*HEADER    SIGNALING PROTEIN INHIBITOR, TOXIN      02-SEP-07   2JUS              
*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 2JUS    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  HB1 ) 4.55 2.75 0.0
assign (resid    3 and name   HA ) (resid   12 and name  HB2 ) 4.76 2.96 0.0
assign (resid    3 and name   HA ) (resid    9 and name  HB1 ) 4.55 2.75 0.0
assign (resid    3 and name   HA ) (resid    9 and name  HB2 ) 4.55 2.75 0.0


assign (resid    2 and name   HA ) (resid    2 and name  HB1 ) 4.00 2.20 0.0
assign (resid    2 and name   HA ) (resid    2 and name  HB2 ) 3.77 1.97 0.0
assign (resid    2 and name  HB2 ) (resid    2 and name  HB1 ) 2.49 0.69 0.0
assign (resid    3 and name   HA ) (resid    3 and name  HB1 ) 3.16 1.36 0.0
assign (resid    3 and name   HA ) (resid    3 and name  HB2 ) 3.77 1.97 0.0
assign (resid    3 and name   HN ) (resid    3 and name   HA ) 3.50 1.70 0.0
assign (resid    3 and name   HN ) (resid    3 and name  HB1 ) 4.21 2.41 0.0
assign (resid    3 and name   HN ) (resid    3 and name  HB2 ) 3.16 1.36 0.0
assign (resid    4 and name   HA ) (resid    4 and name  HB1 ) 5.06 3.26 0.0
assign (resid    4 and name   HA ) (resid    4 and name  HB2 ) 4.01 2.21 0.0
assign (resid    4 and name   HN ) (resid    4 and name   HA ) 4.40 2.60 0.0
assign (resid    4 and name   HN ) (resid    4 and name  HB1 ) 3.98 2.18 0.0
assign (resid    4 and name   HN ) (resid    4 and name  HB2 ) 4.18 2.38 0.0
assign (resid    5 and name   HA ) (resid    5 and name  HB1 ) 4.61 2.81 0.0
assign (resid    5 and name   HA ) (resid    5 and name  HB2 ) 4.91 3.11 0.0
assign (resid    5 and name   HN ) (resid    5 and name   HA ) 4.02 2.22 0.0
assign (resid    5 and name   HN ) (resid    5 and name  HB1 ) 3.59 1.79 0.0
assign (resid    5 and name   HN ) (resid    5 and name  HB2 ) 3.73 1.93 0.0
assign (resid    6 and name   HA ) (resid    6 and name  HB1 ) 3.44 1.64 0.0
assign (resid    6 and name   HA ) (resid    6 and name  HB2 ) 4.09 2.29 0.0
assign (resid    6 and name  HB1 ) (resid    6 and name  HB2 ) 3.31 1.51 0.0
assign (resid    6 and name  HD1 ) (resid    6 and name  HB1 ) 4.48 2.68 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HB# ) 3.80 2.00 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HG1 ) 4.17 2.37 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HG2 ) 3.59 1.79 0.0
assign (resid    7 and name  HB# ) (resid    7 and name  HD# ) 4.42 2.62 0.0
assign (resid    7 and name  HB# ) (resid    7 and name  HG1 ) 2.66 0.86 0.0
assign (resid    7 and name  HB# ) (resid    7 and name  HG2 ) 3.19 1.39 0.0
assign (resid    7 and name  HD# ) (resid    7 and name   HE ) 3.00 1.20 0.0 
assign (resid    7 and name  HG1 ) (resid    7 and name  HD# ) 4.46 2.66 0.0
assign (resid    7 and name  HG1 ) (resid    7 and name   HE ) 4.23 2.43 0.0
assign (resid    7 and name   HN ) (resid    7 and name   HA ) 3.00 1.20 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HB# ) 4.36 2.56 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HG1 ) 3.67 1.87 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HG2 ) 3.64 1.84 0.0
assign (resid    8 and name   HA ) (resid    8 and name  HB1 ) 4.31 2.51 0.0
assign (resid    8 and name   HA ) (resid    8 and name  HB2 ) 3.75 1.95 0.0
assign (resid    8 and name  HB1 ) (resid    8 and name  HB2 ) 3.47 1.67 0.0
assign (resid    8 and name   HN ) (resid    8 and name   HA ) 3.16 1.36 0.0
assign (resid    8 and name   HN ) (resid    8 and name  HB1 ) 3.75 1.95 0.0
assign (resid    8 and name   HN ) (resid    8 and name  HB2 ) 3.03 1.23 0.0
assign (resid    9 and name   HN ) (resid    9 and name   HA ) 3.27 1.47 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HB1 ) 3.90 2.10 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HB2 ) 3.85 2.05 0.0 
assign (resid    9 and name   HN ) (resid    9 and name  HG1 ) 3.60 1.80 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HG2 ) 4.55 2.75 0.0
assign (resid    9 and name  HG1 ) (resid    9 and name  HG2 ) 2.67 0.87 0.0
assign (resid    9 and name  HB2 ) (resid    9 and name  HG2 ) 3.45 1.65 0.0
assign (resid    9 and name  HD2 ) (resid    9 and name   HE ) 2.90 1.10 0.0 
assign (resid    9 and name  HB2 ) (resid    9 and name  HD2 ) 4.55 2.75 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HB1 ) 3.61 1.81 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HB2 ) 3.65 1.85 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HG1 ) 3.99 2.19 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HG2 ) 5.06 3.26 0.0
assign (resid    9 and name  HB1 ) (resid    9 and name  HD2 ) 4.58 2.78 0.0
assign (resid    9 and name  HB1 ) (resid    9 and name  HG1 ) 3.33 1.53 0.0
assign (resid   10 and name   HA ) (resid   10 and name  HB1 ) 3.67 1.87 0.0
assign (resid   10 and name   HA ) (resid   10 and name  HB2 ) 3.56 1.76 0.0
assign (resid   10 and name   HA ) (resid   10 and name  HD1 ) 4.10 2.30 0.0
assign (resid   10 and name  HB1 ) (resid   10 and name  HB2 ) 2.42 0.62 0.0
assign (resid   10 and name  HB1 ) (resid   10 and name  HD1 ) 4.00 2.20 0.0
assign (resid   10 and name  HB2 ) (resid   10 and name  HD1 ) 3.09 1.29 0.0
assign (resid   10 and name  HB2 ) (resid   10 and name  HD1 ) 3.09 1.29 0.0
assign (resid   10 and name  HD1 ) (resid   10 and name  HE1 ) 3.53 1.73 0.0
assign (resid   10 and name   HN ) (resid   10 and name   HA ) 3.49 1.69 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HB1 ) 3.68 1.88 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HB2 ) 3.31 1.51 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HD1 ) 3.41 1.61 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HB# ) 4.13 2.33 0.0
assign (resid   11 and name   HA ) (resid   11 and name   HE ) 5.00 3.20 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HG# ) 4.66 2.86 0.0
assign (resid   11 and name  HB# ) (resid   11 and name  HD# ) 4.46 2.66 0.0
assign (resid   11 and name  HB# ) (resid   11 and name  HG# ) 4.66 2.86 0.0
assign (resid   11 and name  HD# ) (resid   11 and name   HE ) 2.50 0.70 0.0
assign (resid   11 and name  HG# ) (resid   11 and name  HD# ) 5.01 3.21 0.0
assign (resid   11 and name  HG# ) (resid   11 and name   HE ) 2.52 0.72 0.0
assign (resid   11 and name   HN ) (resid   11 and name   HA ) 3.81 2.01 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HB# ) 3.67 1.87 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HG# ) 4.10 2.30 0.0
assign (resid   12 and name   HA ) (resid   12 and name  HB1 ) 4.09 2.29 0.0
assign (resid   12 and name   HA ) (resid   12 and name  HB2 ) 4.10 2.30 0.0
assign (resid   12 and name   HN ) (resid   12 and name   HA ) 3.95 2.15 0.0
assign (resid   12 and name  HB1 ) (resid   12 and name  HB2 ) 2.79 0.99 0.0
assign (resid   12 and name   HN ) (resid   12 and name  HB1 ) 3.75 1.95 0.0
assign (resid   12 and name   HN ) (resid   12 and name  HB2 ) 4.36 2.56 0.0
assign (resid   13 and name  HB1 ) (resid   13 and name  HB2 ) 2.40 0.60 0.0
assign (resid   13 and name  HB2 ) (resid   13 and name  HG# ) 2.76 0.96 0.0
assign (resid   13 and name   HN ) (resid   13 and name   HA ) 3.94 2.14 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HB1 ) 5.24 3.44 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HB2 ) 4.48 2.68 0.0

assign (resid    1 and name  HA# ) (resid    2 and name  HB2 ) 4.00 2.20 0.0
assign (resid    2 and name  HB1 ) (resid    3 and name   HN ) 4.66 2.86 0.0
assign (resid    2 and name  HB1 ) (resid    3 and name   HN ) 4.66 2.86 0.0
assign (resid    2 and name   HA ) (resid    3 and name   HN ) 3.88 2.08 0.0
assign (resid    2 and name  HB2 ) (resid    3 and name   HN ) 4.40 2.60 0.0 
assign (resid    3 and name   HA ) (resid    4 and name   HN ) 3.95 2.15 0.0
assign (resid    3 and name  HB1 ) (resid    4 and name   HN ) 5.24 3.44 0.0
assign (resid    3 and name  HB2 ) (resid    4 and name   HN ) 4.58 2.78 0.0
assign (resid    3 and name   HN ) (resid    4 and name   HN ) 3.61 1.81 0.0
assign (resid    4 and name   HA ) (resid    5 and name   HN ) 4.08 2.28 0.0
assign (resid    5 and name   HA ) (resid    6 and name  HD1 ) 4.04 2.24 0.0
assign (resid    5 and name  HB1 ) (resid    6 and name  HG1 ) 5.11 3.31 0.0
assign (resid    5 and name  HB2 ) (resid    6 and name  HG1 ) 5.00 3.20 0.0 
assign (resid    6 and name   HA ) (resid    7 and name   HN ) 4.12 2.32 0.0
assign (resid    6 and name  HB1 ) (resid    7 and name   HN ) 5.01 3.21 0.0
assign (resid    6 and name  HB2 ) (resid    7 and name   HN ) 4.87 3.07 0.0
assign (resid    6 and name  HD1 ) (resid    7 and name   HN ) 4.10 2.30 0.0 
assign (resid    7 and name   HA ) (resid    8 and name   HN ) 3.90 2.10 0.0 
assign (resid    7 and name  HG1 ) (resid    8 and name   HN ) 4.40 2.60 0.0 
assign (resid    8 and name   HA ) (resid    9 and name   HN ) 3.50 1.70 0.0
assign (resid    8 and name  HB1 ) (resid    9 and name   HN ) 4.13 2.33 0.0
assign (resid    8 and name  HB2 ) (resid    9 and name   HN ) 4.27 2.47 0.0
assign (resid    9 and name   HA ) (resid   10 and name   HN ) 3.90 2.10 0.0
assign (resid    9 and name  HB2 ) (resid   10 and name   HN ) 5.00 3.20 0.0
assign (resid    9 and name  HG1 ) (resid   10 and name   HN ) 4.90 3.10 0.0 
assign (resid    9 and name  HG2 ) (resid   10 and name   HN ) 4.85 3.05 0.0 
assign (resid    9 and name   HN ) (resid   10 and name   HN ) 3.76 1.96 0.0
assign (resid   10 and name   HA ) (resid   11 and name   HE ) 4.64 2.84 0.0
assign (resid   10 and name   HA ) (resid   11 and name   HN ) 3.64 1.84 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 ) 4.96 3.16 0.0
assign (resid   10 and name  HB2 ) (resid   11 and name   HE ) 2.70 0.90 0.0
assign (resid   10 and name  HB2 ) (resid   11 and name   HN ) 4.64 2.84 0.0
assign (resid   11 and name   HA ) (resid   12 and name   HN ) 3.77 1.97 0.0
assign (resid   11 and name  HB# ) (resid   12 and name   HN ) 5.17 3.37 0.0
assign (resid   12 and name   HA ) (resid   13 and name   HN ) 3.70 1.90 0.0
assign (resid   12 and name  HB1 ) (resid   13 and name   HN ) 4.87 3.07 0.0
assign (resid   12 and name  HB2 ) (resid   13 and name   HN ) 4.64 2.84 0.0
assign (resid   12 and name   HN ) (resid   13 and name   HN ) 3.87 2.07 0.0



assign (resid    1 and name  HA# ) (resid    3 and name   HN ) 4.70 2.90 0.0
assign (resid    2 and name   HA ) (resid    4 and name   HN ) 4.66 2.86 0.0
assign (resid    5 and name   HA ) (resid    7 and name   HN ) 4.87 3.07 0.0
assign (resid    5 and name   HA ) (resid    8 and name   HN ) 5.90 4.10 0.0 
assign (resid    5 and name   HN ) (resid    7 and name   HN ) 4.50 2.70 0.0
assign (resid    6 and name   HA ) (resid    8 and name   HN ) 4.90 3.10 0.0 
assign (resid    6 and name  HD2 ) (resid    8 and name   HN ) 5.00 3.20 0.0
assign (resid    7 and name   HA ) (resid   10 and name  HD1 ) 6.00 4.20 0.0 
assign (resid    8 and name   HA ) (resid   10 and name  HD1 ) 3.66 1.86 0.0
assign (resid    8 and name   HA ) (resid   10 and name  HE1 ) 4.30 2.50 0.0 
assign (resid    8 and name   HA ) (resid   10 and name   HN ) 4.42 2.62 0.0
assign (resid    9 and name   HA ) (resid   11 and name   HN ) 5.01 3.21 0.0
assign (resid    9 and name   HA ) (resid   12 and name   HN ) 4.36 2.56 0.0


!Phi angle restraints                                                                                                       
                                                                                                                            
assign (resid  1 and name C  ) (resid  2 and name N )                                                                       
       (resid  2 and name CA ) (resid  2 and name C ) 1.0  -118.0  50.0 2                                                   
                                                                                                                            
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  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                                                   
                                                                                                                            
                                                                                                                            
                                                                                                                            
                                                                                                                            
                                                                                                                            
!Chi1 Angles
                                                                                                                
assign (resid  2 and name N  ) (resid  2 and name CA )                                                                     
      (resid  2 and name CB ) (resid  2 and name CG ) 1.0 -60.0  30.0 2
                                                     
                                                                                                                           
                                                                                                                           
assign (resid  5 and name N  ) (resid  5 and name CA )                                                                      
      (resid  5 and name CB ) (resid  5 and name CG ) 1.0 60.0  30.0 2
                                                      
                                                                                                                            
assign (resid  10 and name N  ) (resid  10 and name CA )                                                                    
      (resid  10 and name CB ) (resid  10 and name CG ) 1.0 -60.0  30.0 2
                                                   
                                                                                                                           
assign (resid  8 and name N  ) (resid  8 and name CA )                                                                     
       (resid  8 and name CB ) (resid  8 and name CG ) 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  -0.722   9.645  -3.264
    2    HA2  GLY   1           2HA      GLY   1   1.300   8.025  -2.356
    3    HA3  GLY   1           1HA      GLY   1   0.498   8.508  -0.860
    4    H    CYS   2           H        CYS   2   0.598   5.819  -2.007
    5    HA   CYS   2           HA       CYS   2  -2.314   5.401  -2.609
    6    HB2  CYS   2           2HB      CYS   2  -0.256   4.837  -4.217
    7    HB3  CYS   2           1HB      CYS   2  -0.196   3.377  -3.224
    8    H    CYS   3           H        CYS   3  -0.637   5.465   0.025
    9    HA   CYS   3           HA       CYS   3  -0.775   2.718   1.028
   10    HB2  CYS   3           2HB      CYS   3  -0.524   5.294   2.600
   11    HB3  CYS   3           1HB      CYS   3   0.115   3.705   3.018
   12    H    SER   4           H        SER   4  -3.303   3.274   0.064
   13    HA   SER   4           HA       SER   4  -4.921   3.947   2.496
   14    HB2  SER   4           2HB      SER   4  -5.447   5.438   0.747
   15    HB3  SER   4           1HB      SER   4  -5.313   4.185  -0.482
   16    HG   SER   4           HG       SER   4  -7.492   4.997   0.618
   17    H    ASP   5           H        ASP   5  -4.318   1.509   0.022
   18    HA   ASP   5           HA       ASP   5  -6.285  -0.280   1.414
   19    HB2  ASP   5           2HB      ASP   5  -6.177  -1.335  -1.055
   20    HB3  ASP   5           1HB      ASP   5  -7.296  -0.047  -0.637
   21    HA   PRO   6           HA       PRO   6  -3.087  -3.263   1.665
   22    HB2  PRO   6           2HB      PRO   6  -4.454  -5.597   1.275
   23    HB3  PRO   6           1HB      PRO   6  -4.641  -4.600   2.731
   24    HG2  PRO   6           2HG      PRO   6  -6.472  -4.964   0.461
   25    HG3  PRO   6           1HG      PRO   6  -6.816  -4.472   2.120
   26    HD2  PRO   6           2HD      PRO   6  -6.652  -2.812  -0.153
   27    HD3  PRO   6           1HD      PRO   6  -6.834  -2.307   1.538
   28    H    ARG   7           H        ARG   7  -4.441  -2.607  -1.311
   29    HA   ARG   7           HA       ARG   7  -2.813  -4.689  -2.718
   30    HB2  ARG   7           2HB      ARG   7  -4.364  -4.375  -4.539
   31    HB3  ARG   7           1HB      ARG   7  -5.318  -4.503  -3.059
   32    HG2  ARG   7           2HG      ARG   7  -5.224  -1.962  -2.932
   33    HG3  ARG   7           1HG      ARG   7  -4.589  -1.992  -4.577
   34    HD2  ARG   7           2HD      ARG   7  -7.227  -3.241  -3.723
   35    HD3  ARG   7           1HD      ARG   7  -7.057  -1.699  -4.588
   36    HE   ARG   7           HE       ARG   7  -6.717  -4.338  -5.761
   37   HH11  ARG   7          1HH2      ARG   7  -5.705  -1.036  -5.793
   38   HH12  ARG   7          2HH2      ARG   7  -5.200  -1.072  -7.449
   39   HH21  ARG   7          1HH1      ARG   7  -6.062  -4.397  -7.921
   40   HH22  ARG   7          2HH1      ARG   7  -5.406  -2.971  -8.654
   41    H    CYS   8           H        CYS   8  -2.631  -1.505  -1.767
   42    HA   CYS   8           HA       CYS   8  -0.848  -0.833  -4.083
   43    HB2  CYS   8           2HB      CYS   8  -3.276   0.245  -3.750
   44    HB3  CYS   8           1HB      CYS   8  -2.385   1.286  -2.635
   45    H    ARG   9           H        ARG   9  -0.891  -1.531  -0.886
   46    HA   ARG   9           HA       ARG   9   0.811   0.669   0.085
   47    HB2  ARG   9           2HB      ARG   9  -0.770  -1.537   1.130
   48    HB3  ARG   9           1HB      ARG   9   0.815  -1.461   1.906
   49    HG2  ARG   9           2HG      ARG   9   0.477   0.920   2.404
   50    HG3  ARG   9           1HG      ARG   9  -1.095   0.869   1.601
   51    HD2  ARG   9           2HD      ARG   9  -0.830  -1.239   3.618
   52    HD3  ARG   9           1HD      ARG   9  -0.656   0.385   4.312
   53    HE   ARG   9           HE       ARG   9  -2.827   0.358   2.427
   54   HH11  ARG   9          1HH2      ARG   9  -1.875  -0.688   5.579
   55   HH12  ARG   9          2HH2      ARG   9  -3.486  -0.672   6.213
   56   HH21  ARG   9          1HH1      ARG   9  -4.933   0.380   3.244
   57   HH22  ARG   9          2HH1      ARG   9  -5.215  -0.071   4.892
   58    H    TRP  10           H        TRP  10   2.175  -0.239  -1.999
   59    HA   TRP  10           HA       TRP  10   3.910  -2.507  -1.473
   60    HB2  TRP  10           2HB      TRP  10   3.807  -0.199  -3.411
   61    HB3  TRP  10           1HB      TRP  10   5.192  -1.296  -3.402
   62    HD1  TRP  10           HD       TRP  10   1.439  -1.196  -4.102
   63    HE1  TRP  10           1HE      TRP  10   0.779  -3.313  -5.416
   64    HE3  TRP  10           3HE      TRP  10   5.848  -3.772  -3.902
   65    HZ2  TRP  10           2HZ      TRP  10   1.963  -5.772  -6.272
   66    HZ3  TRP  10           3HZ      TRP  10   6.052  -5.995  -4.977
   67    HH2  TRP  10           HH       TRP  10   4.117  -6.997  -6.161
   68    H    ARG  11           H        ARG  11   5.221   0.689  -2.164
   69    HA   ARG  11           HA       ARG  11   7.405   0.365  -0.295
   70    HB2  ARG  11           2HB      ARG  11   7.876   2.705  -1.029
   71    HB3  ARG  11           1HB      ARG  11   7.535   1.640  -2.394
   72    HG2  ARG  11           2HG      ARG  11   5.020   2.569  -1.612
   73    HG3  ARG  11           1HG      ARG  11   6.066   3.984  -1.477
   74    HD2  ARG  11           2HD      ARG  11   5.822   4.207  -3.727
