARG  13           2HD      ARG  13   5.610   2.706   5.943
   93    HD3  ARG  13           1HD      ARG  13   5.605   2.703   4.167
   94    HE   ARG  13           HE       ARG  13   3.268   3.031   4.240
   95   HH11  ARG  13          1HH2      ARG  13   4.479   1.789   7.228
   96   HH12  ARG  13          2HH2      ARG  13   2.949   1.878   8.032
   97   HH21  ARG  13          1HH1      ARG  13   1.268   3.145   5.279
   98   HH22  ARG  13          2HH1      ARG  13   1.134   2.647   6.932
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1   4.074   2.075  -5.419
    2    HA2  GLY   1           2HA      GLY   1   4.046   3.973  -3.102
    3    HA3  GLY   1           1HA      GLY   1   3.955   4.517  -4.778
    4    H    CYS   2           H        CYS   2   2.237   1.809  -4.940
    5    HA   CYS   2           HA       CYS   2  -0.335   3.239  -4.674
    6    HB2  CYS   2           2HB      CYS   2  -1.157   1.165  -5.809
    7    HB3  CYS   2           1HB      CYS   2   0.164   1.941  -6.680
    8    H    CYS   3           H        CYS   3   1.469   1.938  -2.394
    9    HA   CYS   3           HA       CYS   3   0.306  -0.194  -1.094
   10    HB2  CYS   3           2HB      CYS   3   2.180   1.491  -0.449
   11    HB3  CYS   3           1HB      CYS   3   0.886   2.386   0.353
   12    H    SER   4           H        SER   4  -1.159   2.961  -1.599
   13    HA   SER   4           HA       SER   4  -3.089   3.249   0.331
   14    HB2  SER   4           2HB      SER   4  -3.554   3.390  -2.663
   15    HB3  SER   4           1HB      SER   4  -4.439   4.279  -1.427
   16    HG   SER   4           HG       SER   4  -2.659   5.476  -1.007
   17    H    GLU   5           H        GLU   5  -3.689   1.286  -2.621
   18    HA   GLU   5           HA       GLU   5  -6.110   0.115  -1.565
   19    HB2  GLU   5           2HB      GLU   5  -4.501   0.141  -3.972
   20    HB3  GLU   5           1HB      GLU   5  -5.057  -1.497  -3.621
   21    HG2  GLU   5           2HG      GLU   5  -7.241  -0.978  -4.003
   22    HG3  GLU   5           1HG      GLU   5  -7.095   0.608  -3.245
   23    HA   PRO   6           HA       PRO   6  -4.485  -3.283   0.677
   24    HB2  PRO   6           2HB      PRO   6  -6.474  -5.120   0.334
   25    HB3  PRO   6           1HB      PRO   6  -6.654  -3.678   1.355
   26    HG2  PRO   6           2HG      PRO   6  -7.712  -4.224  -1.353
   27    HG3  PRO   6           1HG      PRO   6  -8.395  -3.248  -0.047
   28    HD2  PRO   6           2HD      PRO   6  -7.075  -2.261  -2.289
   29    HD3  PRO   6           1HD      PRO   6  -7.378  -1.363  -0.788
   30    H    ARG   7           H        ARG   7  -4.238  -3.239  -2.544
   31    HA   ARG   7           HA       ARG   7  -3.721  -6.150  -2.898
   32    HB2  ARG   7           2HB      ARG   7  -3.151  -5.098  -5.314
   33    HB3  ARG   7           1HB      ARG   7  -4.794  -5.479  -4.818
   34    HG2  ARG   7           2HG      ARG   7  -5.285  -3.213  -4.312
   35    HG3  ARG   7           1HG      ARG   7  -3.578  -2.756  -4.326
   36    HD2  ARG   7           2HD      ARG   7  -3.687  -3.610  -6.835
   37    HD3  ARG   7           1HD      ARG   7  -5.419  -3.274  -6.644
   38    HE   ARG   7           HE       ARG   7  -3.815  -1.110  -5.587
   39   HH11  ARG   7          1HH2      ARG   7  -5.046  -2.565  -8.471
   40   HH12  ARG   7          2HH2      ARG   7  -5.035  -1.087  -9.375
   41   HH21  ARG   7          1HH1      ARG   7  -3.801   0.823  -6.758
   42   HH22  ARG   7          2HH1      ARG   7  -4.330   0.828  -8.407
   43    H    CYS   8           H        CYS   8  -1.878  -3.495  -4.381
   44    HA   CYS   8           HA       CYS   8   0.629  -4.862  -3.827
