*HEADER    SIGNALING PROTEIN INHIBITOR, TOXIN      02-SEP-07   2JUT              
*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 2JUT    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    2 and name   HB2 ) (resid    8 and name  HB2 ) 4.50 2.80 0.0 
assign (resid    2 and name   HA ) (resid    8 and name  HB2 ) 4.67 2.87 0.0
assign (resid    3 and name   HB# ) (resid   12 and name  HB3 ) 4.35 2.55 0.0 
assign (resid    3 and name   HA ) (resid   12 and name  HB2 ) 4.35 2.55 0.0
assign (resid    3 and name   HA ) (resid   12 and name  HB1 ) 4.34 2.54 0.0
assign (resid    3 and name   HA ) (resid   12 and name   HN ) 5.50 3.70 0.0 
assign (resid    3 and name   HN ) (resid   12 and name  HB2 ) 5.06 3.26 0.0


assign (resid    2 and name   HA ) (resid    2 and name  HB2 ) 3.72 1.92 0.0
assign (resid    2 and name   HA ) (resid    2 and name  HB1 ) 4.09 2.29 0.0
assign (resid    2 and name   HN ) (resid    2 and name   HA ) 4.69 2.89 0.0
assign (resid    2 and name   HN ) (resid    2 and name  HB2 ) 4.32 2.52 0.0
assign (resid    2 and name   HN ) (resid    2 and name  HB1 ) 4.59 2.79 0.0
assign (resid    3 and name   HA ) (resid    3 and name  HB2 ) 3.56 1.76 0.0
assign (resid    3 and name   HA ) (resid    3 and name  HB1 ) 2.90 1.10 0.0
assign (resid    3 and name   HN ) (resid    3 and name   HA ) 3.28 1.48 0.0
assign (resid    3 and name   HN ) (resid    3 and name  HB2 ) 2.99 1.19 0.0
assign (resid    3 and name   HN ) (resid    3 and name  HB1 ) 3.46 1.66 0.0
assign (resid    4 and name   HA ) (resid    4 and name  HB2 ) 5.50 3.70 0.0
assign (resid    4 and name   HA ) (resid    4 and name  HB1 ) 3.27 1.47 0.0
assign (resid    4 and name   HN ) (resid    4 and name   HA ) 3.46 1.66 0.0
assign (resid    4 and name   HN ) (resid    4 and name  HB2 ) 3.88 2.08 0.0
assign (resid    4 and name   HN ) (resid    4 and name  HB1 ) 3.59 1.79 0.0
assign (resid    5 and name   HA ) (resid    5 and name  HB2 ) 3.08 1.28 0.0
assign (resid    5 and name   HA ) (resid    5 and name  HB1 ) 3.60 1.80 0.0
assign (resid    5 and name   HN ) (resid    5 and name   HA ) 4.24 2.44 0.0
assign (resid    5 and name   HN ) (resid    5 and name  HB2 ) 3.97 2.17 0.0
assign (resid    5 and name   HN ) (resid    5 and name  HB1 ) 3.82 2.02 0.0
assign (resid    6 and name   HA ) (resid    6 and name  HB1 ) 2.81 1.01 0.0
assign (resid    6 and name  HD1 ) (resid    6 and name  HB1 ) 4.00 2.20 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HB2 ) 3.15 1.35 0.0
assign (resid    7 and name   HA ) (resid    7 and name   HE ) 5.49 3.69 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HG2 ) 3.05 1.25 0.0
assign (resid    7 and name   HA ) (resid    7 and name  HG1 ) 4.11 2.31 0.0
assign (resid    7 and name  HB2 ) (resid    7 and name  HD2 ) 3.74 1.94 0.0
assign (resid    7 and name  HB2 ) (resid    7 and name  HD1 ) 4.36 2.56 0.0
assign (resid    7 and name  HB2 ) (resid    7 and name   HE ) 4.46 2.66 0.0
assign (resid    7 and name  HB2 ) (resid    7 and name  HG2 ) 3.24 1.44 0.0
assign (resid    7 and name  HB2 ) (resid    7 and name  HG1 ) 3.00 1.20 0.0
assign (resid    7 and name  HG2 ) (resid    7 and name  HD1 ) 3.01 1.21 0.0
assign (resid    7 and name  HG2 ) (resid    7 and name   HE ) 3.67 1.87 0.0
assign (resid    7 and name  HG1 ) (resid    7 and name  HD2 ) 3.95 2.15 0.0