   75    HD3  ARG  11           1HD      ARG  11   6.852   2.772  -3.880
   76    HE   ARG  11           HE       ARG  11   4.289   1.800  -3.286
   77   HH11  ARG  11          1HH2      ARG  11   5.824   3.718  -5.713
   78   HH12  ARG  11          2HH2      ARG  11   4.746   3.216  -6.971
   79   HH21  ARG  11          1HH1      ARG  11   2.882   1.139  -4.918
   80   HH22  ARG  11          2HH1      ARG  11   3.084   1.758  -6.524
   81    H    CYS  12           H        CYS  12   4.171   1.149   0.212
   82    HA   CYS  12           HA       CYS  12   4.322   3.284   2.119
   83    HB2  CYS  12           2HB      CYS  12   2.388   0.990   1.680
   84    HB3  CYS  12           1HB      CYS  12   2.072   2.332   2.785
   85    H    ARG  13           H        ARG  13   3.261   0.053   3.114
   86    HA   ARG  13           HA       ARG  13   3.663  -1.082   5.155
   87    HB2  ARG  13           2HB      ARG  13   5.783  -1.159   3.521
   88    HB3  ARG  13           1HB      ARG  13   6.530  -0.283   4.863
   89    HG2  ARG  13           2HG      ARG  13   6.194  -2.049   6.373
   90    HG3  ARG  13           1HG      ARG  13   4.924  -2.775   5.387
   91    HD2  ARG  13           2HD      ARG  13   6.676  -3.275   3.631
   92    HD3  ARG  13           1HD      ARG  13   7.903  -2.751   4.803
   93    HE   ARG  13           HE       ARG  13   6.210  -4.565   6.154
   94   HH11  ARG  13          1HH2      ARG  13   8.399  -4.493   3.481
   95   HH12  ARG  13          2HH2      ARG  13   8.868  -6.150   3.656
   96   HH21  ARG  13          1HH1      ARG  13   6.815  -6.729   6.388
   97   HH22  ARG  13          2HH1      ARG  13   7.970  -7.414   5.295
  Start of MODEL    2
    1    H1   GLY   1           H1       GLY   1   1.649   9.508   0.052
    2    HA2  GLY   1           2HA      GLY   1   2.290   7.588  -1.290
    3    HA3  GLY   1           1HA      GLY   1   1.990   6.908   0.310
    4    H    CYS   2           H        CYS   2   1.323   4.900  -0.684
    5    HA   CYS   2           HA       CYS   2  -1.362   5.047  -2.018
    6    HB2  CYS   2           2HB      CYS   2   0.925   4.125  -3.086
    7    HB3  CYS   2           1HB      CYS   2   0.418   2.661  -2.243
    8    H    CYS   3           H        CYS   3  -0.594   4.860   0.928
    9    HA   CYS   3           HA       CYS   3  -1.135   2.185   1.858
   10    HB2  CYS   3           2HB      CYS   3  -0.976   4.962   2.940
   11    HB3  CYS   3           1HB      CYS   3  -1.751   3.740   3.949
   12    H    SER   4           H        SER   4  -3.143   4.451   0.356
   13    HA   SER   4           HA       SER   4  -5.579   4.537   1.648
   14    HB2  SER   4           2HB      SER   4  -6.540   4.511  -0.653
   15    HB3  SER   4           1HB      SER   4  -5.088   5.502  -0.556
   16    HG   SER   4           HG       SER   4  -4.036   4.087  -1.745
   17    H    ASP   5           H        ASP   5  -4.575   1.835  -0.502
   18    HA   ASP   5           HA       ASP   5  -6.526   0.107   0.982
   19    HB2  ASP   5           2HB      ASP   5  -6.206  -1.209  -1.331
   20    HB3  ASP   5           1HB      ASP   5  -7.370   0.100  -1.163
   21    HA   PRO   6           HA       PRO   6  -3.218  -2.682   1.732
   22    HB2  PRO   6           2HB      PRO   6  -4.568  -5.061   1.733
   23    HB3  PRO   6           1HB      PRO   6  -4.790  -3.821   2.984
   24    HG2  PRO   6           2HG      PRO   6  -6.607  -4.647   0.854
   25    HG3  PRO   6           1HG      PRO   6  -6.941  -3.725   2.323
   26    HD2  PRO   6           2HD      PRO   6  -6.587  -2.750  -0.361
   27    HD3  PRO   6           1HD      PRO   6  -7.036  -1.844   1.100
   28    H    ARG   7           H        ARG   7  -4.248  -2.375  -1.334
   29    HA   ARG   7           HA       ARG   7  -2.796  -4.800  -2.338
   30    HB2  ARG   7           2HB      ARG   7  -4.675  -2.993  -3.873
   31    HB3  ARG   7           1HB      ARG   7  -4.214  -4.653  -4.252
   32    HG2  ARG   7           2HG      ARG   7  -5.438  -5.498  -2.343
   33    HG3  ARG   7           1HG      ARG   7  -5.761  -3.861  -1.769
   34    HD2  ARG   7           2HD      ARG   7  -7.759  -4.260  -2.883
   35    HD3  ARG   7           1HD      ARG   7  -6.806  -3.641  -4.246
   36    HE   ARG   7           HE       ARG   7  -6.192  -6.356  -4.140
   37   HH11  ARG   7          1HH2      ARG   7  -9.044  -4.422  -4.386
   38   HH12  ARG   7          2HH2      ARG   7  -9.909  -5.589  -5.328
   39   HH21  ARG   7          1HH1      ARG   7  -7.313  -7.884  -5.370
   40   HH22  ARG   7          2HH1      ARG   7  -8.933  -7.546  -5.883
   41    H    CYS   8           H        CYS   8  -2.380  -1.526  -1.808
   42    HA   CYS   8           HA       CYS   8  -0.319  -1.353  -3.982
   43    HB2  CYS   8           2HB      CYS   8  -2.425  -0.120  -4.495
   44    HB3  CYS   8           1HB      CYS   8  -2.212   0.815  -3.014
   45    H    ARG   9           H        ARG   9  -0.611  -1.691  -0.838
   46    HA   ARG   9           HA       ARG   9   0.742   0.590   0.306
   47    HB2  ARG   9           2HB      ARG   9   0.863  -0.858   2.269
   48    HB3  ARG   9           1HB      ARG   9  -0.711  -1.046   1.498
   49    HG2  ARG   9           2HG      ARG   9   0.547  -2.985   0.182
   50    HG3  ARG   9           1HG      ARG   9   1.586  -2.960   1.611
   51    HD2  ARG   9           2HD      ARG   9  -1.441  -3.256   1.651
   52    HD3  ARG   9           1HD      ARG   9  -0.270  -4.559   1.943
   53    HE   ARG   9           HE       ARG   9  -0.911  -2.386   3.799
   54   HH11  ARG   9          1HH2      ARG   9   1.415  -4.707   2.725
   55   HH12  ARG   9          2HH2      ARG   9   2.246  -4.763   4.242
   56   HH21  ARG   9          1HH1      ARG   9   0.173  -2.448   5.774
   57   HH22  ARG   9          2HH1      ARG   9   1.547  -3.485   5.964
   58    H    TRP  10           H        TRP  10   1.971  -1.575  -1.887
   59    HA   TRP  10           HA       TRP  10   4.369  -2.621  -1.020
   60    HB2  TRP  10           2HB      TRP  10   3.637  -1.059  -3.508
   61    HB3  TRP  10           1HB      TRP  10   5.193  -1.879  -3.344
   62    HD1  TRP  10           HD       TRP  10   1.507  -2.519  -3.885
   63    HE1  TRP  10           1HE      TRP  10   1.140  -5.023  -4.375
   64    HE3  TRP  10           3HE      TRP  10   6.166  -4.319  -2.824
   65    HZ2  TRP  10           2HZ      TRP  10   2.626  -7.466  -4.326
   66    HZ3  TRP  10           3HZ      TRP  10   6.663  -6.736  -3.054
   67    HH2  TRP  10           HH       TRP  10   4.900  -8.311  -3.802
   68    H    ARG  11           H        ARG  11   4.682   0.469  -2.729
   69    HA   ARG  11           HA       ARG  11   6.835   1.274  -0.867
   70    HB2  ARG  11           2HB      ARG  11   7.196   3.023  -2.563
   71    HB3  ARG  11           1HB      ARG  11   7.036   1.450  -3.344
   72    HG2  ARG  11           2HG      ARG  11   4.421   2.291  -3.231
   73    HG3  ARG  11           1HG      ARG  11   5.279   3.809  -3.499
   74    HD2  ARG  11           2HD      ARG  11   4.631   2.592  -5.631
   75    HD3  ARG  11           1HD      ARG  11   6.372   2.898  -5.483
   76    HE   ARG  11           HE       ARG  11   5.775   0.405  -4.231
   77   HH11  ARG  11          1HH2      ARG  11   5.897   1.926  -7.327
   78   HH12  ARG  11          2HH2      ARG  11   6.269   0.462  -8.173
   79   HH21  ARG  11          1HH1      ARG  11   6.256  -1.508  -5.323
   80   HH22  ARG  11          2HH1      ARG  11   6.472  -1.480  -7.041
   81    H    CYS  12           H        CYS  12   4.954   1.417   0.845
   82    HA   CYS  12           HA       CYS  12   3.257   3.809   0.639
   83    HB2  CYS  12           2HB      CYS  12   3.385   1.333   2.089
   84    HB3  CYS  12           1HB      CYS  12   3.290   2.660   3.250
   85    H    ARG  13           H        ARG  13   5.158   5.307   0.463
   86    HA   ARG  13           HA       ARG  13   7.246   5.777   2.183
   87    HB2  ARG  13           2HB      ARG  13   5.486   7.299   0.456
   88    HB3  ARG  13           1HB      ARG  13   5.987   8.281   1.836
   89    HG2  ARG  13           2HG      ARG  13   8.373   7.394   1.326
   90    HG3  ARG  13           1HG      ARG  13   7.710   6.948  -0.248
   91    HD2  ARG  13           2HD      ARG  13   7.919   9.092  -0.942
   92    HD3  ARG  13           1HD      ARG  13   6.866   9.628   0.383
   93    HE   ARG  13           HE       ARG  13   8.802  10.207   1.611
   94   HH11  ARG  13          1HH2      ARG  13   9.521   8.058  -0.994
   95   HH12  ARG  13          2HH2      ARG  13  11.235   8.149  -0.767
   96   HH21  ARG  13          1HH1      ARG  13  11.035  10.333   1.917
   97   HH22  ARG  13          2HH1      ARG  13  12.092   9.433   0.881
  Start of MODEL    3
    1    H1   GLY   1           H1       GLY   1   3.390   7.224  -1.360
    2    HA2  GLY   1           2HA      GLY   1   0.956   8.388  -0.619
    3    HA3  GLY   1           1HA      GLY   1   1.597   8.452  -2.262
    4    H    CYS   2           H        CYS   2   0.821   5.404  -0.716
    5    HA   CYS   2           HA       CYS   2  -1.757   5.227  -2.190
    6    HB2  CYS   2           2HB      CYS   2   0.613   4.414  -3.317
    7    HB3  CYS   2           1HB      CYS   2   0.048   2.921  -2.559
    8    H    CYS   3           H        CYS   3  -1.148   5.285   0.650
    9    HA   CYS   3           HA       CYS   3  -1.334   2.496   1.604
   10    HB2  CYS   3           2HB      CYS   3  -1.613   5.076   3.165
   11    HB3  CYS   3           1HB      CYS   3  -1.070   3.507   3.761
   12    H    SER   4           H        SER   4  -3.517   4.014  -0.015
   13    HA   SER   4           HA       SER   4  -5.770   4.378   1.759
   14    HB2  SER   4           2HB      SER   4  -5.760   5.493  -0.340
   15    HB3  SER   4           1HB      SER   4  -5.355   4.017  -1.211
   16    HG   SER   4           HG       SER   4  -7.780   4.604   0.150
   17    H    ASP   5           H        ASP   5  -4.596   1.650  -0.206
   18    HA   ASP   5           HA       ASP   5  -6.650  -0.064   1.150
   19    HB2  ASP   5           2HB      ASP   5  -6.226  -1.398  -1.141
   20    HB3  ASP   5           1HB      ASP   5  -7.426  -0.118  -1.016
   21    HA   PRO   6           HA       PRO   6  -3.338  -2.796   2.059
   22    HB2  PRO   6           2HB      PRO   6  -4.620  -5.211   1.981
   23    HB3  PRO   6           1HB      PRO   6  -4.938  -3.986   3.227
   24    HG2  PRO   6           2HG      PRO   6  -6.615  -4.840   0.990
   25    HG3  PRO   6           1HG      PRO   6  -7.059  -3.969   2.459
   26    HD2  PRO   6           2HD      PRO   6  -6.634  -2.911  -0.171
   27    HD3  PRO   6           1HD      PRO   6  -7.135  -2.048   1.299
   28    H    ARG   7           H        ARG   7  -3.683  -2.202  -0.909
   29    HA   ARG   7           HA       ARG   7  -2.306  -4.664  -1.933
   30    HB2  ARG   7           2HB      ARG   7  -4.459  -2.954  -3.217
   31    HB3  ARG   7           1HB      ARG   7  -3.566  -4.213  -4.067
   32    HG2  ARG   7           2HG      ARG   7  -4.566  -5.239  -1.563
   33    HG3  ARG   7           1HG      ARG   7  -5.885  -4.536  -2.498
   34    HD2  ARG   7           2HD      ARG   7  -3.886  -6.479  -3.697
   35    HD3  ARG   7           1HD      ARG   7  -5.432  -6.984  -3.002
   36    HE   ARG   7           HE       ARG   7  -6.595  -5.680  -4.692
   37   HH11  ARG   7          1HH2      ARG   7  -3.131  -5.740  -5.054
   38   HH12  ARG   7          2HH2      ARG   7  -3.190  -5.237  -6.705
   39   HH21  ARG   7          1HH1      ARG   7  -6.635  -5.021  -6.830
   40   HH22  ARG   7          2HH1      ARG   7  -5.152  -4.826  -7.704
   41    H    CYS   8           H        CYS   8  -2.967  -1.202  -2.528
   42    HA   CYS   8           HA       CYS   8  -0.697  -0.879  -4.325
   43    HB2  CYS   8           2HB      CYS   8  -2.935   0.420  -4.136
   44    HB3  CYS   8           1HB      CYS   8  -2.151   1.294  -2.815
   45    H    ARG   9           H        ARG   9  -0.695  -1.487  -1.095
   46    HA   ARG   9           HA       ARG   9   1.133   0.574  -0.141
   47    HB2  ARG   9           2HB      ARG   9   1.213  -0.930   1.835
   48    HB3  ARG   9           1HB      ARG   9  -0.444  -0.651   1.303
   49    HG2  ARG   9           2HG      ARG   9  -0.695  -2.801   0.485
   50    HG3  ARG   9           1HG      ARG   9   1.030  -2.987   0.154
   51    HD2  ARG   9           2HD      ARG   9   1.277  -4.055   2.136
   52    HD3  ARG   9           1HD      ARG   9   0.704  -2.602   2.981
   53    HE   ARG   9           HE       ARG   9  -1.445  -4.146   1.735
   54   HH11  ARG   9          1HH2      ARG   9   0.571  -3.688   4.503
   55   HH12  ARG   9          2HH2      ARG   9  -0.558  -4.404   5.602
   56   HH21  ARG   9          1HH1      ARG   9  -2.924  -5.080   3.163
   57   HH22  ARG   9          2HH1      ARG   9  -2.533  -5.190   4.847
   58    H    TRP  10           H        TRP  10   2.274  -0.383  -2.492
   59    HA   TRP  10           HA       TRP  10   4.078  -2.590  -2.187
   60    HB2  TRP  10           2HB      TRP  10   4.000  -0.094  -3.899
   61    HB3  TRP  10           1HB      TRP  10   5.260  -1.318  -4.086
   62    HD1  TRP  10           HD       TRP  10   1.392  -1.143  -4.021
   63    HE1  TRP  10           1HE      TRP  10   0.485  -2.907  -5.669
   64    HE3  TRP  10           3HE      TRP  10   5.779  -3.280  -5.536
   65    HZ2  TRP  10           2HZ      TRP  10   1.487  -4.952  -7.399
   66    HZ3  TRP  10           3HZ      TRP  10   5.772  -5.131  -7.183
   67    HH2  TRP  10           HH       TRP  10   3.633  -5.969  -8.117
   68    H    ARG  11           H        ARG  11   4.835   0.916  -2.131
   69    HA   ARG  11           HA       ARG  11   7.334   0.356  -0.646
   70    HB2  ARG  11           2HB      ARG  11   6.219   3.057  -1.411
   71    HB3  ARG  11           1HB      ARG  11   7.907   2.567  -1.276
   72    HG2  ARG  11           2HG      ARG  11   5.942   1.676  -3.407
   73    HG3  ARG  11           1HG      ARG  11   7.318   2.755  -3.634
   74    HD2  ARG  11           2HD      ARG  11   8.870   1.030  -3.482
   75    HD3  ARG  11           1HD      ARG  11   7.807   0.024  -2.477
   76    HE   ARG  11           HE       ARG  11   6.368   0.184  -4.782
   77   HH11  ARG  11          1HH2      ARG  11   9.696  -0.487  -4.130
   78   HH12  ARG  11          2HH2      ARG  11   9.898  -1.490  -5.527
   79   HH21  ARG  11          1HH1      ARG  11   6.623  -1.125  -6.600
   80   HH22  ARG  11          2HH1      ARG  11   8.162  -1.852  -6.923
   81    H    CYS  12           H        CYS  12   4.096   1.532  -0.119
   82    HA   CYS  12           HA       CYS  12   4.592   2.879   2.412
   83    HB2  CYS  12           2HB      CYS  12   2.706   3.390   0.928
   84    HB3  CYS  12           1HB      CYS  12   2.108   1.737   1.090
   85    H    ARG  13           H        ARG  13   5.942   0.757   3.034
   86    HA   ARG  13           HA       ARG  13   4.601  -1.639   3.818
   87    HB2  ARG  13           2HB      ARG  13   7.169  -0.609   3.754
   88    HB3  ARG  13           1HB      ARG  13   6.862  -0.776   5.487
   89    HG2  ARG  13           2HG      ARG  13   5.925  -3.082   3.939
   90    HG3  ARG  13           1HG      ARG  13   7.663  -2.820   3.793
   91    HD2  ARG  13           2HD      ARG  13   7.450  -2.470   6.445
   92    HD3  ARG  13           1HD      ARG  13   6.059  -3.546   6.206
   93    HE   ARG  13           HE       ARG  13   7.576  -5.277   5.691
   94   HH11  ARG  13          1HH2      ARG  13   9.022  -2.162   5.318
   95   HH12  ARG  13          2HH2      ARG  13  10.592  -2.794   4.954
   96   HH21  ARG  13          1HH1      ARG  13   9.619  -6.110   5.218
   97   HH22  ARG  13          2HH1      ARG  13  10.930  -5.025   4.895
  Start of MODEL    4
    1    H1   GLY   1           H1       GLY   1  -4.513   9.064  -1.268
    2    HA2  GLY   1           2HA      GLY   1  -2.072   8.687  -2.927
    3    HA3  GLY   1           1HA      GLY   1  -2.134   8.577  -1.167
    4    H    CYS   2           H        CYS   2  -0.934   6.525  -2.571
    5    HA   CYS   2           HA       CYS   2  -2.880   4.357  -3.014
    6    HB2  CYS   2           2HB      CYS   2  -0.067   4.992  -3.534
    7    HB3  CYS   2           1HB      CYS   2  -0.300   3.315  -3.026
    8    H    CYS   3           H        CYS   3  -1.230   5.666  -0.334
    9    HA   CYS   3           HA       CYS   3  -0.839   3.165   1.137
   10    HB2  CYS   3           2HB      CYS   3  -0.004   5.848   1.255
   11    HB3  CYS   3           1HB      CYS   3  -0.953   5.600   2.720
   12    H    SER   4           H        SER   4  -3.473   3.163   0.273
   13    HA   SER   4           HA       SER   4  -5.039   3.851   2.740
   14    HB2  SER   4           2HB      SER   4  -6.926   4.127   1.201
   15    HB3  SER   4           1HB      SER   4  -5.571   5.102   0.639
   16    HG   SER   4           HG       SER   4  -5.256   3.746  -0.996
   17    H    ASP   5           H        ASP   5  -4.710   1.508   0.066
   18    HA   ASP   5           HA       ASP   5  -6.004  -0.547   1.824
   19    HB2  ASP   5           2HB      ASP   5  -6.249  -1.595  -0.639
   20    HB3  ASP   5           1HB      ASP   5  -7.425  -0.463   0.012
   21    HA   PRO   6           HA       PRO   6  -2.397  -2.995   1.330
   22    HB2  PRO   6           2HB      PRO   6  -3.441  -5.520   1.226
   23    HB3  PRO   6           1HB      PRO   6  -3.478  -4.517   2.692
   24    HG2  PRO   6           2HG      PRO   6  -5.661  -5.263   0.889
   25    HG3  PRO   6           1HG      PRO   6  -5.725  -4.680   2.555
   26    HD2  PRO   6           2HD      PRO   6  -6.201  -3.212   0.153
   27    HD3  PRO   6           1HD      PRO   6  -6.276  -2.629   1.828
   28    H    ARG   7           H        ARG   7  -3.672  -2.079  -1.289
   29    HA   ARG   7           HA       ARG   7  -2.636  -4.289  -3.036
   30    HB2  ARG   7           2HB      ARG   7  -4.693  -2.161  -3.695
   31    HB3  ARG   7           1HB      ARG   7  -4.322  -3.612  -4.628
   32    HG2  ARG   7           2HG      ARG   7  -4.963  -4.879  -2.427
   33    HG3  ARG   7           1HG      ARG   7  -5.782  -3.373  -2.010
   34    HD2  ARG   7           2HD      ARG   7  -6.309  -4.287  -4.768
   35    HD3  ARG   7           1HD      ARG   7  -6.930  -5.370  -3.505
   36    HE   ARG   7           HE       ARG   7  -7.616  -2.862  -2.577
   37   HH11  ARG   7          1HH2      ARG   7  -8.025  -4.575  -5.548
   38   HH12  ARG   7          2HH2      ARG   7  -9.522  -3.797  -5.939
   39   HH21  ARG   7          1HH1      ARG   7  -9.564  -1.841  -3.077
   40   HH22  ARG   7          2HH1      ARG   7 -10.394  -2.253  -4.542
   41    H    CYS   8           H        CYS   8  -2.268  -0.996  -2.073
   42    HA   CYS   8           HA       CYS   8  -0.319  -0.592  -4.319
   43    HB2  CYS   8           2HB      CYS   8  -2.691   0.555  -4.388
   44    HB3  CYS   8           1HB      CYS   8  -1.969   1.661  -3.212
   45    H    ARG   9           H        ARG   9  -0.777  -0.690  -0.986
   46    HA   ARG   9           HA       ARG   9   1.265   1.399  -0.415
   47    HB2  ARG   9           2HB      ARG   9   0.461   1.258   1.815
   48    HB3  ARG   9           1HB      ARG   9  -0.976   1.060   0.814
   49    HG2  ARG   9           2HG      ARG   9  -1.371  -0.937   1.764
   50    HG3  ARG   9           1HG      ARG   9   0.196  -1.526   1.205