   45    HB2  CYS   8           2HB      CYS   8   1.559  -2.831  -4.926
   46    HB3  CYS   8           1HB      CYS   8   0.216  -3.515  -5.842
   47    H    ARG   9           H        ARG   9   0.564  -4.964  -1.447
   48    HA   ARG   9           HA       ARG   9   0.804  -2.344  -0.041
   49    HB2  ARG   9           2HB      ARG   9   0.971  -4.717   1.641
   50    HB3  ARG   9           1HB      ARG   9  -0.212  -3.417   1.681
   51    HG2  ARG   9           2HG      ARG   9  -1.597  -5.189   1.151
   52    HG3  ARG   9           1HG      ARG   9  -1.148  -4.682  -0.479
   53    HD2  ARG   9           2HD      ARG   9  -0.715  -6.997  -0.549
   54    HD3  ARG   9           1HD      ARG   9   0.879  -6.352  -0.106
   55    HE   ARG   9           HE       ARG   9  -0.354  -6.648   2.336
   56   HH11  ARG   9          1HH2      ARG   9   0.115  -8.690  -0.410
   57   HH12  ARG   9          2HH2      ARG   9   0.164 -10.148   0.521
   58   HH21  ARG   9          1HH1      ARG   9  -0.291  -8.545   3.561
   59   HH22  ARG   9          2HH1      ARG   9  -0.064 -10.068   2.765
   60    H    TYR  10           H        TYR  10   2.862  -4.192  -1.678
   61    HA   TYR  10           HA       TYR  10   4.989  -4.439   0.367
   62    HB2  TYR  10           2HB      TYR  10   4.522  -5.268  -2.483
   63    HB3  TYR  10           1HB      TYR  10   6.167  -5.273  -1.840
   64    HD1  TYR  10           1HD      TYR  10   2.710  -6.501  -1.150
   65    HD2  TYR  10           2HD      TYR  10   6.916  -7.047  -0.486
   66    HE1  TYR  10           1HE      TYR  10   2.250  -8.651  -0.012
   67    HE2  TYR  10           2HE      TYR  10   6.457  -9.199   0.652
   68    HH   TYR  10           HH       TYR  10   4.704 -10.366   1.740
   69    H    ARG  11           H        ARG  11   4.350  -2.623  -2.644
   70    HA   ARG  11           HA       ARG  11   6.872  -1.145  -2.464
   71    HB2  ARG  11           2HB      ARG  11   4.561  -1.483  -4.275
   72    HB3  ARG  11           1HB      ARG  11   5.324   0.107  -4.336
   73    HG2  ARG  11           2HG      ARG  11   7.274  -0.713  -5.200
   74    HG3  ARG  11           1HG      ARG  11   7.162  -2.223  -4.298
   75    HD2  ARG  11           2HD      ARG  11   5.344  -1.571  -6.638
   76    HD3  ARG  11           1HD      ARG  11   6.848  -2.498  -6.800
   77    HE   ARG  11           HE       ARG  11   5.270  -3.548  -4.636
   78   HH11  ARG  11          1HH2      ARG  11   5.491  -3.359  -8.078
   79   HH12  ARG  11          2HH2      ARG  11   4.671  -4.862  -8.340
   80   HH21  ARG  11          1HH1      ARG  11   4.202  -5.507  -4.967
   81   HH22  ARG  11          2HH1      ARG  11   3.942  -6.077  -6.581
   82    H    CYS  12           H        CYS  12   5.542  -0.670  -0.062
   83    HA   CYS  12           HA       CYS  12   3.995   1.828  -0.278
   84    HB2  CYS  12           2HB      CYS  12   5.099   0.384   2.150
   85    HB3  CYS  12           1HB      CYS  12   3.768   1.540   2.121
   86    H    ARG  13           H        ARG  13   7.272   0.998  -0.246
   87    HA   ARG  13           HA       ARG  13   8.300   3.204   1.356
   88    HB2  ARG  13           2HB      ARG  13   9.218   0.871  -0.068
   89    HB3  ARG  13           1HB      ARG  13  10.215   2.258  -0.512
   90    HG2  ARG  13           2HG      ARG  13  10.317   2.749   2.025
   91    HG3  ARG  13           1HG      ARG  13   9.733   1.097   2.231
   92    HD2  ARG  13           2HD      ARG  13  11.694   0.511   0.551
   93    HD3  ARG  13           1HD      ARG  13  12.364   2.047   1.137
   94    HE   ARG  13           HE       ARG  13  11.364   0.329   3.280
   95   HH11  ARG  13          1HH2      ARG  13  14.008   1.156   1.218