assign (resid    7 and name  HG1 ) (resid    7 and name  HD1 ) 4.40 2.60 0.0
assign (resid    7 and name  HG1 ) (resid    7 and name   HE ) 3.47 1.67 0.0
assign (resid    7 and name   HN ) (resid    7 and name   HA ) 3.21 1.41 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HB2 ) 3.99 2.19 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HB1 ) 4.20 2.40 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HD2 ) 4.70 2.90 0.0 
assign (resid    7 and name   HN ) (resid    7 and name   HE ) 5.49 3.69 0.0
assign (resid    7 and name   HN ) (resid    7 and name  HG2 ) 3.38 1.58 0.0 
assign (resid    7 and name   HN ) (resid    7 and name  HG1 ) 3.38 1.58 0.0 
assign (resid    8 and name  HB1 ) (resid    8 and name   HA ) 3.50 1.70 0.0
assign (resid    8 and name   HN ) (resid    8 and name   HA ) 3.18 1.38 0.0
assign (resid    8 and name   HN ) (resid    8 and name  HB2 ) 3.69 1.89 0.0
assign (resid    8 and name   HN ) (resid    8 and name  HB1 ) 3.50 1.70 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HG2 ) 4.02 2.22 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HG1 ) 4.25 2.45 0.0
assign (resid    9 and name   HA ) (resid    9 and name  HB# ) 2.73 0.93 0.0
assign (resid    9 and name   HN ) (resid    9 and name   HA ) 3.54 1.74 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HG2 ) 4.37 2.57 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HG1 ) 3.88 2.08 0.0
assign (resid    9 and name   HN ) (resid    9 and name  HB# ) 3.20 1.40 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  HB1 ) 3.33 1.53 0.0
assign (resid   10 and name   HN ) (resid   10 and name   HA ) 3.97 2.17 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HB2 ) 3.97 2.17 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HB1 ) 3.96 2.16 0.0
assign (resid   10 and name   HN ) (resid   10 and name  HD# ) 4.12 2.32 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HB2 ) 3.68 1.88 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HG2 ) 4.29 2.49 0.0
assign (resid   11 and name   HA ) (resid   11 and name  HG1 ) 4.10 2.30 0.0 
assign (resid   11 and name  HB2 ) (resid   11 and name  HD1 ) 4.00 2.20 0.0 
assign (resid   11 and name  HB1 ) (resid   11 and name  HD2 ) 3.57 1.77 0.0
assign (resid   11 and name  HB1 ) (resid   11 and name  HD1 ) 3.79 1.99 0.0
assign (resid   11 and name  HG1 ) (resid   11 and name  HD1 ) 3.68 1.88 0.0
assign (resid   11 and name   HN ) (resid   11 and name   HA ) 3.53 1.73 0.0 
assign (resid   11 and name   HN ) (resid   11 and name  HB2 ) 3.90 2.10 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HB1 ) 3.74 1.94 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HG2 ) 4.26 2.46 0.0
assign (resid   11 and name   HN ) (resid   11 and name  HG1 ) 4.13 2.33 0.0
assign (resid   12 and name   HA ) (resid   12 and name  HB2 ) 3.75 1.95 0.0
assign (resid   12 and name   HA ) (resid   12 and name  HB1 ) 3.84 2.04 0.0
assign (resid   12 and name   HN ) (resid   12 and name   HA ) 4.32 2.52 0.0
assign (resid   12 and name   HN ) (resid   12 and name  HB2 ) 4.35 2.55 0.0
assign (resid   12 and name   HN ) (resid   12 and name  HB1 ) 4.11 2.31 0.0
assign (resid   13 and name   HA ) (resid   13 and name  HB1 ) 4.31 2.51 0.0
assign (resid   13 and name   HA ) (resid   13 and name  HG1 ) 4.07 2.27 0.0