   51    HD2  ARG   9           2HD      ARG   9   1.292  -0.804   3.210
   52    HD3  ARG   9           1HD      ARG   9  -0.109   0.166   3.706
   53    HE   ARG   9           HE       ARG   9  -1.041  -2.475   3.350
   54   HH11  ARG   9          1HH2      ARG   9   1.187  -0.712   5.317
   55   HH12  ARG   9          2HH2      ARG   9   1.024  -1.772   6.676
   56   HH21  ARG   9          1HH1      ARG   9  -1.257  -3.863   5.117
   57   HH22  ARG   9          2HH1      ARG   9  -0.357  -3.554   6.563
   58    H    TRP  10           H        TRP  10   1.955  -1.174  -1.764
   59    HA   TRP  10           HA       TRP  10   3.182  -3.026   0.027
   60    HB2  TRP  10           2HB      TRP  10   3.752  -2.177  -2.829
   61    HB3  TRP  10           1HB      TRP  10   4.513  -3.575  -2.062
   62    HD1  TRP  10           HD       TRP  10   0.999  -2.238  -2.943
   63    HE1  TRP  10           1HE      TRP  10  -0.575  -4.252  -3.267
   64    HE3  TRP  10           3HE      TRP  10   4.162  -6.047  -1.676
   65    HZ2  TRP  10           2HZ      TRP  10  -0.503  -7.100  -3.026
   66    HZ3  TRP  10           3HZ      TRP  10   3.382  -8.398  -1.736
   67    HH2  TRP  10           HH       TRP  10   1.055  -8.930  -2.408
   68    H    ARG  11           H        ARG  11   4.897  -0.635  -2.015
   69    HA   ARG  11           HA       ARG  11   7.161  -0.632  -0.109
   70    HB2  ARG  11           2HB      ARG  11   6.565   0.146  -2.915
   71    HB3  ARG  11           1HB      ARG  11   7.814   1.086  -2.101
   72    HG2  ARG  11           2HG      ARG  11   8.561  -1.027  -3.379
   73    HG3  ARG  11           1HG      ARG  11   9.175  -0.820  -1.739
   74    HD2  ARG  11           2HD      ARG  11   8.451  -3.029  -1.624
   75    HD3  ARG  11           1HD      ARG  11   6.940  -2.230  -1.177
   76    HE   ARG  11           HE       ARG  11   6.198  -2.415  -3.491
   77   HH11  ARG  11          1HH2      ARG  11   9.218  -4.000  -2.801
   78   HH12  ARG  11          2HH2      ARG  11   9.102  -5.050  -4.166
   79   HH21  ARG  11          1HH1      ARG  11   6.076  -3.786  -5.258
   80   HH22  ARG  11          2HH1      ARG  11   7.344  -4.929  -5.551
   81    H    CYS  12           H        CYS  12   4.515   0.631   0.595
   82    HA   CYS  12           HA       CYS  12   4.815   3.512   0.439
   83    HB2  CYS  12           2HB      CYS  12   2.821   1.716   0.976
   84    HB3  CYS  12           1HB      CYS  12   3.188   2.309   2.599
   85    H    ARG  13           H        ARG  13   5.995   1.043   2.613
   86    HA   ARG  13           HA       ARG  13   7.364   1.201   4.537
   87    HB2  ARG  13           2HB      ARG  13   7.786   3.708   2.948
   88    HB3  ARG  13           1HB      ARG  13   8.520   3.597   4.552
   89    HG2  ARG  13           2HG      ARG  13   9.848   1.753   3.952
   90    HG3  ARG  13           1HG      ARG  13   8.830   1.352   2.569
   91    HD2  ARG  13           2HD      ARG  13   9.920   4.058   2.360
   92    HD3  ARG  13           1HD      ARG  13  11.192   2.823   2.450
   93    HE   ARG  13           HE       ARG  13   9.203   1.825   0.706
   94   HH11  ARG  13          1HH2      ARG  13  11.441   4.446   0.941
   95   HH12  ARG  13          2HH2      ARG  13  11.636   4.604  -0.772
   96   HH21  ARG  13          1HH1      ARG  13   9.448   2.026  -1.531
   97   HH22  ARG  13          2HH1      ARG  13  10.508   3.237  -2.169
  Start of MODEL    5
    1    H1   GLY   1           H1       GLY   1  -0.175   8.913  -1.057
    2    HA2  GLY   1           2HA      GLY   1  -0.530   8.450  -3.879
    3    HA3  GLY   1           1HA      GLY   1   0.774   7.790  -2.891
    4    H    CYS   2           H        CYS   2   0.120   5.909  -1.450
    5    HA   CYS   2           HA       CYS   2  -2.140   4.320  -2.592
    6    HB2  CYS   2           2HB      CYS   2   0.801   3.786  -2.614
    7    HB3  CYS   2           1HB      CYS   2  -0.275   2.409  -2.354
    8    H    CYS   3           H        CYS   3  -0.910   5.649   0.107
    9    HA   CYS   3           HA       CYS   3  -0.931   3.385   1.947
   10    HB2  CYS   3           2HB      CYS   3  -0.762   6.382   2.077
   11    HB3  CYS   3           1HB      CYS   3  -1.052   5.473   3.561
   12    H    SER   4           H        SER   4  -3.276   3.072   0.637
   13    HA   SER   4           HA       SER   4  -5.305   3.879   2.676
   14    HB2  SER   4           2HB      SER   4  -5.598   5.470   0.933
   15    HB3  SER   4           1HB      SER   4  -5.325   4.264  -0.322
   16    HG   SER   4           HG       SER   4  -7.292   3.331   0.199
   17    H    ASP   5           H        ASP   5  -4.418   1.744  -0.035
   18    HA   ASP   5           HA       ASP   5  -6.372  -0.261   1.038
   19    HB2  ASP   5           2HB      ASP   5  -5.933  -1.127  -1.462
   20    HB3  ASP   5           1HB      ASP   5  -7.148   0.090  -1.093
   21    HA   PRO   6           HA       PRO   6  -3.031  -3.079   1.437
   22    HB2  PRO   6           2HB      PRO   6  -4.389  -5.432   1.140
   23    HB3  PRO   6           1HB      PRO   6  -4.611  -4.360   2.538
   24    HG2  PRO   6           2HG      PRO   6  -6.426  -4.904   0.315
   25    HG3  PRO   6           1HG      PRO   6  -6.764  -4.181   1.890
   26    HD2  PRO   6           2HD      PRO   6  -6.404  -2.862  -0.642
   27    HD3  PRO   6           1HD      PRO   6  -6.852  -2.157   0.927
   28    H    ARG   7           H        ARG   7  -3.872  -2.271  -1.529
   29    HA   ARG   7           HA       ARG   7  -2.550  -4.624  -2.839
   30    HB2  ARG   7           2HB      ARG   7  -3.825  -3.513  -4.886
   31    HB3  ARG   7           1HB      ARG   7  -4.681  -4.564  -3.760
   32    HG2  ARG   7           2HG      ARG   7  -5.623  -2.714  -2.592
   33    HG3  ARG   7           1HG      ARG   7  -4.529  -1.570  -3.369
   34    HD2  ARG   7           2HD      ARG   7  -5.624  -2.366  -5.597
   35    HD3  ARG   7           1HD      ARG   7  -6.920  -2.980  -4.551
   36    HE   ARG   7           HE       ARG   7  -6.525  -0.442  -3.578
   37   HH11  ARG   7          1HH2      ARG   7  -7.006  -1.775  -6.728
   38   HH12  ARG   7          2HH2      ARG   7  -7.798  -0.363  -7.344
   39   HH21  ARG   7          1HH1      ARG   7  -7.555   1.402  -4.371
   40   HH22  ARG   7          2HH1      ARG   7  -8.107   1.433  -6.012
   41    H    CYS   8           H        CYS   8  -2.145  -1.356  -2.031
   42    HA   CYS   8           HA       CYS   8   0.081  -1.131  -4.021
   43    HB2  CYS   8           2HB      CYS   8  -2.113   0.041  -4.660
   44    HB3  CYS   8           1HB      CYS   8  -1.803   1.126  -3.300
   45    H    ARG   9           H        ARG   9  -0.705  -1.242  -0.849
   46    HA   ARG   9           HA       ARG   9   0.839   1.043   0.153
   47    HB2  ARG   9           2HB      ARG   9   0.276   0.004   2.324
   48    HB3  ARG   9           1HB      ARG   9  -1.146   0.098   1.286
   49    HG2  ARG   9           2HG      ARG   9  -1.377  -2.112   1.766
   50    HG3  ARG   9           1HG      ARG   9  -0.109  -2.330   0.556
   51    HD2  ARG   9           2HD      ARG   9   0.842  -3.468   2.352
   52    HD3  ARG   9           1HD      ARG   9   1.470  -1.844   2.667
   53    HE   ARG   9           HE       ARG   9  -0.875  -3.081   4.034
   54   HH11  ARG   9          1HH2      ARG   9   1.413  -0.475   3.701
   55   HH12  ARG   9          2HH2      ARG   9   0.970   0.247   5.203
   56   HH21  ARG   9          1HH1      ARG   9  -1.429  -2.120   5.976
   57   HH22  ARG   9          2HH1      ARG   9  -0.625  -0.673   6.485
   58    H    TRP  10           H        TRP  10   1.908  -1.557  -1.439
   59    HA   TRP  10           HA       TRP  10   3.880  -2.696   0.357
   60    HB2  TRP  10           2HB      TRP  10   3.744  -2.571  -2.676
   61    HB3  TRP  10           1HB      TRP  10   4.700  -3.715  -1.729
   62    HD1  TRP  10           HD       TRP  10   1.092  -2.847  -2.637
   63    HE1  TRP  10           1HE      TRP  10  -0.410  -4.868  -2.089
   64    HE3  TRP  10           3HE      TRP  10   4.479  -5.845  -0.266
   65    HZ2  TRP  10           2HZ      TRP  10  -0.204  -7.419  -0.812
   66    HZ3  TRP  10           3HZ      TRP  10   3.800  -8.063   0.605
   67    HH2  TRP  10           HH       TRP  10   1.466  -8.854   0.336
   68    H    ARG  11           H        ARG  11   4.001  -0.205  -2.203
   69    HA   ARG  11           HA       ARG  11   6.836   0.376  -1.589
   70    HB2  ARG  11           2HB      ARG  11   4.879   1.655  -3.524
   71    HB3  ARG  11           1HB      ARG  11   6.637   1.808  -3.557
   72    HG2  ARG  11           2HG      ARG  11   5.092  -0.781  -3.898
   73    HG3  ARG  11           1HG      ARG  11   5.864   0.130  -5.196
   74    HD2  ARG  11           2HD      ARG  11   7.825  -0.909  -4.760
   75    HD3  ARG  11           1HD      ARG  11   7.789  -0.292  -3.097
   76    HE   ARG  11           HE       ARG  11   5.950  -2.511  -3.498
   77   HH11  ARG  11          1HH2      ARG  11   9.217  -1.575  -2.889
   78   HH12  ARG  11          2HH2      ARG  11   9.619  -3.042  -2.062
   79   HH21  ARG  11          1HH1      ARG  11   6.464  -4.429  -2.423
   80   HH22  ARG  11          2HH1      ARG  11   8.062  -4.655  -1.797
   81    H    CYS  12           H        CYS  12   3.645   1.677  -0.922
   82    HA   CYS  12           HA       CYS  12   4.013   4.358  -0.379
   83    HB2  CYS  12           2HB      CYS  12   2.170   2.404   0.208
   84    HB3  CYS  12           1HB      CYS  12   2.743   2.849   1.819
   85    H    ARG  13           H        ARG  13   4.721   1.750   1.978
   86    HA   ARG  13           HA       ARG  13   6.085   3.544   3.814
   87    HB2  ARG  13           2HB      ARG  13   6.528   1.440   5.005
   88    HB3  ARG  13           1HB      ARG  13   4.860   1.458   4.422
   89    HG2  ARG  13           2HG      ARG  13   5.484  -0.634   3.677
   90    HG3  ARG  13           1HG      ARG  13   5.990   0.323   2.284
   91    HD2  ARG  13           2HD      ARG  13   8.232   0.539   3.778
   92    HD3  ARG  13           1HD      ARG  13   7.659  -1.046   4.336
   93    HE   ARG  13           HE       ARG  13   7.450  -0.799   1.456
   94   HH11  ARG  13          1HH2      ARG  13   9.596  -1.383   4.100
   95   HH12  ARG  13          2HH2      ARG  13  10.699  -2.331   3.160
   96   HH21  ARG  13          1HH1      ARG  13   8.882  -2.035   0.225
   97   HH22  ARG  13          2HH1      ARG  13  10.295  -2.702   0.971
  Start of MODEL    6
    1    H1   GLY   1           H1       GLY   1   2.421   7.244  -2.332
    2    HA2  GLY   1           2HA      GLY   1   0.077   8.488  -0.946
    3    HA3  GLY   1           1HA      GLY   1   0.506   8.872  -2.614
    4    H    CYS   2           H        CYS   2   0.400   5.712  -0.968
    5    HA   CYS   2           HA       CYS   2  -1.957   4.915  -2.573
    6    HB2  CYS   2           2HB      CYS   2   0.571   4.640  -3.610
    7    HB3  CYS   2           1HB      CYS   2   0.339   3.073  -2.827
    8    H    CYS   3           H        CYS   3  -0.773   5.062   0.337
    9    HA   CYS   3           HA       CYS   3  -0.896   2.249   1.197
   10    HB2  CYS   3           2HB      CYS   3   0.445   4.407   2.064
   11    HB3  CYS   3           1HB      CYS   3  -0.985   4.563   3.084
   12    H    SER   4           H        SER   4  -3.272   4.051   0.090
   13    HA   SER   4           HA       SER   4  -5.189   4.252   2.227
   14    HB2  SER   4           2HB      SER   4  -6.660   4.847   0.467
   15    HB3  SER   4           1HB      SER   4  -5.074   5.332  -0.130
   16    HG   SER   4           HG       SER   4  -6.800   3.517  -1.121
   17    H    ASP   5           H        ASP   5  -4.423   1.678  -0.112
   18    HA   ASP   5           HA       ASP   5  -6.247  -0.119   1.445
   19    HB2  ASP   5           2HB      ASP   5  -6.326  -1.233  -1.001
   20    HB3  ASP   5           1HB      ASP   5  -7.449   0.024  -0.506
   21    HA   PRO   6           HA       PRO   6  -2.972  -3.007   1.562
   22    HB2  PRO   6           2HB      PRO   6  -4.301  -5.382   1.313
   23    HB3  PRO   6           1HB      PRO   6  -4.420  -4.356   2.758
   24    HG2  PRO   6           2HG      PRO   6  -6.362  -4.764   0.568
   25    HG3  PRO   6           1HG      PRO   6  -6.639  -4.360   2.264
   26    HD2  PRO   6           2HD      PRO   6  -6.742  -2.591   0.120
   27    HD3  PRO   6           1HD      PRO   6  -6.670  -2.156   1.839
   28    H    ARG   7           H        ARG   7  -4.413  -2.338  -1.321
   29    HA   ARG   7           HA       ARG   7  -3.083  -4.547  -2.828
   30    HB2  ARG   7           2HB      ARG   7  -4.864  -2.378  -3.940
   31    HB3  ARG   7           1HB      ARG   7  -4.602  -4.005  -4.565
   32    HG2  ARG   7           2HG      ARG   7  -5.655  -4.851  -2.388
   33    HG3  ARG   7           1HG      ARG   7  -6.174  -3.187  -2.116
   34    HD2  ARG   7           2HD      ARG   7  -6.871  -4.907  -4.527
   35    HD3  ARG   7           1HD      ARG   7  -7.982  -4.388  -3.243
   36    HE   ARG   7           HE       ARG   7  -6.692  -2.073  -4.292
   37   HH11  ARG   7          1HH2      ARG   7  -8.926  -4.553  -5.182
   38   HH12  ARG   7          2HH2      ARG   7  -9.792  -3.551  -6.298
   39   HH21  ARG   7          1HH1      ARG   7  -7.816  -0.757  -5.745
   40   HH22  ARG   7          2HH1      ARG   7  -9.167  -1.405  -6.613
   41    H    CYS   8           H        CYS   8  -2.463  -1.393  -1.805
   42    HA   CYS   8           HA       CYS   8  -0.392  -1.068  -3.940
   43    HB2  CYS   8           2HB      CYS   8  -2.650   0.200  -4.224
   44    HB3  CYS   8           1HB      CYS   8  -2.055   1.229  -2.920
   45    H    ARG   9           H        ARG   9  -0.673  -1.659  -0.863
   46    HA   ARG   9           HA       ARG   9   0.816   0.595   0.323
   47    HB2  ARG   9           2HB      ARG   9   0.582  -0.768   2.363
   48    HB3  ARG   9           1HB      ARG   9  -0.961  -0.671   1.516
   49    HG2  ARG   9           2HG      ARG   9  -0.806  -2.876   0.713
   50    HG3  ARG   9           1HG      ARG   9   0.941  -2.944   0.975
   51    HD2  ARG   9           2HD      ARG   9  -0.460  -2.396   3.470
   52    HD3  ARG   9           1HD      ARG   9  -1.023  -3.907   2.731
   53    HE   ARG   9           HE       ARG   9   1.604  -3.485   3.848
   54   HH11  ARG   9          1HH2      ARG   9  -0.125  -4.927   1.228
   55   HH12  ARG   9          2HH2      ARG   9   1.046  -6.177   0.975
   56   HH21  ARG   9          1HH1      ARG   9   3.138  -5.108   3.525
   57   HH22  ARG   9          2HH1      ARG   9   2.892  -6.280   2.273
   58    H    TRP  10           H        TRP  10   2.130  -0.861  -1.876
   59    HA   TRP  10           HA       TRP  10   4.115  -2.677  -0.790
   60    HB2  TRP  10           2HB      TRP  10   3.622  -1.178  -3.351
   61    HB3  TRP  10           1HB      TRP  10   5.144  -2.042  -3.116
   62    HD1  TRP  10           HD       TRP  10   1.402  -2.600  -3.533
   63    HE1  TRP  10           1HE      TRP  10   0.976  -5.101  -3.990
   64    HE3  TRP  10           3HE      TRP  10   6.091  -4.453  -2.725
   65    HZ2  TRP  10           2HZ      TRP  10   2.434  -7.564  -4.010
   66    HZ3  TRP  10           3HZ      TRP  10   6.545  -6.876  -2.970
   67    HH2  TRP  10           HH       TRP  10   4.724  -8.433  -3.611
   68    H    ARG  11           H        ARG  11   4.520   0.548  -2.249
   69    HA   ARG  11           HA       ARG  11   7.058   0.925  -0.791
   70    HB2  ARG  11           2HB      ARG  11   7.201   2.911  -2.276
   71    HB3  ARG  11           1HB      ARG  11   6.850   1.445  -3.189
   72    HG2  ARG  11           2HG      ARG  11   4.322   2.338  -2.539
   73    HG3  ARG  11           1HG      ARG  11   5.198   3.846  -2.792
   74    HD2  ARG  11           2HD      ARG  11   4.588   3.402  -4.988
   75    HD3  ARG  11           1HD      ARG  11   6.107   2.490  -4.936
   76    HE   ARG  11           HE       ARG  11   4.010   0.826  -3.942
   77   HH11  ARG  11          1HH2      ARG  11   5.157   2.319  -6.837
   78   HH12  ARG  11          2HH2      ARG  11   4.503   1.098  -7.876
   79   HH21  ARG  11          1HH1      ARG  11   3.156  -0.769  -5.285
   80   HH22  ARG  11          2HH1      ARG  11   3.374  -0.649  -7.000
   81    H    CYS  12           H        CYS  12   4.643   0.892   0.829
   82    HA   CYS  12           HA       CYS  12   4.143   3.738   1.509
   83    HB2  CYS  12           2HB      CYS  12   2.227   2.286   1.377
   84    HB3  CYS  12           1HB      CYS  12   3.012   1.068   2.391
   85    H    ARG  13           H        ARG  13   5.969   0.980   2.610
   86    HA   ARG  13           HA       ARG  13   6.849   2.566   4.997
   87    HB2  ARG  13           2HB      ARG  13   6.686   0.598   6.335
   88    HB3  ARG  13           1HB      ARG  13   5.204   0.617   5.373
   89    HG2  ARG  13           2HG      ARG  13   6.396  -0.864   3.694
   90    HG3  ARG  13           1HG      ARG  13   7.699  -1.027   4.871
   91    HD2  ARG  13           2HD      ARG  13   4.947  -1.532   5.892
   92    HD3  ARG  13           1HD      ARG  13   5.623  -2.751   4.797
   93    HE   ARG  13           HE       ARG  13   6.628  -2.111   7.472
   94   HH11  ARG  13          1HH2      ARG  13   7.320  -3.346   4.319
   95   HH12  ARG  13          2HH2      ARG  13   8.651  -4.317   4.853
   96   HH21  ARG  13          1HH1      ARG  13   8.364  -3.373   8.175
   97   HH22  ARG  13          2HH1      ARG  13   9.240  -4.332   7.031
  Start of MODEL    7
    1    H1   GLY   1           H1       GLY   1  -2.550   9.755  -0.243
    2    HA2  GLY   1           2HA      GLY   1  -2.776   9.608  -3.099
    3    HA3  GLY   1           1HA      GLY   1  -1.376   9.084  -2.162
    4    H    CYS   2           H        CYS   2  -0.963   6.934  -2.225
    5    HA   CYS   2           HA       CYS   2  -3.203   5.095  -2.998
    6    HB2  CYS   2           2HB      CYS   2  -0.848   5.609  -4.268
    7    HB3  CYS   2           1HB      CYS   2  -0.365   4.256  -3.238
    8    H    CYS   3           H        CYS   3  -1.376   6.045  -0.367
    9    HA   CYS   3           HA       CYS   3  -0.921   3.396   0.815
   10    HB2  CYS   3           2HB      CYS   3  -0.648   6.273   1.718
   11    HB3  CYS   3           1HB      CYS   3  -0.302   4.915   2.791
   12    H    SER   4           H        SER   4  -3.464   3.154   0.317
   13    HA   SER   4           HA       SER   4  -4.903   3.873   2.850
   14    HB2  SER   4           2HB      SER   4  -5.499   5.081   0.651
   15    HB3  SER   4           1HB      SER   4  -6.149   3.534   0.115
   16    HG   SER   4           HG       SER   4  -7.180   3.754   2.413
   17    H    ASP   5           H        ASP   5  -4.621   1.540   0.160
   18    HA   ASP   5           HA       ASP   5  -5.874  -0.515   1.950
   19    HB2  ASP   5           2HB      ASP   5  -6.208  -1.560  -0.502
   20    HB3  ASP   5           1HB      ASP   5  -7.362  -0.435   0.200
   21    HA   PRO   6           HA       PRO   6  -2.324  -3.012   1.373
   22    HB2  PRO   6           2HB      PRO   6  -3.426  -5.513   1.372
   23    HB3  PRO   6           1HB      PRO   6  -3.376  -4.481   2.815
   24    HG2  PRO   6           2HG      PRO   6  -5.651  -5.185   1.095
   25    HG3  PRO   6           1HG      PRO   6  -5.631  -4.640   2.774