   96   HH12  ARG  13          2HH2      ARG  13  15.211   0.543   2.300
   97   HH21  ARG  13          1HH1      ARG  13  12.926  -0.472   4.700
   98   HH22  ARG  13          2HH1      ARG  13  14.600  -0.377   4.268
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -0.466   6.226  -5.731
    2    HA2  GLY   1           2HA      GLY   1   1.805   4.956  -5.257
    3    HA3  GLY   1           1HA      GLY   1   1.507   5.538  -3.619
    4    H    CYS   2           H        CYS   2   0.985   2.970  -5.700
    5    HA   CYS   2           HA       CYS   2  -1.632   2.061  -5.036
    6    HB2  CYS   2           2HB      CYS   2  -0.805  -0.048  -5.886
    7    HB3  CYS   2           1HB      CYS   2  -0.017   1.231  -6.807
    8    H    CYS   3           H        CYS   3   1.258   2.219  -3.130
    9    HA   CYS   3           HA       CYS   3   1.124   0.123  -1.324
   10    HB2  CYS   3           2HB      CYS   3   2.190   2.760  -1.484
   11    HB3  CYS   3           1HB      CYS   3   1.457   2.591   0.115
   12    H    SER   4           H        SER   4  -1.030   2.942  -1.479
   13    HA   SER   4           HA       SER   4  -2.397   2.458   1.014
   14    HB2  SER   4           2HB      SER   4  -2.319   4.579  -0.349
   15    HB3  SER   4           1HB      SER   4  -3.384   3.807  -1.520
   16    HG   SER   4           HG       SER   4  -4.871   4.602  -0.240
   17    H    GLU   5           H        GLU   5  -2.533   0.910  -2.069
   18    HA   GLU   5           HA       GLU   5  -5.277  -0.108  -1.759
   19    HB2  GLU   5           2HB      GLU   5  -2.987  -0.606  -3.682
   20    HB3  GLU   5           1HB      GLU   5  -4.568  -1.373  -3.842
   21    HG2  GLU   5           2HG      GLU   5  -5.286   1.244  -3.521
   22    HG3  GLU   5           1HG      GLU   5  -3.765   1.412  -4.398
   23    HA   PRO   6           HA       PRO   6  -4.135  -3.695   0.523
   24    HB2  PRO   6           2HB      PRO   6  -6.183  -5.360  -0.211
   25    HB3  PRO   6           1HB      PRO   6  -6.399  -4.000   0.913
   26    HG2  PRO   6           2HG      PRO   6  -7.071  -4.190  -1.979
   27    HG3  PRO   6           1HG      PRO   6  -7.951  -3.396  -0.664
   28    HD2  PRO   6           2HD      PRO   6  -6.398  -2.059  -2.470
   29    HD3  PRO   6           1HD      PRO   6  -6.715  -1.479  -0.820
   30    H    ARG   7           H        ARG   7  -4.493  -3.708  -2.933
   31    HA   ARG   7           HA       ARG   7  -3.362  -6.427  -3.251
   32    HB2  ARG   7           2HB      ARG   7  -5.169  -5.665  -4.705
   33    HB3  ARG   7           1HB      ARG   7  -4.238  -4.240  -5.165
   34    HG2  ARG   7           2HG      ARG   7  -2.799  -5.443  -6.519
   35    HG3  ARG   7           1HG      ARG   7  -3.007  -6.934  -5.592
   36    HD2  ARG   7           2HD      ARG   7  -5.478  -6.841  -6.462
   37    HD3  ARG   7           1HD      ARG   7  -4.812  -5.761  -7.702
   38    HE   ARG   7           HE       ARG   7  -3.010  -7.828  -7.703
   39   HH11  ARG   7          1HH2      ARG   7  -6.459  -7.640  -7.838
   40   HH12  ARG   7          2HH2      ARG   7  -6.628  -9.089  -8.771
   41   HH21  ARG   7          1HH1      ARG   7  -3.224  -9.716  -8.919
   42   HH22  ARG   7          2HH1      ARG   7  -4.802 -10.262  -9.380
   43    H    CYS   8           H        CYS   8  -2.199  -3.279  -2.789
   44    HA   CYS   8           HA       CYS   8   0.469  -4.060  -3.907
   45    HB2  CYS   8           2HB      CYS   8  -1.042  -2.384  -5.236
   46    HB3  CYS   8           1HB      CYS   8  -0.591  -1.239  -3.973
   47    H    ARG   9           H        ARG   9  -0.616  -4.147  -1.138