assign (resid   13 and name   HN ) (resid   13 and name   HA ) 3.46 1.66 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HB2 ) 5.33 3.53 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HB1 ) 4.50 2.70 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HG2 ) 4.46 2.66 0.0
assign (resid   13 and name   HN ) (resid   13 and name  HG1 ) 3.87 2.07 0.0

assign (resid    1 and name  HA1 ) (resid    2 and name   HN ) 4.12 2.32 0.0
assign (resid    1 and name  HA2 ) (resid    2 and name   HN ) 4.15 2.35 0.0
assign (resid    2 and name   HA ) (resid    3 and name   HN ) 3.86 2.06 0.0
assign (resid    2 and name  HB2 ) (resid    3 and name   HN ) 4.35 2.55 0.0 
assign (resid    2 and name  HB1 ) (resid    3 and name   HN ) 4.60 2.80 0.0
assign (resid    2 and name   HN ) (resid    3 and name   HN ) 5.21 3.41 0.0
assign (resid    3 and name   HA ) (resid    4 and name   HN ) 3.86 2.06 0.0
assign (resid    3 and name  HB2 ) (resid    4 and name   HN ) 4.27 2.47 0.0
assign (resid    3 and name  HB1 ) (resid    4 and name   HN ) 4.48 2.68 0.0
assign (resid    5 and name   HA ) (resid    6 and name  HD2 ) 4.97 3.17 0.0
assign (resid    5 and name   HA ) (resid    6 and name  HD1 ) 2.95 1.15 0.0
assign (resid    6 and name   HA ) (resid    7 and name   HN ) 4.19 2.39 0.0
assign (resid    6 and name  HB2 ) (resid    7 and name   HN ) 4.50 2.70 0.0
assign (resid    6 and name  HB1 ) (resid    7 and name   HN ) 5.25 3.45 0.0
assign (resid    6 and name  HD1 ) (resid    7 and name   HE ) 5.50 3.70 0.0
assign (resid    6 and name  HD1 ) (resid    7 and name   HN ) 3.41 1.61 0.0
assign (resid    7 and name   HA ) (resid    8 and name   HN ) 3.69 1.89 0.0
assign (resid    7 and name  HB2 ) (resid    8 and name   HN ) 4.30 2.50 0.0
assign (resid    7 and name  HG2 ) (resid    8 and name   HN ) 4.48 2.68 0.0 
assign (resid    7 and name  HG1 ) (resid    8 and name   HN ) 4.45 2.65 0.0 
assign (resid    7 and name   HN ) (resid    8 and name   HN ) 2.67 0.87 0.0
assign (resid    8 and name   HA ) (resid    9 and name   HN ) 3.00 1.20 0.0
assign (resid    8 and name   HN ) (resid    9 and name   HN ) 3.10 1.30 0.0 
assign (resid    9 and name   HA ) (resid   10 and name   HN ) 4.37 2.57 0.0
assign (resid    9 and name  HG2 ) (resid   10 and name   HN ) 5.49 3.69 0.0
assign (resid    9 and name  HG1 ) (resid   10 and name   HN ) 5.49 3.69 0.0
assign (resid    9 and name   HN ) (resid   10 and name   HN ) 4.22 2.42 0.0
assign (resid    9 and name  HB# ) (resid   10 and name  HB2 ) 5.33 3.53 0.0 
assign (resid    9 and name  HB# ) (resid   10 and name  HD# ) 4.40 2.60 0.0 
assign (resid    9 and name  HG1 ) (resid   10 and name  HD# ) 4.00 2.20 0.0 
assign (resid    9 and name  HG2 ) (resid   10 and name  HD# ) 4.30 2.50 0.0 
assign (resid    9 and name  HB# ) (resid   10 and name   HN ) 4.52 2.72 0.0
assign (resid   10 and name   HA ) (resid   11 and name   HN ) 3.45 1.65 0.0 
assign (resid   10 and name  HB2 ) (resid   11 and name   HN ) 4.06 2.26 0.0
assign (resid   10 and name  HB1 ) (resid   11 and name   HN ) 3.89 2.09 0.0
assign (resid   10 and name  HD# ) (resid   11 and name   HN ) 4.52 2.72 0.0
assign (resid   10 and name  HD# ) (resid   11 and name   HG1 ) 4.82 3.02 0.0
assign (resid   10 and name  HD# ) (resid   11 and name   HG2 ) 5.22 3.42 0.0
assign (resid   11 and name   HA ) (resid   12 and name  HB2 ) 5.17 3.37 0.0