   26    HD2  PRO   6           2HD      PRO   6  -6.237  -3.110   0.470
   27    HD3  PRO   6           1HD      PRO   6  -6.110  -2.544   2.148
   28    H    ARG   7           H        ARG   7  -4.098  -2.340  -1.203
   29    HA   ARG   7           HA       ARG   7  -3.080  -4.546  -2.942
   30    HB2  ARG   7           2HB      ARG   7  -5.105  -2.329  -3.392
   31    HB3  ARG   7           1HB      ARG   7  -4.741  -3.621  -4.536
   32    HG2  ARG   7           2HG      ARG   7  -5.300  -5.216  -2.551
   33    HG3  ARG   7           1HG      ARG   7  -6.103  -3.806  -1.858
   34    HD2  ARG   7           2HD      ARG   7  -7.868  -4.721  -3.081
   35    HD3  ARG   7           1HD      ARG   7  -7.160  -3.666  -4.320
   36    HE   ARG   7           HE       ARG   7  -5.858  -6.260  -4.240
   37   HH11  ARG   7          1HH2      ARG   7  -8.612  -4.495  -5.351
   38   HH12  ARG   7          2HH2      ARG   7  -8.882  -5.528  -6.715
   39   HH21  ARG   7          1HH1      ARG   7  -6.203  -7.609  -6.016
   40   HH22  ARG   7          2HH1      ARG   7  -7.522  -7.288  -7.091
   41    H    CYS   8           H        CYS   8  -2.536  -1.234  -2.116
   42    HA   CYS   8           HA       CYS   8  -0.700  -0.960  -4.476
   43    HB2  CYS   8           2HB      CYS   8  -2.745   0.422  -4.632
   44    HB3  CYS   8           1HB      CYS   8  -2.379   1.137  -3.059
   45    H    ARG   9           H        ARG   9  -1.064  -0.850  -1.049
   46    HA   ARG   9           HA       ARG   9   1.175   0.911  -0.481
   47    HB2  ARG   9           2HB      ARG   9  -0.957  -0.433   0.870
   48    HB3  ARG   9           1HB      ARG   9   0.557  -0.851   1.677
   49    HG2  ARG   9           2HG      ARG   9   0.972   1.299   2.329
   50    HG3  ARG   9           1HG      ARG   9   0.224   1.983   0.885
   51    HD2  ARG   9           2HD      ARG   9  -1.080   2.413   3.021
   52    HD3  ARG   9           1HD      ARG   9  -2.011   1.557   1.776
   53    HE   ARG   9           HE       ARG   9  -1.973  -0.364   3.149
   54   HH11  ARG   9          1HH2      ARG   9   0.433   1.930   4.083
   55   HH12  ARG   9          2HH2      ARG   9   0.889   1.062   5.509
   56   HH21  ARG   9          1HH1      ARG   9  -1.387  -1.503   5.006
   57   HH22  ARG   9          2HH1      ARG   9  -0.140  -0.877   6.034
   58    H    TRP  10           H        TRP  10   2.627  -0.314  -2.025
   59    HA   TRP  10           HA       TRP  10   3.611  -2.951  -1.232
   60    HB2  TRP  10           2HB      TRP  10   4.186  -0.851  -3.289
   61    HB3  TRP  10           1HB      TRP  10   5.419  -2.081  -2.991
   62    HD1  TRP  10           HD       TRP  10   1.851  -1.647  -4.272
   63    HE1  TRP  10           1HE      TRP  10   1.144  -3.794  -5.513
   64    HE3  TRP  10           3HE      TRP  10   5.829  -4.653  -3.172
   65    HZ2  TRP  10           2HZ      TRP  10   2.135  -6.436  -5.977
   66    HZ3  TRP  10           3HZ      TRP  10   5.922  -6.978  -4.023
   67    HH2  TRP  10           HH       TRP  10   4.081  -7.873  -5.424
   68    H    ARG  11           H        ARG  11   5.559  -0.014  -1.729
   69    HA   ARG  11           HA       ARG  11   7.377  -0.812   0.446
   70    HB2  ARG  11           2HB      ARG  11   8.673   1.108  -0.418
   71    HB3  ARG  11           1HB      ARG  11   8.145   0.069  -1.744
   72    HG2  ARG  11           2HG      ARG  11   6.061   1.946  -1.264
   73    HG3  ARG  11           1HG      ARG  11   7.574   2.850  -1.328
   74    HD2  ARG  11           2HD      ARG  11   7.614   2.629  -3.574
   75    HD3  ARG  11           1HD      ARG  11   7.597   0.867  -3.415
   76    HE   ARG  11           HE       ARG  11   5.089   1.042  -3.170
   77   HH11  ARG  11          1HH2      ARG  11   6.866   3.644  -4.671
   78   HH12  ARG  11          2HH2      ARG  11   5.482   4.241  -5.510
   79   HH21  ARG  11          1HH1      ARG  11   3.322   1.847  -4.275
   80   HH22  ARG  11          2HH1      ARG  11   3.495   3.238  -5.292
   81    H    CYS  12           H        CYS  12   4.627   1.232   0.046
   82    HA   CYS  12           HA       CYS  12   5.097   3.360   1.836
   83    HB2  CYS  12           2HB      CYS  12   3.137   2.978   0.314
   84    HB3  CYS  12           1HB      CYS  12   2.550   1.754   1.444
   85    H    ARG  13           H        ARG  13   3.649   0.161   2.588
   86    HA   ARG  13           HA       ARG  13   3.421  -0.952   4.662
   87    HB2  ARG  13           2HB      ARG  13   5.932  -0.772   4.183
   88    HB3  ARG  13           1HB      ARG  13   5.948   0.578   5.322
   89    HG2  ARG  13           2HG      ARG  13   5.449  -0.777   7.147
   90    HG3  ARG  13           1HG      ARG  13   4.672  -2.007   6.151
   91    HD2  ARG  13           2HD      ARG  13   6.827  -2.872   6.921
   92    HD3  ARG  13           1HD      ARG  13   6.948  -2.546   5.181
   93    HE   ARG  13           HE       ARG  13   7.633  -0.179   6.649
   94   HH11  ARG  13          1HH2      ARG  13   8.760  -3.341   5.838
   95   HH12  ARG  13          2HH2      ARG  13  10.434  -2.908   5.931
   96   HH21  ARG  13          1HH1      ARG  13   9.814   0.396   6.771
   97   HH22  ARG  13          2HH1      ARG  13  11.030  -0.797   6.460
  Start of MODEL    8
    1    H1   GLY   1           H1       GLY   1  -2.714   9.821  -2.091
    2    HA2  GLY   1           2HA      GLY   1  -1.738   8.485  -3.914
    3    HA3  GLY   1           1HA      GLY   1  -0.715   8.226  -2.501
    4    H    CYS   2           H        CYS   2  -0.393   6.131  -1.951
    5    HA   CYS   2           HA       CYS   2  -2.370   4.095  -2.933
    6    HB2  CYS   2           2HB      CYS   2   0.569   4.372  -2.901
    7    HB3  CYS   2           1HB      CYS   2  -0.008   2.778  -2.425
    8    H    CYS   3           H        CYS   3  -0.679   5.366  -0.152
    9    HA   CYS   3           HA       CYS   3  -0.940   3.112   1.612
   10    HB2  CYS   3           2HB      CYS   3   0.057   5.757   1.610
   11    HB3  CYS   3           1HB      CYS   3  -1.111   5.684   2.930
   12    H    SER   4           H        SER   4  -3.341   2.936   0.474
   13    HA   SER   4           HA       SER   4  -5.235   3.908   2.574
   14    HB2  SER   4           2HB      SER   4  -5.599   5.455   0.841
   15    HB3  SER   4           1HB      SER   4  -5.282   4.264  -0.416
   16    HG   SER   4           HG       SER   4  -7.579   4.946   0.165
   17    H    ASP   5           H        ASP   5  -4.578   1.652  -0.096
   18    HA   ASP   5           HA       ASP   5  -6.614  -0.212   1.075
   19    HB2  ASP   5           2HB      ASP   5  -6.194  -1.213  -1.385
   20    HB3  ASP   5           1HB      ASP   5  -7.353   0.073  -1.086
   21    HA   PRO   6           HA       PRO   6  -3.441  -3.173   1.661
   22    HB2  PRO   6           2HB      PRO   6  -4.734  -5.515   1.094
   23    HB3  PRO   6           1HB      PRO   6  -5.109  -4.518   2.515
   24    HG2  PRO   6           2HG      PRO   6  -6.658  -4.926   0.063
   25    HG3  PRO   6           1HG      PRO   6  -7.184  -4.350   1.647
   26    HD2  PRO   6           2HD      PRO   6  -6.651  -2.813  -0.693
   27    HD3  PRO   6           1HD      PRO   6  -7.171  -2.235   0.903
   28    H    ARG   7           H        ARG   7  -3.842  -2.182  -1.302
   29    HA   ARG   7           HA       ARG   7  -2.176  -4.365  -2.508
   30    HB2  ARG   7           2HB      ARG   7  -4.350  -2.779  -3.902
   31    HB3  ARG   7           1HB      ARG   7  -3.489  -4.187  -4.529
   32    HG2  ARG   7           2HG      ARG   7  -4.413  -5.374  -2.382
   33    HG3  ARG   7           1HG      ARG   7  -5.590  -4.059  -2.386
   34    HD2  ARG   7           2HD      ARG   7  -5.855  -4.698  -4.939
   35    HD3  ARG   7           1HD      ARG   7  -5.206  -6.258  -4.397
   36    HE   ARG   7           HE       ARG   7  -7.241  -5.342  -2.577
   37   HH11  ARG   7          1HH2      ARG   7  -6.704  -6.702  -5.704
   38   HH12  ARG   7          2HH2      ARG   7  -8.238  -7.502  -5.763
   39   HH21  ARG   7          1HH1      ARG   7  -9.247  -6.381  -2.643
   40   HH22  ARG   7          2HH1      ARG   7  -9.676  -7.321  -4.033
   41    H    CYS   8           H        CYS   8  -2.336  -1.150  -1.645
   42    HA   CYS   8           HA       CYS   8  -0.516  -0.309  -3.879
   43    HB2  CYS   8           2HB      CYS   8  -2.884   0.787  -2.729
   44    HB3  CYS   8           1HB      CYS   8  -1.556   1.864  -2.322
   45    H    ARG   9           H        ARG   9  -0.531  -1.223  -0.646
   46    HA   ARG   9           HA       ARG   9   1.365   0.743   0.388
   47    HB2  ARG   9           2HB      ARG   9   1.172  -0.532   2.383
   48    HB3  ARG   9           1HB      ARG   9  -0.409  -0.658   1.615
   49    HG2  ARG   9           2HG      ARG   9   0.296  -2.827   0.600
   50    HG3  ARG   9           1HG      ARG   9   1.817  -2.712   1.492
   51    HD2  ARG   9           2HD      ARG   9   0.409  -2.511   3.619
   52    HD3  ARG   9           1HD      ARG   9  -0.978  -3.003   2.628
   53    HE   ARG   9           HE       ARG   9   0.954  -4.866   1.983
   54   HH11  ARG   9          1HH2      ARG   9  -0.418  -3.659   4.913
   55   HH12  ARG   9          2HH2      ARG   9  -0.198  -5.143   5.777
   56   HH21  ARG   9          1HH1      ARG   9   1.243  -6.806   3.100
   57   HH22  ARG   9          2HH1      ARG   9   0.741  -6.922   4.753
   58    H    TRP  10           H        TRP  10   1.962  -1.267  -2.022
   59    HA   TRP  10           HA       TRP  10   3.984  -3.074  -1.445
   60    HB2  TRP  10           2HB      TRP  10   3.756  -0.988  -3.636
   61    HB3  TRP  10           1HB      TRP  10   4.913  -2.322  -3.685
   62    HD1  TRP  10           HD       TRP  10   1.142  -1.624  -3.693
   63    HE1  TRP  10           1HE      TRP  10  -0.071  -3.678  -4.673
   64    HE3  TRP  10           3HE      TRP  10   5.082  -4.839  -4.147
   65    HZ2  TRP  10           2HZ      TRP  10   0.550  -6.332  -5.534
   66    HZ3  TRP  10           3HZ      TRP  10   4.743  -7.122  -5.051
   67    HH2  TRP  10           HH       TRP  10   2.484  -7.871  -5.745
   68    H    ARG  11           H        ARG  11   4.500   0.424  -2.058
   69    HA   ARG  11           HA       ARG  11   7.228   0.254  -0.923
   70    HB2  ARG  11           2HB      ARG  11   5.722   2.688  -1.912
   71    HB3  ARG  11           1HB      ARG  11   7.467   2.431  -1.879
   72    HG2  ARG  11           2HG      ARG  11   5.505   0.865  -3.582
   73    HG3  ARG  11           1HG      ARG  11   6.553   2.157  -4.165
   74    HD2  ARG  11           2HD      ARG  11   8.467   0.856  -4.017
   75    HD3  ARG  11           1HD      ARG  11   7.822  -0.120  -2.684
   76    HE   ARG  11           HE       ARG  11   6.108  -0.723  -4.740
   77   HH11  ARG  11          1HH2      ARG  11   9.546  -0.631  -4.411
   78   HH12  ARG  11          2HH2      ARG  11   9.817  -1.894  -5.564
   79   HH21  ARG  11          1HH1      ARG  11   6.453  -2.371  -6.243
   80   HH22  ARG  11          2HH1      ARG  11   8.071  -2.876  -6.600
   81    H    CYS  12           H        CYS  12   4.060   1.662  -0.157
   82    HA   CYS  12           HA       CYS  12   4.839   3.272   2.071
   83    HB2  CYS  12           2HB      CYS  12   2.537   2.585   0.657
   84    HB3  CYS  12           1HB      CYS  12   2.228   1.966   2.283
   85    H    ARG  13           H        ARG  13   3.618  -0.096   1.957
   86    HA   ARG  13           HA       ARG  13   3.723  -1.807   3.587
   87    HB2  ARG  13           2HB      ARG  13   6.113  -1.375   2.910
   88    HB3  ARG  13           1HB      ARG  13   6.254  -0.292   4.300
   89    HG2  ARG  13           2HG      ARG  13   5.171  -3.021   4.813
   90    HG3  ARG  13           1HG      ARG  13   6.893  -2.894   4.457
   91    HD2  ARG  13           2HD      ARG  13   7.221  -2.278   6.613
   92    HD3  ARG  13           1HD      ARG  13   6.307  -0.794   6.275
   93    HE   ARG  13           HE       ARG  13   4.312  -2.653   6.595
   94   HH11  ARG  13          1HH2      ARG  13   7.116  -1.784   8.419
   95   HH12  ARG  13          2HH2      ARG  13   6.412  -2.205   9.943
   96   HH21  ARG  13          1HH1      ARG  13   3.386  -3.205   8.581
   97   HH22  ARG  13          2HH1      ARG  13   4.303  -3.006  10.036
  Start of MODEL    9
    1    H1   GLY   1           H1       GLY   1  -5.313   8.117  -1.383
    2    HA2  GLY   1           2HA      GLY   1  -4.197   7.735  -3.425
    3    HA3  GLY   1           1HA      GLY   1  -2.752   7.947  -2.436
    4    H    CYS   2           H        CYS   2  -1.544   6.132  -1.868
    5    HA   CYS   2           HA       CYS   2  -2.454   3.545  -3.078
    6    HB2  CYS   2           2HB      CYS   2   0.055   5.092  -2.980
    7    HB3  CYS   2           1HB      CYS   2   0.264   3.368  -2.659
    8    H    CYS   3           H        CYS   3  -1.183   5.099  -0.176
    9    HA   CYS   3           HA       CYS   3  -0.843   2.545   1.255
   10    HB2  CYS   3           2HB      CYS   3   0.243   5.071   1.394
   11    HB3  CYS   3           1HB      CYS   3  -0.881   5.082   2.754
   12    H    SER   4           H        SER   4  -3.551   3.907   0.263
   13    HA   SER   4           HA       SER   4  -5.008   4.007   2.843
   14    HB2  SER   4           2HB      SER   4  -5.265   5.020   0.125
   15    HB3  SER   4           1HB      SER   4  -6.768   4.288   0.679
   16    HG   SER   4           HG       SER   4  -6.974   6.178   1.614
   17    H    ASP   5           H        ASP   5  -4.367   1.813   0.233
   18    HA   ASP   5           HA       ASP   5  -6.415  -0.062   1.361
   19    HB2  ASP   5           2HB      ASP   5  -6.267  -0.891  -1.186
   20    HB3  ASP   5           1HB      ASP   5  -7.376   0.378  -0.683
   21    HA   PRO   6           HA       PRO   6  -3.201  -3.042   1.359
   22    HB2  PRO   6           2HB      PRO   6  -4.645  -5.330   0.954
   23    HB3  PRO   6           1HB      PRO   6  -4.750  -4.370   2.443
   24    HG2  PRO   6           2HG      PRO   6  -6.704  -4.671   0.291
   25    HG3  PRO   6           1HG      PRO   6  -6.931  -4.095   1.944
   26    HD2  PRO   6           2HD      PRO   6  -6.710  -2.548  -0.458
   27    HD3  PRO   6           1HD      PRO   6  -6.990  -1.980   1.201
   28    H    ARG   7           H        ARG   7  -3.769  -1.837  -1.363
   29    HA   ARG   7           HA       ARG   7  -2.833  -4.148  -3.039
   30    HB2  ARG   7           2HB      ARG   7  -4.386  -1.733  -3.999
   31    HB3  ARG   7           1HB      ARG   7  -4.163  -3.277  -4.823
   32    HG2  ARG   7           2HG      ARG   7  -5.398  -4.354  -2.869
   33    HG3  ARG   7           1HG      ARG   7  -5.825  -2.722  -2.356
   34    HD2  ARG   7           2HD      ARG   7  -7.635  -3.019  -3.729
   35    HD3  ARG   7           1HD      ARG   7  -6.486  -2.657  -5.032
   36    HE   ARG   7           HE       ARG   7  -6.495  -4.952  -5.600
   37   HH11  ARG   7          1HH2      ARG   7  -7.706  -4.410  -2.412
   38   HH12  ARG   7          2HH2      ARG   7  -8.168  -6.060  -2.168
   39   HH21  ARG   7          1HH1      ARG   7  -7.092  -7.106  -5.292
   40   HH22  ARG   7          2HH1      ARG   7  -7.821  -7.585  -3.796
   41    H    CYS   8           H        CYS   8  -2.425  -0.788  -2.127
   42    HA   CYS   8           HA       CYS   8   0.006  -0.632  -3.885
   43    HB2  CYS   8           2HB      CYS   8  -2.253   0.834  -4.099
   44    HB3  CYS   8           1HB      CYS   8  -1.386   1.815  -2.917
   45    H    ARG   9           H        ARG   9  -0.371  -1.553  -1.043
   46    HA   ARG   9           HA       ARG   9   1.047   0.557   0.513
   47    HB2  ARG   9           2HB      ARG   9   0.540  -1.101   2.383
   48    HB3  ARG   9           1HB      ARG   9  -0.878  -0.443   1.564
   49    HG2  ARG   9           2HG      ARG   9  -1.494  -2.480   0.818
   50    HG3  ARG   9           1HG      ARG   9   0.127  -2.809   0.203
   51    HD2  ARG   9           2HD      ARG   9   0.162  -2.907   3.092
   52    HD3  ARG   9           1HD      ARG   9  -1.087  -3.995   2.452
   53    HE   ARG   9           HE       ARG   9   1.534  -4.038   1.079
   54   HH11  ARG   9          1HH2      ARG   9  -0.662  -5.483   3.342
   55   HH12  ARG   9          2HH2      ARG   9   0.053  -7.052   3.209
   56   HH21  ARG   9          1HH1      ARG   9   2.459  -6.075   0.920
   57   HH22  ARG   9          2HH1      ARG   9   1.814  -7.386   1.851
   58    H    TRP  10           H        TRP  10   2.457  -0.981  -1.621
   59    HA   TRP  10           HA       TRP  10   4.187  -2.868  -0.137
   60    HB2  TRP  10           2HB      TRP  10   4.132  -1.885  -3.009
   61    HB3  TRP  10           1HB      TRP  10   5.174  -3.177  -2.408
   62    HD1  TRP  10           HD       TRP  10   1.383  -2.365  -2.313
   63    HE1  TRP  10           1HE      TRP  10   0.094  -4.568  -2.680
   64    HE3  TRP  10           3HE      TRP  10   5.297  -5.623  -2.689
   65    HZ2  TRP  10           2HZ      TRP  10   0.652  -7.347  -3.083
   66    HZ3  TRP  10           3HZ      TRP  10   4.892  -8.039  -3.067
   67    HH2  TRP  10           HH       TRP  10   2.576  -8.904  -3.265
   68    H    ARG  11           H        ARG  11   4.846  -0.043  -2.261
   69    HA   ARG  11           HA       ARG  11   7.467   0.337  -0.959
   70    HB2  ARG  11           2HB      ARG  11   6.131   2.065  -3.050
   71    HB3  ARG  11           1HB      ARG  11   7.857   1.818  -2.787
   72    HG2  ARG  11           2HG      ARG  11   5.877  -0.246  -3.803
   73    HG3  ARG  11           1HG      ARG  11   7.157   0.528  -4.738
   74    HD2  ARG  11           2HD      ARG  11   8.847  -0.691  -3.674
   75    HD3  ARG  11           1HD      ARG  11   7.866  -0.968  -2.224
   76    HE   ARG  11           HE       ARG  11   6.700  -2.712  -3.363
   77   HH11  ARG  11          1HH2      ARG  11   8.841  -0.962  -5.450
   78   HH12  ARG  11          2HH2      ARG  11   8.772  -2.143  -6.710
   79   HH21  ARG  11          1HH1      ARG  11   6.607  -4.242  -5.010
   80   HH22  ARG  11          2HH1      ARG  11   7.511  -3.992  -6.466
   81    H    CYS  12           H        CYS  12   4.935   0.843   0.588
   82    HA   CYS  12           HA       CYS  12   5.063   3.799   0.971
   83    HB2  CYS  12           2HB      CYS  12   2.900   2.526   0.621
   84    HB3  CYS  12           1HB      CYS  12   3.190   1.742   2.178
   85    H    ARG  13           H        ARG  13   6.739   1.232   2.091
   86    HA   ARG  13           HA       ARG  13   6.585   1.360   4.934
   87    HB2  ARG  13           2HB      ARG  13   8.279   0.278   2.823
   88    HB3  ARG  13           1HB      ARG  13   9.231   0.784   4.224
   89    HG2  ARG  13           2HG      ARG  13   7.705  -0.523   5.695
   90    HG3  ARG  13           1HG      ARG  13   6.842  -1.085   4.262
   91    HD2  ARG  13           2HD      ARG  13   9.562  -1.578   3.714
   92    HD3  ARG  13           1HD      ARG  13   9.312  -2.100   5.391
   93    HE   ARG  13           HE       ARG  13   8.122  -3.337   3.049
   94   HH11  ARG  13          1HH2      ARG  13   7.673  -2.508   6.372
   95   HH12  ARG  13          2HH2      ARG  13   6.551  -3.791   6.674
   96   HH21  ARG  13          1HH1      ARG  13   6.661  -5.014   3.432
   97   HH22  ARG  13          2HH1      ARG  13   5.978  -5.208   5.011
  Start of MODEL   10