   48    HA   ARG   9           HA       ARG   9   0.235  -1.927   0.441
   49    HB2  ARG   9           2HB      ARG   9   0.048  -3.521   2.264
   50    HB3  ARG   9           1HB      ARG   9  -1.222  -3.880   1.094
   51    HG2  ARG   9           2HG      ARG   9  -0.396  -6.010   1.306
   52    HG3  ARG   9           1HG      ARG   9   0.751  -5.429   0.092
   53    HD2  ARG   9           2HD      ARG   9   1.908  -6.530   2.019
   54    HD3  ARG   9           1HD      ARG   9   2.345  -4.818   1.882
   55    HE   ARG   9           HE       ARG   9   1.079  -4.362   3.843
   56   HH11  ARG   9          1HH2      ARG   9   0.524  -7.553   2.628
   57   HH12  ARG   9          2HH2      ARG   9  -0.356  -8.067   4.026
   58   HH21  ARG   9          1HH1      ARG   9  -0.070  -5.026   5.664
   59   HH22  ARG   9          2HH1      ARG   9  -0.693  -6.640   5.741
   60    H    TYR  10           H        TYR  10   2.025  -4.545  -1.051
   61    HA   TYR  10           HA       TYR  10   4.388  -4.435   0.576
   62    HB2  TYR  10           2HB      TYR  10   3.700  -5.332  -2.222
   63    HB3  TYR  10           1HB      TYR  10   5.351  -5.457  -1.606
   64    HD1  TYR  10           2HD      TYR  10   5.846  -6.845   0.390
   65    HD2  TYR  10           1HD      TYR  10   1.954  -6.776  -1.424
   66    HE1  TYR  10           2HE      TYR  10   5.244  -8.921   1.602
   67    HE2  TYR  10           1HE      TYR  10   1.352  -8.851  -0.214
   68    HH   TYR  10           HH       TYR  10   3.655 -10.794   1.366
   69    H    ARG  11           H        ARG  11   4.504  -3.520  -2.849
   70    HA   ARG  11           HA       ARG  11   6.384  -1.348  -2.187
   71    HB2  ARG  11           2HB      ARG  11   5.377  -2.592  -4.765
   72    HB3  ARG  11           1HB      ARG  11   6.615  -1.336  -4.691
   73    HG2  ARG  11           2HG      ARG  11   8.215  -2.788  -4.005
   74    HG3  ARG  11           1HG      ARG  11   7.121  -3.602  -2.885
   75    HD2  ARG  11           2HD      ARG  11   6.419  -4.088  -5.694
   76    HD3  ARG  11           1HD      ARG  11   8.034  -4.686  -5.265
   77    HE   ARG  11           HE       ARG  11   5.505  -5.680  -4.182
   78   HH11  ARG  11          1HH2      ARG  11   8.891  -5.206  -3.683
   79   HH12  ARG  11          2HH2      ARG  11   9.036  -6.509  -2.553
   80   HH21  ARG  11          1HH1      ARG  11   5.688  -7.382  -2.712
   81   HH22  ARG  11          2HH1      ARG  11   7.227  -7.739  -2.004
   82    H    CYS  12           H        CYS  12   5.926   0.804  -2.496
   83    HA   CYS  12           HA       CYS  12   3.104   1.593  -2.749
   84    HB2  CYS  12           2HB      CYS  12   5.618   3.268  -2.479
   85    HB3  CYS  12           1HB      CYS  12   3.972   3.759  -2.082
   86    H    ARG  13           H        ARG  13   6.139   2.069  -4.575
   87    HA   ARG  13           HA       ARG  13   4.910   3.693  -6.647
   88    HB2  ARG  13           2HB      ARG  13   7.414   3.272  -5.780
   89    HB3  ARG  13           1HB      ARG  13   7.397   2.099  -7.098
   90    HG2  ARG  13           2HG      ARG  13   6.420   4.914  -7.542
   91    HG3  ARG  13           1HG      ARG  13   8.141   4.535  -7.629
   92    HD2  ARG  13           2HD      ARG  13   7.725   3.976  -9.802
   93    HD3  ARG  13           1HD      ARG  13   6.972   2.511  -9.143
   94    HE   ARG  13           HE       ARG  13   5.024   4.515  -8.925
   95   HH11  ARG  13          1HH2      ARG  13   6.912   3.029 -11.407
   96   HH12  ARG  13          2HH2      ARG  13   5.697   3.224 -12.625
   97   HH21  ARG  13          1HH1      ARG  13   3.436   4.776 -10.506
   98   HH22  ARG  13          2HH1      ARG  13   3.732   4.211 -12.117