assign (resid   11 and name   HA ) (resid   12 and name  HB1 ) 5.82 4.02 0.0 
assign (resid   11 and name   HA ) (resid   12 and name   HN ) 3.52 1.72 0.0
assign (resid   11 and name  HB1 ) (resid   12 and name   HN ) 4.92 3.12 0.0
assign (resid   11 and name  HB2 ) (resid   12 and name   HN ) 5.33 3.53 0.0
assign (resid   11 and name  HG1 ) (resid   12 and name   HN ) 5.50 3.70 0.0
assign (resid   12 and name   HA ) (resid   13 and name   HN ) 3.26 1.46 0.0
assign (resid   12 and name  HB2 ) (resid   13 and name   HN ) 4.34 2.54 0.0
assign (resid   12 and name  HB1 ) (resid   13 and name   HN ) 4.60 2.80 0.0
assign (resid   12 and name   HN ) (resid   13 and name   HN ) 4.48 2.68 0.0

assign (resid    1 and name  HA1 ) (resid    3 and name   HN ) 4.59 2.79 0.0
assign (resid    1 and name  HA2 ) (resid    3 and name   HN ) 4.84 3.04 0.0
assign (resid    2 and name   HA ) (resid    4 and name   HN ) 4.81 3.01 0.0
assign (resid    2 and name   HA ) (resid    5 and name  HB2 ) 5.50 3.70 0.0
assign (resid    2 and name   HA ) (resid    5 and name  HB1 ) 3.84 2.04 0.0 
assign (resid    2 and name   HB2 ) (resid    5 and name  HB2 ) 5.50 3.70 0.0
assign (resid    2 and name  HB1 ) (resid    4 and name   HN ) 5.50 3.70 0.0
assign (resid    2 and name  HB1 ) (resid    5 and name  HB2 ) 5.18 3.38 0.0 
assign (resid    3 and name   HN ) (resid    5 and name   HN ) 4.00 2.20 0.0 
assign (resid    3 and name   HA ) (resid    5 and name   HN ) 4.50 2.70 0.0 
assign (resid    5 and name   HA ) (resid    7 and name   HN ) 4.69 2.89 0.0
assign (resid    5 and name   HA ) (resid    8 and name   HN ) 5.34 3.54 0.0
assign (resid    5 and name  HB2 ) (resid    7 and name   HN ) 5.50 3.70 0.0
assign (resid    5 and name  HB2 ) (resid    8 and name   HN ) 4.14 2.34 0.0
assign (resid    5 and name  HB1 ) (resid    8 and name   HB2 ) 4.52 2.72 0.0
assign (resid    5 and name  HB1 ) (resid    8 and name   HN ) 4.52 2.72 0.0 
assign (resid    6 and name   HA ) (resid    8 and name   HN ) 4.50 2.70 0.0
assign (resid    6 and name   HA ) (resid    9 and name   HN ) 4.50 2.80 0.0 
assign (resid    6 and name  HD1 ) (resid    8 and name   HN ) 5.00 3.20 0.0
assign (resid    8 and name   HA ) (resid   10 and name   HN ) 5.02 3.22 0.0 
assign (resid    9 and name  HG2 ) (resid   11 and name  HD2 ) 4.40 2.60 0.0 
assign (resid    9 and name   HA ) (resid   11 and name   HN ) 4.94 3.14 0.0 
assign (resid    9 and name   HA ) (resid   11 and name   HN ) 5.00 3.20 0.0 
assign (resid   11 and name  HG1 ) (resid   13 and name   HN ) 5.34 3.54 0.0
assign (resid   11 and name  HA ) (resid   13 and name   HN ) 5.34 3.54 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  6 and name C  ) (resid  7 and name N )
       (resid  7 and name CA ) (resid  7 and name C ) 1.0 -85.5  30.0 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  30.0 2

assign (resid  9 and name C  ) (resid  10 and name N )
       (resid  10 and name CA ) (resid  10 and name C ) 1.0 -98.0  30.0 2

assign (resid  10 and name C  ) (resid  11 and name N )
       (resid  11 and name CA ) (resid  11 and name C ) 1.0 -60.0  30.0 2

assign (resid  11 and name C  ) (resid  12 and name N )
       (resid  12 and name CA ) (resid  12 and name C ) 1.0 -60.0  30.0 2



!Chi1 Angles
assign (resid  2 and name N  ) (resid  2 and name CA )