    1    H1   GLY   1           H1       GLY   1  -4.470   9.427  -1.068
    2    HA2  GLY   1           2HA      GLY   1  -3.293   8.419  -3.109
    3    HA3  GLY   1           1HA      GLY   1  -2.287   8.387  -1.660
    4    H    CYS   2           H        CYS   2  -1.305   6.482  -2.827
    5    HA   CYS   2           HA       CYS   2  -2.892   4.030  -3.037
    6    HB2  CYS   2           2HB      CYS   2  -0.198   5.050  -3.662
    7    HB3  CYS   2           1HB      CYS   2  -0.226   3.346  -3.195
    8    H    CYS   3           H        CYS   3  -1.501   5.676  -0.449
    9    HA   CYS   3           HA       CYS   3  -0.652   3.280   1.059
   10    HB2  CYS   3           2HB      CYS   3   0.037   5.961   0.989
   11    HB3  CYS   3           1HB      CYS   3  -0.934   5.850   2.458
   12    H    SER   4           H        SER   4  -3.502   3.552   0.219
   13    HA   SER   4           HA       SER   4  -4.842   3.933   2.868
   14    HB2  SER   4           2HB      SER   4  -5.384   4.826   0.285
   15    HB3  SER   4           1HB      SER   4  -6.516   3.495   0.508
   16    HG   SER   4           HG       SER   4  -7.571   4.665   1.897
   17    H    ASP   5           H        ASP   5  -4.687   1.681   0.087
   18    HA   ASP   5           HA       ASP   5  -5.794  -0.437   1.894
   19    HB2  ASP   5           2HB      ASP   5  -6.181  -1.460  -0.562
   20    HB3  ASP   5           1HB      ASP   5  -7.345  -0.386   0.203
   21    HA   PRO   6           HA       PRO   6  -2.227  -2.888   1.393
   22    HB2  PRO   6           2HB      PRO   6  -3.284  -5.390   1.057
   23    HB3  PRO   6           1HB      PRO   6  -3.330  -4.523   2.607
   24    HG2  PRO   6           2HG      PRO   6  -5.471  -4.872   0.569
   25    HG3  PRO   6           1HG      PRO   6  -5.587  -4.858   2.331
   26    HD2  PRO   6           2HD      PRO   6  -6.269  -2.747   0.761
   27    HD3  PRO   6           1HD      PRO   6  -5.726  -2.595   2.445
   28    H    ARG   7           H        ARG   7  -4.441  -2.591  -1.194
   29    HA   ARG   7           HA       ARG   7  -3.159  -4.377  -3.093
   30    HB2  ARG   7           2HB      ARG   7  -4.917  -1.947  -3.547
   31    HB3  ARG   7           1HB      ARG   7  -4.687  -3.304  -4.651
   32    HG2  ARG   7           2HG      ARG   7  -5.534  -4.114  -1.955
   33    HG3  ARG   7           1HG      ARG   7  -6.717  -3.113  -2.798
   34    HD2  ARG   7           2HD      ARG   7  -5.852  -4.882  -4.772
   35    HD3  ARG   7           1HD      ARG   7  -5.964  -5.890  -3.316
   36    HE   ARG   7           HE       ARG   7  -8.258  -4.358  -3.203
   37   HH11  ARG   7          1HH2      ARG   7  -6.758  -6.371  -5.575
   38   HH12  ARG   7          2HH2      ARG   7  -8.254  -6.843  -6.309
   39   HH21  ARG   7          1HH1      ARG   7 -10.214  -4.966  -4.152
   40   HH22  ARG   7          2HH1      ARG   7 -10.208  -6.048  -5.504
   41    H    CYS   8           H        CYS   8  -2.989  -0.854  -2.480
   42    HA   CYS   8           HA       CYS   8  -0.692  -0.708  -4.398
   43    HB2  CYS   8           2HB      CYS   8  -2.955   0.692  -4.425
   44    HB3  CYS   8           1HB      CYS   8  -2.087   1.679  -3.244
   45    H    ARG   9           H        ARG   9  -0.901  -1.386  -1.302
   46    HA   ARG   9           HA       ARG   9   0.947   0.722  -0.289
   47    HB2  ARG   9           2HB      ARG   9  -1.075  -1.106   0.780
   48    HB3  ARG   9           1HB      ARG   9   0.403  -1.097   1.742
   49    HG2  ARG   9           2HG      ARG   9   0.287   1.266   2.077
   50    HG3  ARG   9           1HG      ARG   9  -0.973   1.446   0.851
   51    HD2  ARG   9           2HD      ARG   9  -1.754   1.477   3.315
   52    HD3  ARG   9           1HD      ARG   9  -2.604   0.355   2.240
   53    HE   ARG   9           HE       ARG   9  -1.544  -1.452   3.346
   54   HH11  ARG   9          1HH2      ARG   9  -0.088   1.586   4.117
   55   HH12  ARG   9          2HH2      ARG   9   0.895   0.937   5.385
   56   HH21  ARG   9          1HH1      ARG   9  -0.264  -2.305   4.997
   57   HH22  ARG   9          2HH1      ARG   9   0.797  -1.261   5.881
   58    H    TRP  10           H        TRP  10   2.545  -0.396  -1.928
   59    HA   TRP  10           HA       TRP  10   3.679  -2.955  -1.013
   60    HB2  TRP  10           2HB      TRP  10   4.130  -0.962  -3.219
   61    HB3  TRP  10           1HB      TRP  10   5.375  -2.168  -2.882
   62    HD1  TRP  10           HD       TRP  10   1.852  -1.781  -4.236
   63    HE1  TRP  10           1HE      TRP  10   1.101  -4.013  -5.284
   64    HE3  TRP  10           3HE      TRP  10   5.694  -4.797  -2.740
   65    HZ2  TRP  10           2HZ      TRP  10   2.008  -6.720  -5.466
   66    HZ3  TRP  10           3HZ      TRP  10   5.724  -7.196  -3.364
   67    HH2  TRP  10           HH       TRP  10   3.888  -8.160  -4.724
   68    H    ARG  11           H        ARG  11   5.341   0.125  -1.732
   69    HA   ARG  11           HA       ARG  11   7.259  -0.405   0.460
   70    HB2  ARG  11           2HB      ARG  11   7.060   1.826  -1.592
   71    HB3  ARG  11           1HB      ARG  11   8.468   1.454  -0.598
   72    HG2  ARG  11           2HG      ARG  11   9.130  -0.180  -2.003
   73    HG3  ARG  11           1HG      ARG  11   7.522  -0.902  -2.020
   74    HD2  ARG  11           2HD      ARG  11   7.303   1.509  -3.492
   75    HD3  ARG  11           1HD      ARG  11   8.776   0.701  -4.063
   76    HE   ARG  11           HE       ARG  11   6.765  -1.279  -3.758
   77   HH11  ARG  11          1HH2      ARG  11   7.514   1.511  -5.651
   78   HH12  ARG  11          2HH2      ARG  11   6.659   0.952  -7.048
   79   HH21  ARG  11          1HH1      ARG  11   5.648  -2.019  -5.574
   80   HH22  ARG  11          2HH1      ARG  11   5.604  -1.045  -7.005
   81    H    CYS  12           H        CYS  12   4.328   0.507   0.843
   82    HA   CYS  12           HA       CYS  12   4.559   3.215   1.946
   83    HB2  CYS  12           2HB      CYS  12   2.537   1.287   1.193
   84    HB3  CYS  12           1HB      CYS  12   2.193   1.923   2.804
   85    H    ARG  13           H        ARG  13   4.400  -0.108   3.207
   86    HA   ARG  13           HA       ARG  13   4.621  -0.912   5.430
   87    HB2  ARG  13           2HB      ARG  13   6.607   1.374   5.221
   88    HB3  ARG  13           1HB      ARG  13   6.632   0.163   6.508
   89    HG2  ARG  13           2HG      ARG  13   6.953  -0.335   3.535
   90    HG3  ARG  13           1HG      ARG  13   8.183  -0.542   4.783
   91    HD2  ARG  13           2HD      ARG  13   6.350  -2.163   5.842
   92    HD3  ARG  13           1HD      ARG  13   5.823  -2.275   4.152
   93    HE   ARG  13           HE       ARG  13   8.718  -2.511   4.481
   94   HH11  ARG  13          1HH2      ARG  13   5.659  -4.117   4.456
   95   HH12  ARG  13          2HH2      ARG  13   6.329  -5.661   4.048
   96   HH21  ARG  13          1HH1      ARG  13   9.600  -4.521   3.949
   97   HH22  ARG  13          2HH1      ARG  13   8.555  -5.889   3.761
  Start of MODEL   11
    1    H1   GLY   1           H1       GLY   1  -0.416   9.818  -3.966
    2    HA2  GLY   1           2HA      GLY   1   0.696   8.167  -2.725
    3    HA3  GLY   1           1HA      GLY   1  -0.222   8.740  -1.332
    4    H    CYS   2           H        CYS   2   0.425   5.949  -2.433
    5    HA   CYS   2           HA       CYS   2  -2.343   4.919  -2.855
    6    HB2  CYS   2           2HB      CYS   2   0.302   4.324  -3.805
    7    HB3  CYS   2           1HB      CYS   2  -0.334   2.896  -2.982
    8    H    CYS   3           H        CYS   3  -1.016   5.804  -0.204
    9    HA   CYS   3           HA       CYS   3  -0.788   3.306   1.328
   10    HB2  CYS   3           2HB      CYS   3  -0.618   6.269   1.844
   11    HB3  CYS   3           1HB      CYS   3  -0.677   5.139   3.196
   12    H    SER   4           H        SER   4  -3.218   2.980   0.364
   13    HA   SER   4           HA       SER   4  -5.075   3.888   2.540
   14    HB2  SER   4           2HB      SER   4  -5.893   5.109   0.770
   15    HB3  SER   4           1HB      SER   4  -5.208   4.016  -0.429
   16    HG   SER   4           HG       SER   4  -7.616   3.855   1.004
   17    H    ASP   5           H        ASP   5  -4.542   1.443  -0.029
   18    HA   ASP   5           HA       ASP   5  -5.946  -0.531   1.739
   19    HB2  ASP   5           2HB      ASP   5  -6.230  -1.610  -0.710
   20    HB3  ASP   5           1HB      ASP   5  -7.383  -0.460  -0.049
   21    HA   PRO   6           HA       PRO   6  -2.488  -3.179   1.458
   22    HB2  PRO   6           2HB      PRO   6  -3.664  -5.637   1.223
   23    HB3  PRO   6           1HB      PRO   6  -3.719  -4.680   2.719
   24    HG2  PRO   6           2HG      PRO   6  -5.813  -5.092   0.658
   25    HG3  PRO   6           1HG      PRO   6  -5.973  -4.882   2.404
   26    HD2  PRO   6           2HD      PRO   6  -6.454  -2.926   0.533
   27    HD3  PRO   6           1HD      PRO   6  -6.101  -2.633   2.248
   28    H    ARG   7           H        ARG   7  -4.249  -2.512  -1.244
   29    HA   ARG   7           HA       ARG   7  -2.911  -4.551  -2.970
   30    HB2  ARG   7           2HB      ARG   7  -4.991  -2.502  -3.759
   31    HB3  ARG   7           1HB      ARG   7  -4.634  -4.046  -4.533
   32    HG2  ARG   7           2HG      ARG   7  -5.283  -5.023  -2.159
   33    HG3  ARG   7           1HG      ARG   7  -6.157  -3.498  -2.010
   34    HD2  ARG   7           2HD      ARG   7  -6.465  -5.415  -4.350
   35    HD3  ARG   7           1HD      ARG   7  -7.586  -5.309  -2.977
   36    HE   ARG   7           HE       ARG   7  -7.018  -2.733  -4.260
   37   HH11  ARG   7          1HH2      ARG   7  -8.987  -5.572  -4.152
   38   HH12  ARG   7          2HH2      ARG   7 -10.357  -4.804  -4.880
   39   HH21  ARG   7          1HH1      ARG   7  -8.800  -1.727  -5.214
   40   HH22  ARG   7          2HH1      ARG   7 -10.252  -2.633  -5.480
   41    H    CYS   8           H        CYS   8  -2.478  -1.376  -1.886
   42    HA   CYS   8           HA       CYS   8  -0.625  -0.821  -4.164
   43    HB2  CYS   8           2HB      CYS   8  -3.076   0.270  -4.087
   44    HB3  CYS   8           1HB      CYS   8  -2.249   1.410  -3.018
   45    H    ARG   9           H        ARG   9  -0.867  -1.287  -0.946
   46    HA   ARG   9           HA       ARG   9   0.733   1.010  -0.015
   47    HB2  ARG   9           2HB      ARG   9   0.417  -0.026   2.148
   48    HB3  ARG   9           1HB      ARG   9  -1.108  -0.167   1.273
   49    HG2  ARG   9           2HG      ARG   9  -0.698  -2.461   0.734
   50    HG3  ARG   9           1HG      ARG   9   0.986  -2.351   1.257
   51    HD2  ARG   9           2HD      ARG   9  -0.523  -3.479   2.943
   52    HD3  ARG   9           1HD      ARG   9   0.282  -2.031   3.582
   53    HE   ARG   9           HE       ARG   9  -2.289  -1.468   2.305
   54   HH11  ARG   9          1HH2      ARG   9  -0.610  -2.369   5.187
   55   HH12  ARG   9          2HH2      ARG   9  -1.847  -1.779   6.245
   56   HH21  ARG   9          1HH1      ARG   9  -3.909  -0.701   3.675
   57   HH22  ARG   9          2HH1      ARG   9  -3.712  -0.838   5.391
   58    H    TRP  10           H        TRP  10   1.766  -1.054  -2.048
   59    HA   TRP  10           HA       TRP  10   3.636  -2.861  -1.130
   60    HB2  TRP  10           2HB      TRP  10   3.551  -0.857  -3.361
   61    HB3  TRP  10           1HB      TRP  10   5.026  -1.798  -3.129
   62    HD1  TRP  10           HD       TRP  10   1.658  -1.982  -4.637
   63    HE1  TRP  10           1HE      TRP  10   1.157  -4.377  -5.450
   64    HE3  TRP  10           3HE      TRP  10   5.486  -4.494  -2.378
   65    HZ2  TRP  10           2HZ      TRP  10   2.239  -7.011  -5.175
   66    HZ3  TRP  10           3HZ      TRP  10   5.727  -6.942  -2.669
   67    HH2  TRP  10           HH       TRP  10   4.108  -8.203  -4.064
   68    H    ARG  11           H        ARG  11   5.005   0.225  -2.166
   69    HA   ARG  11           HA       ARG  11   7.223   0.145  -0.383
   70    HB2  ARG  11           2HB      ARG  11   7.581   2.404  -1.194
   71    HB3  ARG  11           1HB      ARG  11   6.919   1.452  -2.524
   72    HG2  ARG  11           2HG      ARG  11   4.682   2.437  -1.129
   73    HG3  ARG  11           1HG      ARG  11   5.805   3.795  -1.233
   74    HD2  ARG  11           2HD      ARG  11   4.895   4.067  -3.320
   75    HD3  ARG  11           1HD      ARG  11   5.984   2.739  -3.767
   76    HE   ARG  11           HE       ARG  11   3.734   1.495  -2.678
   77   HH11  ARG  11          1HH2      ARG  11   4.447   3.687  -5.249
   78   HH12  ARG  11          2HH2      ARG  11   3.143   3.143  -6.249
   79   HH21  ARG  11          1HH1      ARG  11   2.027   0.776  -3.976
   80   HH22  ARG  11          2HH1      ARG  11   1.774   1.497  -5.530
   81    H    CYS  12           H        CYS  12   3.932   1.170   0.118
   82    HA   CYS  12           HA       CYS  12   4.304   3.030   2.259
   83    HB2  CYS  12           2HB      CYS  12   2.250   2.426   0.822
   84    HB3  CYS  12           1HB      CYS  12   2.008   1.089   1.951
   85    H    ARG  13           H        ARG  13   6.162   1.636   3.252
   86    HA   ARG  13           HA       ARG  13   5.656  -0.786   4.667
   87    HB2  ARG  13           2HB      ARG  13   7.717  -0.178   5.848
   88    HB3  ARG  13           1HB      ARG  13   7.868   0.254   4.142
   89    HG2  ARG  13           2HG      ARG  13   7.850   2.504   4.570
   90    HG3  ARG  13           1HG      ARG  13   6.734   2.342   5.927
   91    HD2  ARG  13           2HD      ARG  13   8.911   1.045   6.937
   92    HD3  ARG  13           1HD      ARG  13   9.695   2.268   5.917
   93    HE   ARG  13           HE       ARG  13   7.546   3.500   7.343
   94   HH11  ARG  13          1HH2      ARG  13  10.669   2.097   7.804
   95   HH12  ARG  13          2HH2      ARG  13  11.054   3.090   9.170
   96   HH21  ARG  13          1HH1      ARG  13   8.038   4.797   9.121
   97   HH22  ARG  13          2HH1      ARG  13   9.567   4.615   9.916
  Start of MODEL   12
    1    H1   GLY   1           H1       GLY   1   1.008   7.862  -0.813
    2    HA2  GLY   1           2HA      GLY   1   0.490   8.620  -3.654
    3    HA3  GLY   1           1HA      GLY   1   1.676   7.422  -3.136
    4    H    CYS   2           H        CYS   2   0.595   5.554  -1.792
    5    HA   CYS   2           HA       CYS   2  -2.136   4.904  -2.771
    6    HB2  CYS   2           2HB      CYS   2   0.182   4.103  -4.096
    7    HB3  CYS   2           1HB      CYS   2  -0.254   2.692  -3.126
    8    H    CYS   3           H        CYS   3  -0.301   5.222  -0.180
    9    HA   CYS   3           HA       CYS   3  -0.543   2.627   1.136
   10    HB2  CYS   3           2HB      CYS   3  -0.116   5.396   2.302
   11    HB3  CYS   3           1HB      CYS   3   0.347   3.860   3.031
   12    H    SER   4           H        SER   4  -3.039   2.913   0.266
   13    HA   SER   4           HA       SER   4  -4.589   3.878   2.646
   14    HB2  SER   4           2HB      SER   4  -5.716   3.924  -0.128
   15    HB3  SER   4           1HB      SER   4  -6.048   4.999   1.227
   16    HG   SER   4           HG       SER   4  -4.720   6.232   0.114
   17    H    ASP   5           H        ASP   5  -4.202   1.466   0.100
   18    HA   ASP   5           HA       ASP   5  -6.313  -0.172   1.462
   19    HB2  ASP   5           2HB      ASP   5  -6.354  -1.160  -1.038
   20    HB3  ASP   5           1HB      ASP   5  -7.347   0.207  -0.551
   21    HA   PRO   6           HA       PRO   6  -3.426  -3.444   1.646
   22    HB2  PRO   6           2HB      PRO   6  -5.029  -5.619   1.247
   23    HB3  PRO   6           1HB      PRO   6  -5.104  -4.623   2.715
   24    HG2  PRO   6           2HG      PRO   6  -6.950  -4.725   0.411
   25    HG3  PRO   6           1HG      PRO   6  -7.273  -4.325   2.099
   26    HD2  PRO   6           2HD      PRO   6  -7.012  -2.515  -0.004
   27    HD3  PRO   6           1HD      PRO   6  -7.007  -2.127   1.728
   28    H    ARG   7           H        ARG   7  -4.492  -2.465  -1.274
   29    HA   ARG   7           HA       ARG   7  -3.127  -4.715  -2.717
   30    HB2  ARG   7           2HB      ARG   7  -4.714  -3.931  -4.612
   31    HB3  ARG   7           1HB      ARG   7  -5.431  -4.822  -3.269
   32    HG2  ARG   7           2HG      ARG   7  -6.094  -2.714  -2.200
   33    HG3  ARG   7           1HG      ARG   7  -5.345  -1.799  -3.509
   34    HD2  ARG   7           2HD      ARG   7  -7.596  -3.804  -3.911
   35    HD3  ARG   7           1HD      ARG   7  -7.823  -2.045  -3.817
   36    HE   ARG   7           HE       ARG   7  -5.776  -2.466  -5.702
   37   HH11  ARG   7          1HH2      ARG   7  -9.102  -3.285  -5.241
   38   HH12  ARG   7          2HH2      ARG   7  -9.457  -3.332  -6.935
   39   HH21  ARG   7          1HH1      ARG   7  -6.232  -2.526  -7.913
   40   HH22  ARG   7          2HH1      ARG   7  -7.836  -2.904  -8.445
   41    H    CYS   8           H        CYS   8  -2.499  -1.735  -1.694
   42    HA   CYS   8           HA       CYS   8  -0.881  -1.090  -4.107
   43    HB2  CYS   8           2HB      CYS   8  -3.311   0.029  -3.803
   44    HB3  CYS   8           1HB      CYS   8  -2.368   1.147  -2.810
   45    H    ARG   9           H        ARG   9  -0.824  -1.668  -0.907
   46    HA   ARG   9           HA       ARG   9   0.747   0.620   0.028
   47    HB2  ARG   9           2HB      ARG   9  -0.438  -1.859   1.059
   48    HB3  ARG   9           1HB      ARG   9   1.126  -1.485   1.788
   49    HG2  ARG   9           2HG      ARG   9   0.306   0.853   2.191
   50    HG3  ARG   9           1HG      ARG   9  -1.284   0.335   1.630
   51    HD2  ARG   9           2HD      ARG   9   0.231  -0.695   4.057
   52    HD3  ARG   9           1HD      ARG   9  -1.320   0.165   4.042
   53    HE   ARG   9           HE       ARG   9  -1.728  -2.045   2.394
   54   HH11  ARG   9          1HH2      ARG   9  -0.689  -1.458   5.636
   55   HH12  ARG   9          2HH2      ARG   9  -1.320  -2.949   6.247
   56   HH21  ARG   9          1HH1      ARG   9  -2.557  -3.998   3.189
   57   HH22  ARG   9          2HH1      ARG   9  -2.375  -4.382   4.867
   58    H    TRP  10           H        TRP  10   2.167   0.221  -2.019
   59    HA   TRP  10           HA       TRP  10   4.046  -1.971  -2.051
   60    HB2  TRP  10           2HB      TRP  10   3.820   0.762  -3.308
   61    HB3  TRP  10           1HB      TRP  10   5.251  -0.239  -3.585
   62    HD1  TRP  10           HD       TRP  10   1.568  -1.368  -3.334
   63    HE1  TRP  10           1HE      TRP  10   0.958  -2.621  -5.504
   64    HE3  TRP  10           3HE      TRP  10   5.897  -0.732  -5.966
   65    HZ2  TRP  10           2HZ      TRP  10   2.149  -3.265  -8.024
   66    HZ3  TRP  10           3HZ      TRP  10   6.132  -1.673  -8.246
   67    HH2  TRP  10           HH       TRP  10   4.266  -2.937  -9.277
   68    H    ARG  11           H        ARG  11   5.037   1.430  -1.732
   69    HA   ARG  11           HA       ARG  11   7.240   0.631   0.057
   70    HB2  ARG  11           2HB      ARG  11   6.350   3.294  -1.102
   71    HB3  ARG  11           1HB      ARG  11   7.886   3.005  -0.283
   72    HG2  ARG  11           2HG      ARG  11   8.779   1.882  -2.065
   73    HG3  ARG  11           1HG      ARG  11   7.236   1.151  -2.509