      (resid  2 and name CB ) (resid  2 and name SG ) 1.0 -60.0  30.0 2

assign (resid  3 and name N  ) (resid  3 and name CA )
      (resid  3 and name CB ) (resid  3 and name SG ) 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 ) 1.0 180.0  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

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -5.338   6.232  -2.785
    2    HA2  GLY   1           2HA      GLY   1  -2.753   7.117  -1.583
    3    HA3  GLY   1           1HA      GLY   1  -4.246   6.856  -0.679
    4    H    CYS   2           H        CYS   2  -1.307   5.563  -1.007
    5    HA   CYS   2           HA       CYS   2  -1.797   2.764  -1.487
    6    HB2  CYS   2           2HB      CYS   2   0.341   4.513  -0.352
    7    HB3  CYS   2           1HB      CYS   2   0.435   2.790   0.007
    8    H    CYS   3           H        CYS   3  -1.856   4.773   1.442
    9    HA   CYS   3           HA       CYS   3  -1.945   2.721   3.401
   10    HB2  CYS   3           2HB      CYS   3  -2.805   5.566   3.125
   11    HB3  CYS   3           1HB      CYS   3  -3.418   4.669   4.514
   12    H    SER   4           H        SER   4  -4.422   3.886   1.194
   13    HA   SER   4           HA       SER   4  -6.483   2.235   2.604
   14    HB2  SER   4           2HB      SER   4  -8.056   3.620   1.300
   15    HB3  SER   4           1HB      SER   4  -6.930   4.638   2.194
   16    HG   SER   4           HG       SER   4  -7.183   5.248  -0.028
   17    H    ASP   5           H        ASP   5  -4.540   2.406  -0.267
   18    HA   ASP   5           HA       ASP   5  -6.214   0.844  -2.028
   19    HB2  ASP   5           2HB      ASP   5  -4.049   2.379  -2.321
   20    HB3  ASP   5           1HB      ASP   5  -3.223   0.828  -2.169
   21    HA   PRO   6           HA       PRO   6  -5.347  -3.151  -0.377
   22    HB2  PRO   6           2HB      PRO   6  -6.046  -4.664  -2.543
   23    HB3  PRO   6           1HB      PRO   6  -7.239  -3.830  -1.529
   24    HG2  PRO   6           2HG      PRO   6  -6.273  -3.166  -4.229
   25    HG3  PRO   6           1HG      PRO   6  -7.816  -2.790  -3.455
   26    HD2  PRO   6           2HD      PRO   6  -5.634  -1.043  -3.810
   27    HD3  PRO   6           1HD      PRO   6  -7.081  -0.750  -2.831
   28    H    ARG   7           H        ARG   7  -3.889  -2.040  -3.350
   29    HA   ARG   7           HA       ARG   7  -1.950  -4.244  -3.534
   30    HB2  ARG   7           2HB      ARG   7  -1.925  -1.535  -4.893
   31    HB3  ARG   7           1HB      ARG   7  -1.210  -3.038  -5.477
   32    HG2  ARG   7           2HG      ARG   7  -3.814  -3.798  -5.148
   33    HG3  ARG   7           1HG      ARG   7  -4.012  -2.108  -5.613
   34    HD2  ARG   7           2HD      ARG   7  -2.299  -2.661  -7.507
   35    HD3  ARG   7           1HD      ARG   7  -2.736  -4.349  -7.176
   36    HE   ARG   7           HE       ARG   7  -5.115  -2.747  -7.340
   37   HH11  ARG   7          1HH2      ARG   7  -2.575  -4.126  -9.231
   38   HH12  ARG   7          2HH2      ARG   7  -3.538  -4.258 -10.663
   39   HH21  ARG   7          1HH1      ARG   7  -6.380  -2.913  -9.204
   40   HH22  ARG   7          2HH1      ARG   7  -5.689  -3.574 -10.647
   41    H    CYS   8           H        CYS   8  -2.219  -1.241  -1.866
   42    HA   CYS   8           HA       CYS   8   0.729  -1.184  -1.312
   43    HB2  CYS   8           2HB      CYS   8  -1.399   0.779  -1.798
   44    HB3  CYS   8           1HB      CYS   8  -0.412   1.154  -0.388
   45    H    ARG   9           H        ARG   9  -1.066  -3.009   0.029
   46    HA   ARG   9           HA       ARG   9  -2.279  -2.444   2.391
   47    HB2  ARG   9           2HB      ARG   9  -1.140  -4.564   3.240
   48    HB3  ARG   9           1HB      ARG   9  -1.930  -4.701   1.671
   49    HG2  ARG   9           2HG      ARG   9   0.389  -4.077   0.681
   50    HG3  ARG   9           1HG      ARG   9   1.015  -4.497   2.278
   51    HD2  ARG   9           2HD      ARG   9   0.196  -6.752   2.107
   52    HD3  ARG   9           1HD      ARG   9  -0.748  -6.362   0.656
   53    HE   ARG   9           HE       ARG   9   1.980  -5.661   0.187
   54   HH11  ARG   9          1HH2      ARG   9  -0.087  -8.388   0.642
   55   HH12  ARG   9          2HH2      ARG   9   0.876  -9.446  -0.333
   56   HH21  ARG   9          1HH1      ARG   9   3.243  -7.031  -1.094
   57   HH22  ARG   9          2HH1      ARG   9   2.758  -8.679  -1.315
   58    H    TYR  10           H        TYR  10   1.302  -2.654   2.117
   59    HA   TYR  10           HA       TYR  10   1.448  -1.022   4.636
   60    HB2  TYR  10           2HB      TYR  10   2.989  -3.390   3.594
   61    HB3  TYR  10           1HB      TYR  10   3.722  -2.308   4.778
   62    HD1  TYR  10           1HD      TYR  10   2.754  -2.059   7.032
   63    HD2  TYR  10           2HD      TYR  10   1.120  -4.821   4.179
   64    HE1  TYR  10           1HE      TYR  10   1.491  -3.183   8.844
   65    HE2  TYR  10           2HE      TYR  10  -0.145  -5.945   5.991
   66    HH   TYR  10           HH       TYR  10  -0.844  -5.738   8.145
   67    H    ARG  11           H        ARG  11   2.301  -1.246   1.316
   68    HA   ARG  11           HA       ARG  11   4.704   0.415   1.454
   69    HB2  ARG  11           2HB      ARG  11   2.912  -0.238  -0.901
   70    HB3  ARG  11           1HB      ARG  11   4.621   0.199  -0.949
   71    HG2  ARG  11           2HG      ARG  11   5.131  -1.857   0.384
   72    HG3  ARG  11           1HG      ARG  11   3.433  -2.315   0.257
   73    HD2  ARG  11           2HD      ARG  11   4.087  -3.390  -1.653
   74    HD3  ARG  11           1HD      ARG  11   4.093  -1.767  -2.373
   75    HE   ARG  11           HE       ARG  11   6.543  -2.434  -0.905
   76   HH11  ARG  11          1HH2      ARG  11   4.837  -2.473  -3.911
   77   HH12  ARG  11          2HH2      ARG  11   6.276  -2.526  -4.871
   78   HH21  ARG  11          1HH1      ARG  11   8.420  -2.500  -2.150
   79   HH22  ARG  11          2HH1      ARG  11   8.300  -2.541  -3.878
   80    H    CYS  12           H        CYS  12   3.100   1.981   2.856
   81    HA   CYS  12           HA       CYS  12   1.555   3.796   1.101
   82    HB2  CYS  12           2HB      CYS  12   0.918   2.952   3.450
   83    HB3  CYS  12           1HB      CYS  12   2.141   4.068   4.055
   84    H    ARG  13           H        ARG  13   4.755   3.443   1.759
   85    HA   ARG  13           HA       ARG  13   5.262   6.383   1.478
   86    HB2  ARG  13           2HB      ARG  13   6.162   4.394   3.477
   87    HB3  ARG  13           1HB      ARG  13   7.436   5.442   2.847