   74    HD2  ARG  11           2HD      ARG  11   7.570   4.118  -2.856
   75    HD3  ARG  11           1HD      ARG  11   8.275   3.022  -4.060
   76    HE   ARG  11           HE       ARG  11   5.602   2.184  -3.434
   77   HH11  ARG  11          1HH2      ARG  11   7.417   4.626  -5.070
   78   HH12  ARG  11          2HH2      ARG  11   6.183   4.937  -6.244
   79   HH21  ARG  11          1HH1      ARG  11   3.989   2.580  -4.961
   80   HH22  ARG  11          2HH1      ARG  11   4.244   3.780  -6.184
   81    H    CYS  12           H        CYS  12   4.260   0.687   0.897
   82    HA   CYS  12           HA       CYS  12   4.320   2.759   3.027
   83    HB2  CYS  12           2HB      CYS  12   2.154   0.741   2.402
   84    HB3  CYS  12           1HB      CYS  12   1.978   2.315   3.182
   85    H    ARG  13           H        ARG  13   5.910   0.073   2.907
   86    HA   ARG  13           HA       ARG  13   6.602  -1.541   4.489
   87    HB2  ARG  13           2HB      ARG  13   5.057   0.308   6.338
   88    HB3  ARG  13           1HB      ARG  13   6.326  -0.826   6.815
   89    HG2  ARG  13           2HG      ARG  13   7.158   0.986   4.664
   90    HG3  ARG  13           1HG      ARG  13   6.725   1.832   6.150
   91    HD2  ARG  13           2HD      ARG  13   8.206   0.108   7.371
   92    HD3  ARG  13           1HD      ARG  13   8.844  -0.292   5.764
   93    HE   ARG  13           HE       ARG  13   9.933   1.806   5.740
   94   HH11  ARG  13          1HH2      ARG  13   7.394   1.702   8.078
   95   HH12  ARG  13          2HH2      ARG  13   7.758   3.265   8.730
   96   HH21  ARG  13          1HH1      ARG  13  10.417   3.842   6.584
   97   HH22  ARG  13          2HH1      ARG  13   9.466   4.474   7.887
  Start of MODEL   13
    1    H1   GLY   1           H1       GLY   1   0.518   9.723  -3.296
    2    HA2  GLY   1           2HA      GLY   1   1.299   7.754  -1.937
    3    HA3  GLY   1           1HA      GLY   1  -0.084   8.519  -1.152
    4    H    CYS   2           H        CYS   2   1.081   5.591  -2.120
    5    HA   CYS   2           HA       CYS   2  -1.534   4.445  -2.911
    6    HB2  CYS   2           2HB      CYS   2   0.983   4.018  -3.755
    7    HB3  CYS   2           1HB      CYS   2   0.945   2.832  -2.449
    8    H    CYS   3           H        CYS   3  -0.723   5.469  -0.099
    9    HA   CYS   3           HA       CYS   3  -0.785   2.991   1.512
   10    HB2  CYS   3           2HB      CYS   3  -0.001   5.766   1.769
   11    HB3  CYS   3           1HB      CYS   3  -1.058   5.310   3.104
   12    H    SER   4           H        SER   4  -3.079   2.789   0.235
   13    HA   SER   4           HA       SER   4  -5.158   3.914   2.086
   14    HB2  SER   4           2HB      SER   4  -4.819   4.615  -0.493
   15    HB3  SER   4           1HB      SER   4  -5.814   3.182  -0.730
   16    HG   SER   4           HG       SER   4  -6.548   5.037   1.236
   17    H    ASP   5           H        ASP   5  -4.684   1.329  -0.365
   18    HA   ASP   5           HA       ASP   5  -6.219  -0.505   1.445
   19    HB2  ASP   5           2HB      ASP   5  -6.403  -1.698  -0.966
   20    HB3  ASP   5           1HB      ASP   5  -7.541  -0.465  -0.441
   21    HA   PRO   6           HA       PRO   6  -2.915  -3.352   1.632
   22    HB2  PRO   6           2HB      PRO   6  -4.054  -5.745   0.905
   23    HB3  PRO   6           1HB      PRO   6  -4.361  -4.952   2.467
   24    HG2  PRO   6           2HG      PRO   6  -6.012  -4.914  -0.025
   25    HG3  PRO   6           1HG      PRO   6  -6.526  -5.119   1.657
   26    HD2  PRO   6           2HD      PRO   6  -6.781  -2.776   0.403
   27    HD3  PRO   6           1HD      PRO   6  -6.368  -2.865   2.128
   28    H    ARG   7           H        ARG   7  -4.613  -3.013  -1.381
   29    HA   ARG   7           HA       ARG   7  -2.504  -4.449  -2.909
   30    HB2  ARG   7           2HB      ARG   7  -4.958  -2.968  -3.890
   31    HB3  ARG   7           1HB      ARG   7  -4.063  -4.235  -4.732
   32    HG2  ARG   7           2HG      ARG   7  -4.664  -5.732  -2.710
   33    HG3  ARG   7           1HG      ARG   7  -5.857  -4.494  -2.320
   34    HD2  ARG   7           2HD      ARG   7  -5.936  -5.241  -5.156
   35    HD3  ARG   7           1HD      ARG   7  -6.266  -6.609  -4.077
   36    HE   ARG   7           HE       ARG   7  -8.211  -5.489  -3.297
   37   HH11  ARG   7          1HH2      ARG   7  -6.184  -3.433  -5.202
   38   HH12  ARG   7          2HH2      ARG   7  -7.330  -2.139  -5.251
   39   HH21  ARG   7          1HH1      ARG   7  -9.710  -3.807  -3.368
   40   HH22  ARG   7          2HH1      ARG   7  -9.321  -2.349  -4.218
   41    H    CYS   8           H        CYS   8  -2.676  -1.534  -1.502
   42    HA   CYS   8           HA       CYS   8  -1.346  -0.099  -3.781
   43    HB2  CYS   8           2HB      CYS   8  -3.714   0.521  -2.698
   44    HB3  CYS   8           1HB      CYS   8  -2.687   1.313  -1.506
   45    H    ARG   9           H        ARG   9  -1.343  -0.880  -0.350
   46    HA   ARG   9           HA       ARG   9   0.826   0.879   0.405
   47    HB2  ARG   9           2HB      ARG   9  -0.728  -1.401   1.541
   48    HB3  ARG   9           1HB      ARG   9   0.806  -0.996   2.316
   49    HG2  ARG   9           2HG      ARG   9   0.093   1.319   2.609
   50    HG3  ARG   9           1HG      ARG   9  -1.409   0.991   1.739
   51    HD2  ARG   9           2HD      ARG   9  -0.826  -0.781   4.066
   52    HD3  ARG   9           1HD      ARG   9  -1.275   0.897   4.434
   53    HE   ARG   9           HE       ARG   9  -3.005  -0.179   2.395
   54   HH11  ARG   9          1HH2      ARG   9  -2.298  -0.232   5.775
   55   HH12  ARG   9          2HH2      ARG   9  -3.916  -0.641   6.238
   56   HH21  ARG   9          1HH1      ARG   9  -5.118  -0.712   2.988
   57   HH22  ARG   9          2HH1      ARG   9  -5.510  -0.911   4.664
   58    H    TRP  10           H        TRP  10   2.068   0.096  -1.665
   59    HA   TRP  10           HA       TRP  10   3.515  -2.462  -1.313
   60    HB2  TRP  10           2HB      TRP  10   3.155  -0.343  -3.389
   61    HB3  TRP  10           1HB      TRP  10   4.643  -1.292  -3.457
   62    HD1  TRP  10           HD       TRP  10   0.847  -1.632  -3.724
   63    HE1  TRP  10           1HE      TRP  10   0.295  -3.907  -4.806
   64    HE3  TRP  10           3HE      TRP  10   5.513  -3.703  -3.857
   65    HZ2  TRP  10           2HZ      TRP  10   1.654  -6.289  -5.622
   66    HZ3  TRP  10           3HZ      TRP  10   5.856  -5.973  -4.793
   67    HH2  TRP  10           HH       TRP  10   3.934  -7.267  -5.675
   68    H    ARG  11           H        ARG  11   4.773   0.761  -2.189
   69    HA   ARG  11           HA       ARG  11   7.198   0.245  -0.571
   70    HB2  ARG  11           2HB      ARG  11   6.285   2.320  -2.573
   71    HB3  ARG  11           1HB      ARG  11   7.802   2.490  -1.690
   72    HG2  ARG  11           2HG      ARG  11   8.829   0.900  -2.931
   73    HG3  ARG  11           1HG      ARG  11   7.439  -0.181  -2.843
   74    HD2  ARG  11           2HD      ARG  11   7.329   2.279  -4.587
   75    HD3  ARG  11           1HD      ARG  11   8.079   0.784  -5.179
   76    HE   ARG  11           HE       ARG  11   5.468   0.384  -3.913
   77   HH11  ARG  11          1HH2      ARG  11   7.236   1.060  -6.806
   78   HH12  ARG  11          2HH2      ARG  11   5.991   0.471  -7.854
   79   HH21  ARG  11          1HH1      ARG  11   3.842  -0.384  -5.273
   80   HH22  ARG  11          2HH1      ARG  11   4.072  -0.345  -6.989
   81    H    CYS  12           H        CYS  12   4.472   0.863   0.654
   82    HA   CYS  12           HA       CYS  12   4.604   3.547   1.747
   83    HB2  CYS  12           2HB      CYS  12   2.981   1.084   1.962
   84    HB3  CYS  12           1HB      CYS  12   2.995   2.085   3.418
   85    H    ARG  13           H        ARG  13   6.469   0.810   2.336
   86    HA   ARG  13           HA       ARG  13   7.758   1.975   4.655
   87    HB2  ARG  13           2HB      ARG  13   5.555   1.125   5.549
   88    HB3  ARG  13           1HB      ARG  13   6.062  -0.505   5.089
   89    HG2  ARG  13           2HG      ARG  13   7.782  -0.560   6.677
   90    HG3  ARG  13           1HG      ARG  13   7.852   1.199   6.805
   91    HD2  ARG  13           2HD      ARG  13   5.239   0.014   7.547
   92    HD3  ARG  13           1HD      ARG  13   6.585  -0.379   8.637
   93    HE   ARG  13           HE       ARG  13   5.410   2.250   8.305
   94   HH11  ARG  13          1HH2      ARG  13   8.341   0.501   8.831
   95   HH12  ARG  13          2HH2      ARG  13   9.122   1.805   9.659
   96   HH21  ARG  13          1HH1      ARG  13   6.418   3.956   9.386
   97   HH22  ARG  13          2HH1      ARG  13   8.035   3.758   9.976
  Start of MODEL   14
    1    H1   GLY   1           H1       GLY   1  -5.974   6.730  -2.570
    2    HA2  GLY   1           2HA      GLY   1  -3.535   7.644  -3.826
    3    HA3  GLY   1           1HA      GLY   1  -3.428   7.774  -2.072
    4    H    CYS   2           H        CYS   2  -1.647   6.089  -2.943
    5    HA   CYS   2           HA       CYS   2  -2.795   3.346  -3.082
    6    HB2  CYS   2           2HB      CYS   2  -0.235   4.738  -3.744
    7    HB3  CYS   2           1HB      CYS   2  -0.145   3.016  -3.350
    8    H    CYS   3           H        CYS   3  -1.141   5.509  -0.899
    9    HA   CYS   3           HA       CYS   3  -0.250   3.378   0.927
   10    HB2  CYS   3           2HB      CYS   3   0.541   5.926   0.350
   11    HB3  CYS   3           1HB      CYS   3  -0.409   6.204   1.808
   12    H    SER   4           H        SER   4  -2.805   2.791   0.736
   13    HA   SER   4           HA       SER   4  -3.956   3.537   3.343
   14    HB2  SER   4           2HB      SER   4  -4.542   5.348   1.668
   15    HB3  SER   4           1HB      SER   4  -5.434   4.128   0.763
   16    HG   SER   4           HG       SER   4  -6.062   5.422   3.102
   17    H    ASP   5           H        ASP   5  -4.254   1.785   0.273
   18    HA   ASP   5           HA       ASP   5  -6.073  -0.179   1.603
   19    HB2  ASP   5           2HB      ASP   5  -6.098  -0.945  -0.965
   20    HB3  ASP   5           1HB      ASP   5  -7.116   0.363  -0.380
   21    HA   PRO   6           HA       PRO   6  -2.988  -3.287   1.350
   22    HB2  PRO   6           2HB      PRO   6  -4.536  -5.506   0.941
   23    HB3  PRO   6           1HB      PRO   6  -4.546  -4.585   2.458
   24    HG2  PRO   6           2HG      PRO   6  -6.595  -4.760   0.384
   25    HG3  PRO   6           1HG      PRO   6  -6.730  -4.204   2.055
   26    HD2  PRO   6           2HD      PRO   6  -6.525  -2.629  -0.338
   27    HD3  PRO   6           1HD      PRO   6  -6.754  -2.079   1.336
   28    H    ARG   7           H        ARG   7  -4.363  -2.262  -1.455
   29    HA   ARG   7           HA       ARG   7  -3.156  -4.435  -3.128
   30    HB2  ARG   7           2HB      ARG   7  -5.158  -2.252  -3.794
   31    HB3  ARG   7           1HB      ARG   7  -4.668  -3.565  -4.865
   32    HG2  ARG   7           2HG      ARG   7  -5.550  -5.211  -3.252
   33    HG3  ARG   7           1HG      ARG   7  -6.047  -3.898  -2.185
   34    HD2  ARG   7           2HD      ARG   7  -7.015  -3.582  -4.951
   35    HD3  ARG   7           1HD      ARG   7  -7.664  -5.010  -4.119
   36    HE   ARG   7           HE       ARG   7  -7.848  -3.062  -2.190
   37   HH11  ARG   7          1HH2      ARG   7  -8.786  -3.274  -5.507
   38   HH12  ARG   7          2HH2      ARG   7 -10.139  -2.208  -5.325
   39   HH21  ARG   7          1HH1      ARG   7  -9.606  -1.672  -1.942
   40   HH22  ARG   7          2HH1      ARG   7 -10.605  -1.306  -3.308
   41    H    CYS   8           H        CYS   8  -2.645  -1.215  -2.075
   42    HA   CYS   8           HA       CYS   8  -0.593  -0.852  -4.225
   43    HB2  CYS   8           2HB      CYS   8  -2.989   0.437  -4.206
   44    HB3  CYS   8           1HB      CYS   8  -2.021   1.554  -3.239
   45    H    ARG   9           H        ARG   9  -0.677  -1.553  -1.208
   46    HA   ARG   9           HA       ARG   9   0.833   0.749  -0.081
   47    HB2  ARG   9           2HB      ARG   9   0.527  -0.514   2.022
   48    HB3  ARG   9           1HB      ARG   9  -1.011  -0.332   1.175
   49    HG2  ARG   9           2HG      ARG   9  -1.067  -2.566   0.511
   50    HG3  ARG   9           1HG      ARG   9   0.685  -2.754   0.648
   51    HD2  ARG   9           2HD      ARG   9   0.557  -2.711   3.080
   52    HD3  ARG   9           1HD      ARG   9  -1.181  -2.358   3.014
   53    HE   ARG   9           HE       ARG   9  -0.714  -4.684   1.454
   54   HH11  ARG   9          1HH2      ARG   9  -0.564  -3.572   4.721
   55   HH12  ARG   9          2HH2      ARG   9  -0.891  -5.132   5.400
   56   HH21  ARG   9          1HH1      ARG   9  -1.141  -6.720   2.330
   57   HH22  ARG   9          2HH1      ARG   9  -1.218  -6.911   4.049
   58    H    TRP  10           H        TRP  10   2.298  -0.419  -2.105
   59    HA   TRP  10           HA       TRP  10   3.949  -2.639  -1.389
   60    HB2  TRP  10           2HB      TRP  10   4.185  -0.260  -3.229
   61    HB3  TRP  10           1HB      TRP  10   5.491  -1.439  -3.099
   62    HD1  TRP  10           HD       TRP  10   1.761  -1.230  -4.023
   63    HE1  TRP  10           1HE      TRP  10   1.206  -3.198  -5.592
   64    HE3  TRP  10           3HE      TRP  10   6.219  -3.719  -3.930
   65    HZ2  TRP  10           2HZ      TRP  10   2.483  -5.524  -6.665
   66    HZ3  TRP  10           3HZ      TRP  10   6.523  -5.805  -5.233
   67    HH2  TRP  10           HH       TRP  10   4.661  -6.709  -6.599
   68    H    ARG  11           H        ARG  11   4.946   0.791  -1.483
   69    HA   ARG  11           HA       ARG  11   7.148   0.260   0.393
   70    HB2  ARG  11           2HB      ARG  11   6.254   2.276  -1.536
   71    HB3  ARG  11           1HB      ARG  11   6.938   2.992  -0.079
   72    HG2  ARG  11           2HG      ARG  11   8.589   2.482  -1.959
   73    HG3  ARG  11           1HG      ARG  11   9.013   1.850  -0.369
   74    HD2  ARG  11           2HD      ARG  11   9.348   0.161  -2.175
   75    HD3  ARG  11           1HD      ARG  11   8.115  -0.371  -1.018
   76    HE   ARG  11           HE       ARG  11   6.584   0.961  -2.817
   77   HH11  ARG  11          1HH2      ARG  11   9.125  -1.359  -3.169
   78   HH12  ARG  11          2HH2      ARG  11   8.546  -1.949  -4.689
   79   HH21  ARG  11          1HH1      ARG  11   5.824   0.191  -4.797
   80   HH22  ARG  11          2HH1      ARG  11   6.683  -1.074  -5.609
   81    H    CYS  12           H        CYS  12   3.935   0.638   0.898
   82    HA   CYS  12           HA       CYS  12   4.129   2.557   3.155
   83    HB2  CYS  12           2HB      CYS  12   1.876   1.031   1.814
   84    HB3  CYS  12           1HB      CYS  12   1.633   2.142   3.167
   85    H    ARG  13           H        ARG  13   2.679  -0.691   2.726
   86    HA   ARG  13           HA       ARG  13   2.219  -2.314   4.427
   87    HB2  ARG  13           2HB      ARG  13   4.476  -3.259   5.085
   88    HB3  ARG  13           1HB      ARG  13   4.270  -2.993   3.351
   89    HG2  ARG  13           2HG      ARG  13   5.606  -1.033   3.383
   90    HG3  ARG  13           1HG      ARG  13   5.513  -0.900   5.139
   91    HD2  ARG  13           2HD      ARG  13   7.717  -1.837   4.164
   92    HD3  ARG  13           1HD      ARG  13   6.958  -2.784   5.455
   93    HE   ARG  13           HE       ARG  13   6.353  -4.432   3.851
   94   HH11  ARG  13          1HH2      ARG  13   7.441  -1.502   2.377
   95   HH12  ARG  13          2HH2      ARG  13   7.571  -2.196   0.797
   96   HH21  ARG  13          1HH1      ARG  13   6.521  -5.343   1.796
   97   HH22  ARG  13          2HH1      ARG  13   7.050  -4.366   0.468
  Start of MODEL   15
    1    H1   GLY   1           H1       GLY   1   1.188   9.106  -0.178
    2    HA2  GLY   1           2HA      GLY   1  -0.228   9.266  -2.213
    3    HA3  GLY   1           1HA      GLY   1   1.137   8.209  -2.582
    4    H    CYS   2           H        CYS   2   0.709   5.827  -1.817
    5    HA   CYS   2           HA       CYS   2  -2.062   5.088  -2.705
    6    HB2  CYS   2           2HB      CYS   2   0.444   4.483  -3.743
    7    HB3  CYS   2           1HB      CYS   2   0.039   3.041  -2.806
    8    H    CYS   3           H        CYS   3  -0.314   5.385   0.049
    9    HA   CYS   3           HA       CYS   3  -0.618   2.835   1.361
   10    HB2  CYS   3           2HB      CYS   3   0.610   5.260   1.814
   11    HB3  CYS   3           1HB      CYS   3  -0.694   5.277   3.001
   12    H    SER   4           H        SER   4  -3.043   2.980   0.238
   13    HA   SER   4           HA       SER   4  -4.878   3.914   2.424
   14    HB2  SER   4           2HB      SER   4  -5.748   5.186   0.770
   15    HB3  SER   4           1HB      SER   4  -4.738   4.395  -0.436
   16    HG   SER   4           HG       SER   4  -7.320   4.139  -0.110
   17    H    ASP   5           H        ASP   5  -4.517   1.502  -0.209
   18    HA   ASP   5           HA       ASP   5  -6.275  -0.329   1.389
   19    HB2  ASP   5           2HB      ASP   5  -6.338  -1.397  -1.080
   20    HB3  ASP   5           1HB      ASP   5  -7.441  -0.123  -0.580
   21    HA   PRO   6           HA       PRO   6  -3.105  -3.320   1.545
   22    HB2  PRO   6           2HB      PRO   6  -4.482  -5.648   1.160
   23    HB3  PRO   6           1HB      PRO   6  -4.635  -4.670   2.634
   24    HG2  PRO   6           2HG      PRO   6  -6.477  -4.913   0.328
   25    HG3  PRO   6           1HG      PRO   6  -6.836  -4.632   2.033
   26    HD2  PRO   6           2HD      PRO   6  -6.845  -2.703   0.062
   27    HD3  PRO   6           1HD      PRO   6  -6.739  -2.394   1.806
   28    H    ARG   7           H        ARG   7  -4.341  -2.472  -1.364
   29    HA   ARG   7           HA       ARG   7  -2.934  -4.655  -2.858
   30    HB2  ARG   7           2HB      ARG   7  -4.472  -4.196  -4.628
   31    HB3  ARG   7           1HB      ARG   7  -5.434  -4.146  -3.151
   32    HG2  ARG   7           2HG      ARG   7  -4.822  -1.594  -3.165
   33    HG3  ARG   7           1HG      ARG   7  -4.506  -1.871  -4.878
   34    HD2  ARG   7           2HD      ARG   7  -6.975  -3.157  -4.296
   35    HD3  ARG   7           1HD      ARG   7  -7.050  -1.534  -3.582
   36    HE   ARG   7           HE       ARG   7  -5.861  -1.180  -6.090
   37   HH11  ARG   7          1HH2      ARG   7  -8.804  -2.460  -4.812
   38   HH12  ARG   7          2HH2      ARG   7  -9.746  -2.023  -6.197
   39   HH21  ARG   7          1HH1      ARG   7  -7.079  -0.610  -7.903
   40   HH22  ARG   7          2HH1      ARG   7  -8.771  -0.981  -7.947
   41    H    CYS   8           H        CYS   8  -2.458  -1.496  -1.822
   42    HA   CYS   8           HA       CYS   8  -0.464  -1.046  -3.998
   43    HB2  CYS   8           2HB      CYS   8  -2.788   0.064  -4.321
   44    HB3  CYS   8           1HB      CYS   8  -2.291   1.144  -3.016
   45    H    ARG   9           H        ARG   9  -0.823  -1.442  -0.810
   46    HA   ARG   9           HA       ARG   9   0.719   0.902   0.123
   47    HB2  ARG   9           2HB      ARG   9   0.235   0.045   2.283
   48    HB3  ARG   9           1HB      ARG   9  -1.195  -0.346   1.329
   49    HG2  ARG   9           2HG      ARG   9  -0.145  -2.616   0.882
   50    HG3  ARG   9           1HG      ARG   9   1.073  -2.204   2.094
   51    HD2  ARG   9           2HD      ARG   9  -1.472  -1.608   3.239
   52    HD3  ARG   9           1HD      ARG   9  -1.571  -3.229   2.533
   53    HE   ARG   9           HE       ARG   9   0.084  -3.962   4.057
   54   HH11  ARG   9          1HH2      ARG   9  -0.185  -0.517   3.979
   55   HH12  ARG   9          2HH2      ARG   9   0.849  -0.280   5.345
   56   HH21  ARG   9          1HH1      ARG   9   1.421  -3.658   5.847
   57   HH22  ARG   9          2HH1      ARG   9   1.750  -2.051   6.404
   58    H    TRP  10           H        TRP  10   1.974  -0.890  -1.848
   59    HA   TRP  10           HA       TRP  10   3.843  -2.685  -0.602
   60    HB2  TRP  10           2HB      TRP  10   3.668  -1.211  -3.233
   61    HB3  TRP  10           1HB      TRP  10   4.999  -2.317  -2.874
   62    HD1  TRP  10           HD       TRP  10   1.165  -2.549  -2.325
   63    HE1  TRP  10           1HE      TRP  10   0.370  -4.830  -3.226
   64    HE3  TRP  10           3HE      TRP  10   5.599  -4.408  -4.043
   65    HZ2  TRP  10           2HZ      TRP  10   1.473  -7.140  -4.508
   66    HZ3  TRP  10           3HZ      TRP  10   5.700  -6.649  -5.096
   67    HH2  TRP  10           HH       TRP  10   3.644  -8.015  -5.332
   68    H    ARG  11           H        ARG  11   4.568   0.422  -2.197
   69    HA   ARG  11           HA       ARG  11   7.023   0.704  -0.585
   70    HB2  ARG  11           2HB      ARG  11   7.410   2.589  -2.137
   71    HB3  ARG  11           1HB      ARG  11   6.959   1.133  -3.024
   72    HG2  ARG  11           2HG      ARG  11   4.501   2.220  -2.559
   73    HG3  ARG  11           1HG      ARG  11   5.484   3.676  -2.702
   74    HD2  ARG  11           2HD      ARG  11   4.744   3.137  -4.934
   75    HD3  ARG  11           1HD      ARG  11   6.446   2.644  -4.848
   76    HE   ARG  11           HE       ARG  11   4.872   0.449  -3.972
   77   HH11  ARG  11          1HH2      ARG  11   5.497   2.345  -6.790
   78   HH12  ARG  11          2HH2      ARG  11   5.163   1.052  -7.891
   79   HH21  ARG  11          1HH1      ARG  11   4.433  -1.245  -5.397
   80   HH22  ARG  11          2HH1      ARG  11   4.560  -0.978  -7.103
   81    H    CYS  12           H        CYS  12   4.733   0.846   1.027
   82    HA   CYS  12           HA       CYS  12   3.799   3.559   1.425
   83    HB2  CYS  12           2HB      CYS  12   3.564   0.872   2.638
   84    HB3  CYS  12           1HB      CYS  12   3.347   2.213   3.766
   85    H    ARG  13           H        ARG  13   6.201   4.386   1.380
   86    HA   ARG  13           HA       ARG  13   7.497   4.111   4.058
   87    HB2  ARG  13           2HB      ARG  13   9.468   4.946   2.884
   88    HB3  ARG  13           1HB      ARG  13   8.741   3.655   1.919
   89    HG2  ARG  13           2HG      ARG  13   8.952   5.225   0.254
   90    HG3  ARG  13           1HG      ARG  13   7.396   5.751   0.898
   91    HD2  ARG  13           2HD      ARG  13   8.269   7.692   1.718
   92    HD3  ARG  13           1HD      ARG  13   9.725   6.877   2.326
   93    HE   ARG  13           HE       ARG  13   9.797   6.847  -0.526
   94   HH11  ARG  13          1HH2      ARG  13   9.989   8.997   2.171
   95   HH12  ARG  13          2HH2      ARG  13  11.006  10.136   1.355
   96   HH21  ARG  13          1HH1      ARG  13  11.128   8.324  -1.598
   97   HH22  ARG  13          2HH1      ARG  13  11.655   9.753  -0.774
  Start of MODEL   16
    1    H1   GLY   1           H1       GLY   1  -5.778   7.270  -1.175
    2    HA2  GLY   1           2HA      GLY   1  -4.581   7.822  -3.396
    3    HA3  GLY   1           1HA      GLY   1  -3.165   8.081  -2.378
    4    H    CYS   2           H        CYS   2  -1.817   6.369  -2.668
    5    HA   CYS   2           HA       CYS   2  -2.935   3.663  -3.136
    6    HB2  CYS   2           2HB      CYS   2  -0.418   5.155  -3.564
    7    HB3  CYS   2           1HB      CYS   2  -0.202   3.453  -3.142
    8    H    CYS   3           H        CYS   3  -1.332   5.520  -0.619
    9    HA   CYS   3           HA       CYS   3  -0.627   3.161   0.985
   10    HB2  CYS   3           2HB      CYS   3   0.226   5.764   0.768
   11    HB3  CYS   3           1HB      CYS   3  -0.744   5.832   2.239
   12    H    SER   4           H        SER   4  -3.437   3.233   0.345
   13    HA   SER   4           HA       SER   4  -4.578   3.668   3.082
   14    HB2  SER   4           2HB      SER   4  -5.346   4.687   0.412
   15    HB3  SER   4           1HB      SER   4  -6.681   4.095   1.396
   16    HG   SER   4           HG       SER   4  -5.327   5.444   3.072
   17    H    ASP   5           H        ASP   5  -4.167   1.559   0.384
   18    HA   ASP   5           HA       ASP   5  -6.112  -0.359   1.613
   19    HB2  ASP   5           2HB      ASP   5  -6.178  -1.102  -0.965
   20    HB3  ASP   5           1HB      ASP   5  -7.247   0.140  -0.328
   21    HA   PRO   6           HA       PRO   6  -2.889  -3.312   1.221
   22    HB2  PRO   6           2HB      PRO   6  -4.305  -5.601   0.737
   23    HB3  PRO   6           1HB      PRO   6  -4.343  -4.750   2.294
   24    HG2  PRO   6           2HG      PRO   6  -6.407  -4.945   0.230
   25    HG3  PRO   6           1HG      PRO   6  -6.555  -4.508   1.934
   26    HD2  PRO   6           2HD      PRO   6  -6.524  -2.773  -0.335
   27    HD3  PRO   6           1HD      PRO   6  -6.693  -2.340   1.379
   28    H    ARG   7           H        ARG   7  -3.783  -1.968  -1.401
   29    HA   ARG   7           HA       ARG   7  -2.751  -4.091  -3.255
   30    HB2  ARG   7           2HB      ARG   7  -4.631  -1.834  -3.978
   31    HB3  ARG   7           1HB      ARG   7  -4.314  -3.316  -4.881
   32    HG2  ARG   7           2HG      ARG   7  -5.463  -4.655  -3.256
   33    HG3  ARG   7           1HG      ARG   7  -5.557  -3.311  -2.120
   34    HD2  ARG   7           2HD      ARG   7  -7.498  -2.618  -3.050
   35    HD3  ARG   7           1HD      ARG   7  -6.731  -2.526  -4.647
   36    HE   ARG   7           HE       ARG   7  -8.266  -4.804  -3.604
   37   HH11  ARG   7          1HH2      ARG   7  -5.880  -3.654  -5.826
   38   HH12  ARG   7          2HH2      ARG   7  -6.124  -4.945  -6.951
   39   HH21  ARG   7          1HH1      ARG   7  -8.586  -6.490  -5.068
   40   HH22  ARG   7          2HH1      ARG   7  -7.650  -6.548  -6.523
   41    H    CYS   8           H        CYS   8  -2.252  -0.990  -1.924
   42    HA   CYS   8           HA       CYS   8  -0.197  -0.414  -4.024
   43    HB2  CYS   8           2HB      CYS   8  -2.665   0.859  -3.724
   44    HB3  CYS   8           1HB      CYS   8  -1.519   1.954  -2.943
   45    H    ARG   9           H        ARG   9  -0.666  -1.064  -0.853
   46    HA   ARG   9           HA       ARG   9   1.175   1.037   0.183
   47    HB2  ARG   9           2HB      ARG   9   0.417   0.264   2.348
   48    HB3  ARG   9           1HB      ARG   9  -0.998   0.402   1.305
   49    HG2  ARG   9           2HG      ARG   9  -0.840  -2.032   0.811
   50    HG3  ARG   9           1HG      ARG   9   0.519  -2.149   1.935
   51    HD2  ARG   9           2HD      ARG   9  -1.495  -0.791   3.365
   52    HD3  ARG   9           1HD      ARG   9  -2.321  -2.123   2.531
   53    HE   ARG   9           HE       ARG   9   0.131  -3.123   3.574
   54   HH11  ARG   9          1HH2      ARG   9  -2.926  -1.883   4.592
   55   HH12  ARG   9          2HH2      ARG   9  -2.949  -2.789   6.067
   56   HH21  ARG   9          1HH1      ARG   9   0.113  -4.311   5.495
   57   HH22  ARG   9          2HH1      ARG   9  -1.230  -4.163   6.578
   58    H    TRP  10           H        TRP  10   2.287  -0.931  -1.618
   59    HA   TRP  10           HA       TRP  10   3.626  -2.992  -0.021
   60    HB2  TRP  10           2HB      TRP  10   3.985  -1.967  -2.858
   61    HB3  TRP  10           1HB      TRP  10   4.740  -3.428  -2.212
   62    HD1  TRP  10           HD       TRP  10   1.403  -2.017  -3.352
   63    HE1  TRP  10           1HE      TRP  10  -0.305  -3.939  -3.540
   64    HE3  TRP  10           3HE      TRP  10   4.106  -5.806  -1.254
   65    HZ2  TRP  10           2HZ      TRP  10  -0.500  -6.716  -2.884
   66    HZ3  TRP  10           3HZ      TRP  10   3.136  -8.077  -1.045
   67    HH2  TRP  10           HH       TRP  10   0.838  -8.537  -1.856
   68    H    ARG  11           H        ARG  11   4.917  -0.310  -2.031
   69    HA   ARG  11           HA       ARG  11   7.384  -0.270  -0.393
   70    HB2  ARG  11           2HB      ARG  11   6.634   1.547  -2.690
   71    HB3  ARG  11           1HB      ARG  11   8.244   1.029  -2.190
   72    HG2  ARG  11           2HG      ARG  11   6.098  -0.710  -3.441
   73    HG3  ARG  11           1HG      ARG  11   7.609  -0.200  -4.195
   74    HD2  ARG  11           2HD      ARG  11   8.821  -1.802  -3.108
   75    HD3  ARG  11           1HD      ARG  11   7.945  -1.557  -1.585
   76    HE   ARG  11           HE       ARG  11   6.299  -2.760  -3.672
   77   HH11  ARG  11          1HH2      ARG  11   8.582  -3.272  -1.132
   78   HH12  ARG  11          2HH2      ARG  11   8.077  -4.900  -0.831
   79   HH21  ARG  11          1HH1      ARG  11   5.631  -4.882  -3.289
   80   HH22  ARG  11          2HH1      ARG  11   6.407  -5.810  -2.048
   81    H    CYS  12           H        CYS  12   4.818   0.600   0.812
   82    HA   CYS  12           HA       CYS  12   5.116   3.547   1.038
   83    HB2  CYS  12           2HB      CYS  12   3.013   1.666   1.049
   84    HB3  CYS  12           1HB      CYS  12   3.087   2.307   2.694
   85    H    ARG  13           H        ARG  13   7.281   3.129   2.182
   86    HA   ARG  13           HA       ARG  13   6.862   2.389   5.058
   87    HB2  ARG  13           2HB      ARG  13   9.201   2.272   3.145
   88    HB3  ARG  13           1HB      ARG  13   9.427   2.126   4.892
   89    HG2  ARG  13           2HG      ARG  13   7.246   0.437   3.998
   90    HG3  ARG  13           1HG      ARG  13   8.725   0.067   3.110
   91    HD2  ARG  13           2HD      ARG  13   9.482  -1.068   4.918
   92    HD3  ARG  13           1HD      ARG  13   9.452   0.443   5.849
   93    HE   ARG  13           HE       ARG  13   7.434  -0.287   6.827
   94   HH11  ARG  13          1HH2      ARG  13   8.055  -1.906   3.839
   95   HH12  ARG  13          2HH2      ARG  13   6.685  -2.956   3.976
   96   HH21  ARG  13          1HH1      ARG  13   5.645  -1.651   7.013
   97   HH22  ARG  13          2HH1      ARG  13   5.321  -2.810   5.768
  Start of MODEL   17
    1    H1   GLY   1           H1       GLY   1  -4.376   9.605   0.583
    2    HA2  GLY   1           2HA      GLY   1  -5.248   8.984  -1.680
    3    HA3  GLY   1           1HA      GLY   1  -3.486   9.055  -1.738
    4    H    CYS   2           H        CYS   2  -2.518   7.269  -2.544
    5    HA   CYS   2           HA       CYS   2  -4.093   4.803  -2.918
    6    HB2  CYS   2           2HB      CYS   2  -2.457   6.045  -4.538
    7    HB3  CYS   2           1HB      CYS   2  -1.191   5.224  -3.620
    8    H    CYS   3           H        CYS   3  -1.235   5.886  -1.099
    9    HA   CYS   3           HA       CYS   3  -0.413   3.327  -0.115
   10    HB2  CYS   3           2HB      CYS   3   0.003   6.208   0.494
   11    HB3  CYS   3           1HB      CYS   3   0.425   5.071   1.774
   12    H    SER   4           H        SER   4  -3.014   2.940   0.190
   13    HA   SER   4           HA       SER   4  -3.444   3.069   3.142
   14    HB2  SER   4           2HB      SER   4  -5.514   3.758   1.034
   15    HB3  SER   4           1HB      SER   4  -5.709   3.885   2.780
   16    HG   SER   4           HG       SER   4  -5.175   5.891   1.757
   17    H    ASP   5           H        ASP   5  -5.123   1.944   0.180
   18    HA   ASP   5           HA       ASP   5  -6.325  -0.356   1.321
   19    HB2  ASP   5           2HB      ASP   5  -6.103  -1.135  -1.205
   20    HB3  ASP   5           1HB      ASP   5  -7.151   0.205  -0.776
   21    HA   PRO   6           HA       PRO   6  -3.067  -3.303   1.369
   22    HB2  PRO   6           2HB      PRO   6  -4.429  -5.598   0.763
   23    HB3  PRO   6           1HB      PRO   6  -4.659  -4.708   2.282
   24    HG2  PRO   6           2HG      PRO   6  -6.463  -4.971   0.004
   25    HG3  PRO   6           1HG      PRO   6  -6.801  -4.418   1.646
   26    HD2  PRO   6           2HD      PRO   6  -6.394  -2.847  -0.729
   27    HD3  PRO   6           1HD      PRO   6  -6.879  -2.308   0.893
   28    H    ARG   7           H        ARG   7  -3.860  -2.108  -1.459
   29    HA   ARG   7           HA       ARG   7  -2.411  -4.206  -3.051
   30    HB2  ARG   7           2HB      ARG   7  -4.432  -2.222  -4.116
   31    HB3  ARG   7           1HB      ARG   7  -3.870  -3.712  -4.873
   32    HG2  ARG   7           2HG      ARG   7  -4.927  -5.014  -3.032
   33    HG3  ARG   7           1HG      ARG   7  -5.555  -3.508  -2.361
   34    HD2  ARG   7           2HD      ARG   7  -7.096  -3.224  -4.082
   35    HD3  ARG   7           1HD      ARG   7  -6.117  -4.141  -5.245
   36    HE   ARG   7           HE       ARG   7  -7.003  -5.753  -2.980
   37   HH11  ARG   7          1HH2      ARG   7  -7.774  -4.482  -6.097
   38   HH12  ARG   7          2HH2      ARG   7  -8.898  -5.744  -6.476
   39   HH21  ARG   7          1HH1      ARG   7  -8.465  -7.405  -3.466
   40   HH22  ARG   7          2HH1      ARG   7  -9.289  -7.395  -4.989
   41    H    CYS   8           H        CYS   8  -2.384  -1.025  -1.872
   42    HA   CYS   8           HA       CYS   8  -0.379  -0.195  -3.950
   43    HB2  CYS   8           2HB      CYS   8  -2.750   0.921  -3.640
   44    HB3  CYS   8           1HB      CYS   8  -1.979   1.697  -2.256
   45    H    ARG   9           H        ARG   9  -0.936  -0.909  -0.656
   46    HA   ARG   9           HA       ARG   9   1.159   0.872   0.409
   47    HB2  ARG   9           2HB      ARG   9   0.490  -0.157   2.530
   48    HB3  ARG   9           1HB      ARG   9  -0.952   0.276   1.609
   49    HG2  ARG   9           2HG      ARG   9  -1.325  -1.978   0.934
   50    HG3  ARG   9           1HG      ARG   9   0.287  -2.478   1.456
   51    HD2  ARG   9           2HD      ARG   9  -1.501  -1.270   3.528
   52    HD3  ARG   9           1HD      ARG   9  -1.858  -2.925   2.997
   53    HE   ARG   9           HE       ARG   9   0.533  -2.079   4.465
   54   HH11  ARG   9          1HH2      ARG   9  -0.901  -4.354   2.295
   55   HH12  ARG   9          2HH2      ARG   9   0.200  -5.626   2.701
   56   HH21  ARG   9          1HH1      ARG   9   1.971  -3.730   5.000
   57   HH22  ARG   9          2HH1      ARG   9   1.824  -5.275   4.228
   58    H    TRP  10           H        TRP  10   2.244  -0.789  -1.580
   59    HA   TRP  10           HA       TRP  10   3.451  -3.166  -0.349
   60    HB2  TRP  10           2HB      TRP  10   3.749  -1.687  -2.980
   61    HB3  TRP  10           1HB      TRP  10   4.652  -3.158  -2.600
   62    HD1  TRP  10           HD       TRP  10   0.939  -2.059  -2.381
   63    HE1  TRP  10           1HE      TRP  10  -0.520  -4.014  -3.219
   64    HE3  TRP  10           3HE      TRP  10   4.576  -5.482  -3.445
   65    HZ2  TRP  10           2HZ      TRP  10  -0.187  -6.677  -4.208
   66    HZ3  TRP  10           3HZ      TRP  10   3.979  -7.717  -4.332
   67    HH2  TRP  10           HH       TRP  10   1.604  -8.319  -4.714
   68    H    ARG  11           H        ARG  11   4.822  -0.177  -1.788
   69    HA   ARG  11           HA       ARG  11   7.371  -0.576  -0.387
   70    HB2  ARG  11           2HB      ARG  11   6.173   1.537  -2.198
   71    HB3  ARG  11           1HB      ARG  11   7.802   1.675  -1.536
   72    HG2  ARG  11           2HG      ARG  11   8.574   0.331  -3.163
   73    HG3  ARG  11           1HG      ARG  11   7.516  -0.961  -2.594
   74    HD2  ARG  11           2HD      ARG  11   5.853   0.875  -3.985
   75    HD3  ARG  11           1HD      ARG  11   7.278   0.595  -5.005
   76    HE   ARG  11           HE       ARG  11   6.223  -1.847  -3.797
   77   HH11  ARG  11          1HH2      ARG  11   6.075   0.389  -6.426
   78   HH12  ARG  11          2HH2      ARG  11   5.399  -0.758  -7.533
   79   HH21  ARG  11          1HH1      ARG  11   5.338  -3.351  -5.234
   80   HH22  ARG  11          2HH1      ARG  11   4.980  -2.869  -6.859
   81    H    CYS  12           H        CYS  12   4.486   1.446  -0.047
   82    HA   CYS  12           HA       CYS  12   5.416   3.383   1.794
   83    HB2  CYS  12           2HB      CYS  12   2.949   2.313   0.757
   84    HB3  CYS  12           1HB      CYS  12   2.778   2.592   2.492
   85    H    ARG  13           H        ARG  13   3.907   0.203   2.493
   86    HA   ARG  13           HA       ARG  13   5.507   0.024   4.986
   87    HB2  ARG  13           2HB      ARG  13   2.721   0.824   4.791
   88    HB3  ARG  13           1HB      ARG  13   2.878  -0.662   5.734
   89    HG2  ARG  13           2HG      ARG  13   3.451   0.668   7.471
   90    HG3  ARG  13           1HG      ARG  13   4.989   0.902   6.640
   91    HD2  ARG  13           2HD      ARG  13   4.491   3.095   6.374
   92    HD3  ARG  13           1HD      ARG  13   3.056   2.643   5.431
   93    HE   ARG  13           HE       ARG  13   2.263   2.152   8.020
   94   HH11  ARG  13          1HH2      ARG  13   3.721   4.828   6.392
   95   HH12  ARG  13          2HH2      ARG  13   2.983   6.015   7.412
   96   HH21  ARG  13          1HH1      ARG  13   1.297   3.693   9.355
   97   HH22  ARG  13          2HH1      ARG  13   1.612   5.375   9.086
  Start of MODEL   18
    1    H1   GLY   1           H1       GLY   1  -2.355  10.523  -1.433
    2    HA2  GLY   1           2HA      GLY   1  -0.063   8.930  -2.218
    3    HA3  GLY   1           1HA      GLY   1  -0.934   8.798  -0.689
    4    H    CYS   2           H        CYS   2  -0.305   6.417  -1.529
    5    HA   CYS   2           HA       CYS   2  -2.819   5.332  -2.732
    6    HB2  CYS   2           2HB      CYS   2  -0.772   5.656  -4.309
    7    HB3  CYS   2           1HB      CYS   2  -0.075   4.287  -3.435
    8    H    CYS   3           H        CYS   3  -0.950   5.399  -0.078
    9    HA   CYS   3           HA       CYS   3  -0.804   2.494   0.460
   10    HB2  CYS   3           2HB      CYS   3  -0.236   4.820   2.316
   11    HB3  CYS   3           1HB      CYS   3   0.440   3.194   2.386
   12    H    SER   4           H        SER   4  -3.475   3.663   0.080
   13    HA   SER   4           HA       SER   4  -4.618   3.803   2.814
   14    HB2  SER   4           2HB      SER   4  -5.636   4.232  -0.001
   15    HB3  SER   4           1HB      SER   4  -6.705   4.272   1.398
   16    HG   SER   4           HG       SER   4  -5.285   5.897   2.264
   17    H    ASP   5           H        ASP   5  -4.380   1.595   0.095
   18    HA   ASP   5           HA       ASP   5  -6.192  -0.307   1.546
   19    HB2  ASP   5           2HB      ASP   5  -6.177  -1.271  -0.960
   20    HB3  ASP   5           1HB      ASP   5  -7.291  -0.008  -0.455
   21    HA   PRO   6           HA       PRO   6  -2.903  -3.211   1.497
   22    HB2  PRO   6           2HB      PRO   6  -4.282  -5.558   1.244
   23    HB3  PRO   6           1HB      PRO   6  -4.358  -4.545   2.700
   24    HG2  PRO   6           2HG      PRO   6  -6.387  -4.995   0.642