   88    HG2  ARG  13           2HG      ARG  13   5.429   7.249   3.264
   89    HG3  ARG  13           1HG      ARG  13   5.131   6.105   4.571
   90    HD2  ARG  13           2HD      ARG  13   6.736   7.976   5.180
   91    HD3  ARG  13           1HD      ARG  13   7.423   6.351   5.380
   92    HE   ARG  13           HE       ARG  13   8.889   6.825   3.590
   93   HH11  ARG  13          1HH2      ARG  13   6.153   8.932   3.592
   94   HH12  ARG  13          2HH2      ARG  13   6.731   9.894   2.275
   95   HH21  ARG  13          1HH1      ARG  13   9.655   8.078   1.878
   96   HH22  ARG  13          2HH1      ARG  13   8.711   9.413   1.307
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -5.080   7.335  -2.664
    2    HA2  GLY   1           2HA      GLY   1  -2.538   7.390  -1.318
    3    HA3  GLY   1           1HA      GLY   1  -4.100   7.143  -0.537
    4    H    CYS   2           H        CYS   2  -1.221   5.694  -0.877
    5    HA   CYS   2           HA       CYS   2  -1.903   2.982  -1.612
    6    HB2  CYS   2           2HB      CYS   2   0.351   4.479  -0.345
    7    HB3  CYS   2           1HB      CYS   2   0.326   2.728  -0.149
    8    H    CYS   3           H        CYS   3  -1.995   4.805   1.405
    9    HA   CYS   3           HA       CYS   3  -2.109   2.640   3.257
   10    HB2  CYS   3           2HB      CYS   3  -3.029   5.501   3.154
   11    HB3  CYS   3           1HB      CYS   3  -3.444   4.503   4.547
   12    H    SER   4           H        SER   4  -4.636   4.176   1.288
   13    HA   SER   4           HA       SER   4  -6.702   2.426   2.535
   14    HB2  SER   4           2HB      SER   4  -6.623   4.912   0.856
   15    HB3  SER   4           1HB      SER   4  -8.094   3.943   0.873
   16    HG   SER   4           HG       SER   4  -6.788   4.664   3.267
   17    H    ASP   5           H        ASP   5  -4.475   1.900   0.292
   18    HA   ASP   5           HA       ASP   5  -6.294   0.724  -1.771
   19    HB2  ASP   5           2HB      ASP   5  -4.219   2.353  -2.092
   20    HB3  ASP   5           1HB      ASP   5  -3.303   0.853  -1.959
   21    HA   PRO   6           HA       PRO   6  -5.214  -3.279  -0.259
   22    HB2  PRO   6           2HB      PRO   6  -5.905  -4.766  -2.443
   23    HB3  PRO   6           1HB      PRO   6  -7.105  -4.015  -1.374
   24    HG2  PRO   6           2HG      PRO   6  -6.243  -3.232  -4.080
   25    HG3  PRO   6           1HG      PRO   6  -7.786  -2.961  -3.260
   26    HD2  PRO   6           2HD      PRO   6  -5.720  -1.087  -3.619
   27    HD3  PRO   6           1HD      PRO   6  -7.143  -0.910  -2.578
   28    H    ARG   7           H        ARG   7  -4.039  -2.251  -3.430
   29    HA   ARG   7           HA       ARG   7  -1.955  -4.282  -3.636
   30    HB2  ARG   7           2HB      ARG   7  -2.150  -1.584  -5.006
   31    HB3  ARG   7           1HB      ARG   7  -1.373  -3.047  -5.618
   32    HG2  ARG   7           2HG      ARG   7  -3.860  -4.010  -5.217
   33    HG3  ARG   7           1HG      ARG   7  -4.257  -2.323  -5.543
   34    HD2  ARG   7           2HD      ARG   7  -2.239  -3.333  -7.402
   35    HD3  ARG   7           1HD      ARG   7  -3.751  -4.257  -7.486
   36    HE   ARG   7           HE       ARG   7  -4.671  -1.683  -7.381