   25    HG3  PRO   6           1HG      PRO   6  -6.568  -4.371   2.284
   26    HD2  PRO   6           2HD      PRO   6  -6.510  -2.902  -0.173
   27    HD3  PRO   6           1HD      PRO   6  -6.733  -2.284   1.478
   28    H    ARG   7           H        ARG   7  -4.031  -2.277  -1.316
   29    HA   ARG   7           HA       ARG   7  -2.837  -4.542  -2.884
   30    HB2  ARG   7           2HB      ARG   7  -4.852  -2.454  -3.766
   31    HB3  ARG   7           1HB      ARG   7  -4.388  -3.915  -4.638
   32    HG2  ARG   7           2HG      ARG   7  -5.155  -4.963  -2.233
   33    HG3  ARG   7           1HG      ARG   7  -6.253  -3.590  -2.374
   34    HD2  ARG   7           2HD      ARG   7  -7.322  -5.493  -3.442
   35    HD3  ARG   7           1HD      ARG   7  -6.786  -4.399  -4.734
   36    HE   ARG   7           HE       ARG   7  -4.637  -6.162  -4.136
   37   HH11  ARG   7          1HH2      ARG   7  -7.835  -6.173  -5.443
   38   HH12  ARG   7          2HH2      ARG   7  -7.545  -7.532  -6.477
   39   HH21  ARG   7          1HH1      ARG   7  -4.249  -7.932  -5.482
   40   HH22  ARG   7          2HH1      ARG   7  -5.518  -8.526  -6.499
   41    H    CYS   8           H        CYS   8  -2.549  -1.225  -2.020
   42    HA   CYS   8           HA       CYS   8  -0.511  -0.843  -4.191
   43    HB2  CYS   8           2HB      CYS   8  -2.697   0.352  -4.534
   44    HB3  CYS   8           1HB      CYS   8  -2.405   1.219  -3.022
   45    H    ARG   9           H        ARG   9  -0.975  -1.120  -0.911
   46    HA   ARG   9           HA       ARG   9   0.931   1.001  -0.114
   47    HB2  ARG   9           2HB      ARG   9   0.356   0.208   2.155
   48    HB3  ARG   9           1HB      ARG   9  -1.099   0.507   1.206
   49    HG2  ARG   9           2HG      ARG   9  -1.313  -1.881   0.716
   50    HG3  ARG   9           1HG      ARG   9   0.196  -2.214   1.573
   51    HD2  ARG   9           2HD      ARG   9  -1.167  -0.850   3.500
   52    HD3  ARG   9           1HD      ARG   9  -2.503  -1.668   2.666
   53    HE   ARG   9           HE       ARG   9  -0.612  -3.652   2.879
   54   HH11  ARG   9          1HH2      ARG   9  -2.035  -1.405   5.082
   55   HH12  ARG   9          2HH2      ARG   9  -1.893  -2.459   6.449
   56   HH21  ARG   9          1HH1      ARG   9  -0.421  -5.034   4.654
   57   HH22  ARG   9          2HH1      ARG   9  -0.980  -4.509   6.207
   58    H    TRP  10           H        TRP  10   2.346  -0.566  -1.762
   59    HA   TRP  10           HA       TRP  10   3.635  -2.778  -0.284
   60    HB2  TRP  10           2HB      TRP  10   4.026  -1.529  -3.024
   61    HB3  TRP  10           1HB      TRP  10   4.881  -2.968  -2.458
   62    HD1  TRP  10           HD       TRP  10   1.323  -1.728  -3.233
   63    HE1  TRP  10           1HE      TRP  10  -0.155  -3.774  -3.754
   64    HE3  TRP  10           3HE      TRP  10   4.626  -5.488  -2.210
   65    HZ2  TRP  10           2HZ      TRP  10   0.037  -6.628  -3.741
   66    HZ3  TRP  10           3HZ      TRP  10   3.952  -7.858  -2.474
   67    HH2  TRP  10           HH       TRP  10   1.666  -8.433  -3.238
   68    H    ARG  11           H        ARG  11   4.887   0.108  -2.015
   69    HA   ARG  11           HA       ARG  11   7.336   0.068  -0.375
   70    HB2  ARG  11           2HB      ARG  11   6.418   2.075  -2.450
   71    HB3  ARG  11           1HB      ARG  11   8.076   1.715  -1.965
   72    HG2  ARG  11           2HG      ARG  11   6.199  -0.254  -3.309
   73    HG3  ARG  11           1HG      ARG  11   7.479   0.642  -4.130
   74    HD2  ARG  11           2HD      ARG  11   9.095  -0.759  -3.348
   75    HD3  ARG  11           1HD      ARG  11   8.405  -0.767  -1.713
   76    HE   ARG  11           HE       ARG  11   6.620  -2.175  -3.414
   77   HH11  ARG  11          1HH2      ARG  11   9.811  -2.389  -2.110
   78   HH12  ARG  11          2HH2      ARG  11   9.835  -4.120  -2.113
   79   HH21  ARG  11          1HH1      ARG  11   6.641  -4.432  -3.423
   80   HH22  ARG  11          2HH1      ARG  11   8.043  -5.276  -2.856
   81    H    CYS  12           H        CYS  12   4.773   0.676   1.000
   82    HA   CYS  12           HA       CYS  12   5.052   3.579   1.615
   83    HB2  CYS  12           2HB      CYS  12   2.986   1.473   2.329
   84    HB3  CYS  12           1HB      CYS  12   2.862   3.185   2.748
   85    H    ARG  13           H        ARG  13   7.114   3.175   2.809
   86    HA   ARG  13           HA       ARG  13   7.239   1.465   5.127
   87    HB2  ARG  13           2HB      ARG  13   8.825   3.496   3.720
   88    HB3  ARG  13           1HB      ARG  13   9.087   3.505   5.468
   89    HG2  ARG  13           2HG      ARG  13  10.528   1.799   5.073
   90    HG3  ARG  13           1HG      ARG  13   9.078   0.811   4.895
   91    HD2  ARG  13           2HD      ARG  13  10.366   0.424   2.906
   92    HD3  ARG  13           1HD      ARG  13   9.086   1.553   2.418
   93    HE   ARG  13           HE       ARG  13  10.753   3.191   2.108
   94   HH11  ARG  13          1HH2      ARG  13  11.818   0.684   4.234
   95   HH12  ARG  13          2HH2      ARG  13  13.423   1.318   4.383
   96   HH21  ARG  13          1HH1      ARG  13  12.840   4.023   2.296
   97   HH22  ARG  13          2HH1      ARG  13  14.002   3.205   3.287
  Start of MODEL   19
    1    H1   GLY   1           H1       GLY   1  -5.609   5.422  -1.526
    2    HA2  GLY   1           2HA      GLY   1  -5.590   6.357  -4.130
    3    HA3  GLY   1           1HA      GLY   1  -4.364   7.339  -3.328
    4    H    CYS   2           H        CYS   2  -3.176   5.562  -1.610
    5    HA   CYS   2           HA       CYS   2  -2.420   3.151  -3.174
    6    HB2  CYS   2           2HB      CYS   2  -0.983   4.906  -4.042
    7    HB3  CYS   2           1HB      CYS   2  -0.586   5.447  -2.407
    8    H    CYS   3           H        CYS   3  -1.078   5.034  -0.437
    9    HA   CYS   3           HA       CYS   3  -0.535   2.654   1.129
   10    HB2  CYS   3           2HB      CYS   3   0.271   5.282   1.058
   11    HB3  CYS   3           1HB      CYS   3  -0.754   5.260   2.494
   12    H    SER   4           H        SER   4  -3.434   4.160   0.420
   13    HA   SER   4           HA       SER   4  -4.657   3.878   3.093
   14    HB2  SER   4           2HB      SER   4  -5.058   5.612   1.130
   15    HB3  SER   4           1HB      SER   4  -6.154   4.367   0.539
   16    HG   SER   4           HG       SER   4  -7.034   5.997   2.044
   17    H    ASP   5           H        ASP   5  -4.314   2.013   0.156
   18    HA   ASP   5           HA       ASP   5  -6.309   0.044   1.221
   19    HB2  ASP   5           2HB      ASP   5  -6.076  -0.670  -1.355
   20    HB3  ASP   5           1HB      ASP   5  -7.191   0.586  -0.834
   21    HA   PRO   6           HA       PRO   6  -3.130  -2.970   1.199
   22    HB2  PRO   6           2HB      PRO   6  -4.553  -5.225   0.596
   23    HB3  PRO   6           1HB      PRO   6  -4.742  -4.342   2.125
   24    HG2  PRO   6           2HG      PRO   6  -6.565  -4.519  -0.156
   25    HG3  PRO   6           1HG      PRO   6  -6.892  -4.042   1.512
   26    HD2  PRO   6           2HD      PRO   6  -6.535  -2.356  -0.776
   27    HD3  PRO   6           1HD      PRO   6  -6.905  -1.884   0.897
   28    H    ARG   7           H        ARG   7  -4.089  -1.816  -1.661
   29    HA   ARG   7           HA       ARG   7  -2.807  -3.977  -3.291
   30    HB2  ARG   7           2HB      ARG   7  -4.092  -3.059  -5.126
   31    HB3  ARG   7           1HB      ARG   7  -5.174  -3.223  -3.740
   32    HG2  ARG   7           2HG      ARG   7  -4.729  -0.841  -3.164
   33    HG3  ARG   7           1HG      ARG   7  -3.777  -0.691  -4.640
   34    HD2  ARG   7           2HD      ARG   7  -5.933   0.105  -5.257
   35    HD3  ARG   7           1HD      ARG   7  -5.918  -1.562  -5.853
   36    HE   ARG   7           HE       ARG   7  -7.366  -0.588  -3.455
   37   HH11  ARG   7          1HH2      ARG   7  -6.270  -3.244  -5.403
   38   HH12  ARG   7          2HH2      ARG   7  -7.464  -4.335  -4.793
   39   HH21  ARG   7          1HH1      ARG   7  -8.908  -2.019  -2.666
   40   HH22  ARG   7          2HH1      ARG   7  -8.944  -3.650  -3.248
   41    H    CYS   8           H        CYS   8  -1.915  -1.216  -1.772
   42    HA   CYS   8           HA       CYS   8   0.243  -0.684  -3.734
   43    HB2  CYS   8           2HB      CYS   8  -1.876   0.653  -4.222
   44    HB3  CYS   8           1HB      CYS   8  -1.572   1.506  -2.710
   45    H    ARG   9           H        ARG   9  -0.388  -1.432  -0.709
   46    HA   ARG   9           HA       ARG   9   1.115   0.699   0.686
   47    HB2  ARG   9           2HB      ARG   9   0.418  -0.458   2.656
   48    HB3  ARG   9           1HB      ARG   9  -0.940  -0.566   1.539
   49    HG2  ARG   9           2HG      ARG   9  -0.863  -2.800   1.863
   50    HG3  ARG   9           1HG      ARG   9   0.607  -2.783   0.884
   51    HD2  ARG   9           2HD      ARG   9   0.819  -3.900   3.186
   52    HD3  ARG   9           1HD      ARG   9   2.004  -2.625   2.854
   53    HE   ARG   9           HE       ARG   9   0.931  -1.273   4.471
   54   HH11  ARG   9          1HH2      ARG   9  -1.030  -3.946   3.506
   55   HH12  ARG   9          2HH2      ARG   9  -2.241  -3.657   4.709
   56   HH21  ARG   9          1HH1      ARG   9  -0.637  -0.889   6.043
   57   HH22  ARG   9          2HH1      ARG   9  -2.016  -1.930   6.146
   58    H    TRP  10           H        TRP  10   2.275  -1.424  -1.356
   59    HA   TRP  10           HA       TRP  10   4.235  -2.819   0.349
   60    HB2  TRP  10           2HB      TRP  10   4.096  -2.638  -2.670
   61    HB3  TRP  10           1HB      TRP  10   4.834  -3.918  -1.698
   62    HD1  TRP  10           HD       TRP  10   1.443  -2.518  -2.735
   63    HE1  TRP  10           1HE      TRP  10  -0.367  -4.301  -2.298
   64    HE3  TRP  10           3HE      TRP  10   4.239  -6.020  -0.296
   65    HZ2  TRP  10           2HZ      TRP  10  -0.595  -6.874  -1.069
   66    HZ3  TRP  10           3HZ      TRP  10   3.203  -8.126   0.499
   67    HH2  TRP  10           HH       TRP  10   0.791  -8.557   0.116
   68    H    ARG  11           H        ARG  11   4.091   0.015  -1.735
   69    HA   ARG  11           HA       ARG  11   7.028   0.370  -1.685
   70    HB2  ARG  11           2HB      ARG  11   4.655   1.756  -2.933
   71    HB3  ARG  11           1HB      ARG  11   6.265   2.475  -2.990
   72    HG2  ARG  11           2HG      ARG  11   6.670   1.191  -4.799
   73    HG3  ARG  11           1HG      ARG  11   6.668  -0.197  -3.711
   74    HD2  ARG  11           2HD      ARG  11   3.940   0.493  -4.236
   75    HD3  ARG  11           1HD      ARG  11   4.795   0.384  -5.787
   76    HE   ARG  11           HE       ARG  11   5.498  -1.770  -3.950
   77   HH11  ARG  11          1HH2      ARG  11   3.280  -0.619  -6.336
   78   HH12  ARG  11          2HH2      ARG  11   2.768  -2.205  -6.810
   79   HH21  ARG  11          1HH1      ARG  11   4.836  -3.842  -4.564
   80   HH22  ARG  11          2HH1      ARG  11   3.646  -4.024  -5.809
   81    H    CYS  12           H        CYS  12   4.121   2.089  -0.495
   82    HA   CYS  12           HA       CYS  12   5.711   4.061   0.973
   83    HB2  CYS  12           2HB      CYS  12   3.521   4.886   1.611
   84    HB3  CYS  12           1HB      CYS  12   3.437   4.393  -0.084
   85    H    ARG  13           H        ARG  13   6.628   1.623   1.838
   86    HA   ARG  13           HA       ARG  13   6.926   0.291   3.769
   87    HB2  ARG  13           2HB      ARG  13   7.486   2.440   4.706
   88    HB3  ARG  13           1HB      ARG  13   5.780   2.889   4.828
   89    HG2  ARG  13           2HG      ARG  13   5.395   1.175   6.506
   90    HG3  ARG  13           1HG      ARG  13   7.039   0.565   6.313
   91    HD2  ARG  13           2HD      ARG  13   7.235   1.930   8.221
   92    HD3  ARG  13           1HD      ARG  13   7.722   3.045   6.931
   93    HE   ARG  13           HE       ARG  13   5.135   3.075   8.365
   94   HH11  ARG  13          1HH2      ARG  13   7.073   4.175   5.703
   95   HH12  ARG  13          2HH2      ARG  13   6.069   5.546   5.388
   96   HH21  ARG  13          1HH1      ARG  13   3.835   4.856   7.940
   97   HH22  ARG  13          2HH1      ARG  13   4.244   5.930   6.644
  Start of MODEL   20
    1    H1   GLY   1           H1       GLY   1  -2.360   8.171  -3.604
    2    HA2  GLY   1           2HA      GLY   1  -4.272   7.917  -1.745
    3    HA3  GLY   1           1HA      GLY   1  -5.286   8.119  -3.173
    4    H    CYS   2           H        CYS   2  -2.852   6.034  -1.677
    5    HA   CYS   2           HA       CYS   2  -4.041   3.705  -3.049
    6    HB2  CYS   2           2HB      CYS   2  -1.935   5.102  -4.209
    7    HB3  CYS   2           1HB      CYS   2  -1.129   3.768  -3.377
    8    H    CYS   3           H        CYS   3  -1.326   4.886  -1.035
    9    HA   CYS   3           HA       CYS   3  -0.653   2.449   0.234
   10    HB2  CYS   3           2HB      CYS   3   0.651   4.507   0.394
   11    HB3  CYS   3           1HB      CYS   3  -0.673   5.315   1.234
   12    H    SER   4           H        SER   4  -3.400   4.570   0.701
   13    HA   SER   4           HA       SER   4  -4.215   3.761   3.317
   14    HB2  SER   4           2HB      SER   4  -5.297   5.126   0.945
   15    HB3  SER   4           1HB      SER   4  -6.526   4.317   1.911
   16    HG   SER   4           HG       SER   4  -4.794   6.415   2.570
   17    H    ASP   5           H        ASP   5  -4.173   2.029   0.341
   18    HA   ASP   5           HA       ASP   5  -6.060  -0.007   1.477
   19    HB2  ASP   5           2HB      ASP   5  -6.005  -0.616  -1.139
   20    HB3  ASP   5           1HB      ASP   5  -7.108   0.587  -0.482
   21    HA   PRO   6           HA       PRO   6  -2.854  -2.967   1.125
   22    HB2  PRO   6           2HB      PRO   6  -4.263  -5.216   0.453
   23    HB3  PRO   6           1HB      PRO   6  -4.377  -4.439   2.046
   24    HG2  PRO   6           2HG      PRO   6  -6.324  -4.502  -0.140
   25    HG3  PRO   6           1HG      PRO   6  -6.566  -4.162   1.575
   26    HD2  PRO   6           2HD      PRO   6  -6.406  -2.300  -0.579
   27    HD3  PRO   6           1HD      PRO   6  -6.641  -1.961   1.147
   28    H    ARG   7           H        ARG   7  -3.771  -1.551  -1.524
   29    HA   ARG   7           HA       ARG   7  -2.772  -3.604  -3.460
   30    HB2  ARG   7           2HB      ARG   7  -4.324  -1.013  -3.766
   31    HB3  ARG   7           1HB      ARG   7  -3.840  -2.047  -5.111
   32    HG2  ARG   7           2HG      ARG   7  -5.067  -3.942  -3.954
   33    HG3  ARG   7           1HG      ARG   7  -5.719  -2.739  -2.843
   34    HD2  ARG   7           2HD      ARG   7  -6.045  -1.785  -5.543
   35    HD3  ARG   7           1HD      ARG   7  -6.732  -3.416  -5.403
   36    HE   ARG   7           HE       ARG   7  -7.570  -2.154  -3.086
   37   HH11  ARG   7          1HH2      ARG   7  -7.733  -1.500  -6.473
   38   HH12  ARG   7          2HH2      ARG   7  -9.212  -0.606  -6.360
   39   HH21  ARG   7          1HH1      ARG   7  -9.497  -0.988  -2.927
   40   HH22  ARG   7          2HH1      ARG   7 -10.210  -0.319  -4.356
   41    H    CYS   8           H        CYS   8  -2.013  -0.579  -1.924
   42    HA   CYS   8           HA       CYS   8   0.403  -0.319  -3.688
   43    HB2  CYS   8           2HB      CYS   8  -1.575   1.698  -2.622
   44    HB3  CYS   8           1HB      CYS   8   0.042   2.189  -3.132
   45    H    ARG   9           H        ARG   9  -0.552  -1.153  -0.690
   46    HA   ARG   9           HA       ARG   9   1.141   0.486   1.007
   47    HB2  ARG   9           2HB      ARG   9   0.481  -1.188   2.684
   48    HB3  ARG   9           1HB      ARG   9  -0.915  -0.736   1.703
   49    HG2  ARG   9           2HG      ARG   9  -0.850  -2.742   0.463
   50    HG3  ARG   9           1HG      ARG   9   0.811  -3.094   0.954
   51    HD2  ARG   9           2HD      ARG   9  -0.087  -3.277   3.353
   52    HD3  ARG   9           1HD      ARG   9  -1.706  -3.306   2.626
   53    HE   ARG   9           HE       ARG   9   0.115  -5.143   1.301
   54   HH11  ARG   9          1HH2      ARG   9  -1.971  -4.651   4.010
   55   HH12  ARG   9          2HH2      ARG   9  -2.281  -6.338   4.241
   56   HH21  ARG   9          1HH1      ARG   9  -0.284  -7.343   1.591
   57   HH22  ARG   9          2HH1      ARG   9  -1.328  -7.861   2.873
   58    H    TRP  10           H        TRP  10   2.020  -1.685  -1.337
   59    HA   TRP  10           HA       TRP  10   3.973  -3.313   0.022
   60    HB2  TRP  10           2HB      TRP  10   3.822  -2.381  -2.861
   61    HB3  TRP  10           1HB      TRP  10   4.703  -3.795  -2.267
   62    HD1  TRP  10           HD       TRP  10   1.210  -2.520  -2.998
   63    HE1  TRP  10           1HE      TRP  10  -0.453  -4.485  -2.897
   64    HE3  TRP  10           3HE      TRP  10   4.276  -6.157  -1.155
   65    HZ2  TRP  10           2HZ      TRP  10  -0.478  -7.242  -2.123
   66    HZ3  TRP  10           3HZ      TRP  10   3.408  -8.440  -0.742
   67    HH2  TRP  10           HH       TRP  10   1.037  -8.988  -1.222
   68    H    ARG  11           H        ARG  11   4.232  -0.268  -1.832
   69    HA   ARG  11           HA       ARG  11   7.081   0.001  -1.087
   70    HB2  ARG  11           2HB      ARG  11   5.229   1.832  -2.643
   71    HB3  ARG  11           1HB      ARG  11   6.993   1.857  -2.658
   72    HG2  ARG  11           2HG      ARG  11   5.322  -0.515  -3.539
   73    HG3  ARG  11           1HG      ARG  11   6.003   0.683  -4.642
   74    HD2  ARG  11           2HD      ARG  11   8.105  -0.194  -4.472
   75    HD3  ARG  11           1HD      ARG  11   7.949  -0.450  -2.724
   76    HE   ARG  11           HE       ARG  11   6.177  -2.272  -3.858
   77   HH11  ARG  11          1HH2      ARG  11   9.535  -1.518  -4.113
   78   HH12  ARG  11          2HH2      ARG  11  10.008  -3.145  -4.467
   79   HH21  ARG  11          1HH1      ARG  11   6.782  -4.404  -4.316
   80   HH22  ARG  11          2HH1      ARG  11   8.452  -4.775  -4.584
   81    H    CYS  12           H        CYS  12   3.961   1.156  -0.044
   82    HA   CYS  12           HA       CYS  12   5.130   3.443   1.440
   83    HB2  CYS  12           2HB      CYS  12   3.050   3.822   0.300
   84    HB3  CYS  12           1HB      CYS  12   2.341   2.351   0.978
   85    H    ARG  13           H        ARG  13   3.112   0.578   2.220
   86    HA   ARG  13           HA       ARG  13   4.462   0.484   4.895
   87    HB2  ARG  13           2HB      ARG  13   2.283   1.598   5.069
   88    HB3  ARG  13           1HB      ARG  13   1.508   0.251   4.228
   89    HG2  ARG  13           2HG      ARG  13   2.619  -1.178   6.158
   90    HG3  ARG  13           1HG      ARG  13   2.608   0.364   7.015
   91    HD2  ARG  13           2HD      ARG  13   0.077  -0.252   5.625
   92    HD3  ARG  13           1HD      ARG  13   0.475  -1.358   6.955
   93    HE   ARG  13           HE       ARG  13   1.053   1.068   8.065
   94   HH11  ARG  13          1HH2      ARG  13  -1.649  -0.155   6.288
   95   HH12  ARG  13          2HH2      ARG  13  -2.788   0.902   7.050
   96   HH21  ARG  13          1HH1      ARG  13  -0.432   2.446   9.065
   97   HH22  ARG  13          2HH1      ARG  13  -2.104   2.367   8.621