   37   HH11  ARG   7          1HH2      ARG   7  -2.247  -3.278  -9.260
   38   HH12  ARG   7          2HH2      ARG   7  -2.437  -2.233 -10.626
   39   HH21  ARG   7          1HH1      ARG   7  -4.926  -0.319  -9.161
   40   HH22  ARG   7          2HH1      ARG   7  -3.950  -0.561 -10.571
   41    H    CYS   8           H        CYS   8  -2.277  -1.219  -2.055
   42    HA   CYS   8           HA       CYS   8   0.685  -1.054  -1.626
   43    HB2  CYS   8           2HB      CYS   8  -1.468   0.798  -2.199
   44    HB3  CYS   8           1HB      CYS   8  -0.630   1.255  -0.721
   45    H    ARG   9           H        ARG   9  -0.929  -2.904  -0.138
   46    HA   ARG   9           HA       ARG   9  -2.066  -2.347   2.257
   47    HB2  ARG   9           2HB      ARG   9  -0.493  -4.294   3.114
   48    HB3  ARG   9           1HB      ARG   9  -1.675  -4.599   1.845
   49    HG2  ARG   9           2HG      ARG   9   0.832  -3.605   0.739
   50    HG3  ARG   9           1HG      ARG   9   1.079  -5.069   1.689
   51    HD2  ARG   9           2HD      ARG   9  -1.032  -4.785  -0.479
   52    HD3  ARG   9           1HD      ARG   9   0.535  -5.590  -0.696
   53    HE   ARG   9           HE       ARG   9  -1.723  -6.630   0.855
   54   HH11  ARG   9          1HH2      ARG   9   1.697  -6.589   0.354
   55   HH12  ARG   9          2HH2      ARG   9   1.947  -8.147   1.066
   56   HH21  ARG   9          1HH1      ARG   9  -1.403  -8.659   1.786
   57   HH22  ARG   9          2HH1      ARG   9   0.198  -9.313   1.877
   58    H    TYR  10           H        TYR  10   1.295  -3.185   2.835
   59    HA   TYR  10           HA       TYR  10   1.470  -1.026   4.837
   60    HB2  TYR  10           2HB      TYR  10   2.988  -3.494   4.058
   61    HB3  TYR  10           1HB      TYR  10   3.781  -2.290   5.077
   62    HD1  TYR  10           2HD      TYR  10   0.401  -3.917   4.813
   63    HD2  TYR  10           1HD      TYR  10   3.599  -2.617   7.368
   64    HE1  TYR  10           2HE      TYR  10  -0.824  -4.783   6.787
   65    HE2  TYR  10           1HE      TYR  10   2.374  -3.484   9.342
   66    HH   TYR  10           HH       TYR  10  -0.095  -3.952   9.911
   67    H    ARG  11           H        ARG  11   2.561  -1.608   1.589
   68    HA   ARG  11           HA       ARG  11   4.872   0.157   1.687
   69    HB2  ARG  11           2HB      ARG  11   4.615  -0.066  -0.840
   70    HB3  ARG  11           1HB      ARG  11   4.786  -1.580   0.044
   71    HG2  ARG  11           2HG      ARG  11   2.003  -0.792  -0.091
   72    HG3  ARG  11           1HG      ARG  11   2.707  -0.880  -1.705
   73    HD2  ARG  11           2HD      ARG  11   2.733  -3.072   0.398
   74    HD3  ARG  11           1HD      ARG  11   1.878  -3.098  -1.155
   75    HE   ARG  11           HE       ARG  11   4.773  -3.447  -0.780
   76   HH11  ARG  11          1HH2      ARG  11   2.177  -2.594  -2.898
   77   HH12  ARG  11          2HH2      ARG  11   3.042  -3.020  -4.335
   78   HH21  ARG  11          1HH1      ARG  11   5.907  -3.996  -2.646
   79   HH22  ARG  11          2HH1      ARG  11   5.151  -3.810  -4.194
   80    H    CYS  12           H        CYS  12   2.970   1.655   2.899
   81    HA   CYS  12           HA       CYS  12   1.638   3.399   0.915
   82    HB2  CYS  12           2HB      CYS  12   0.626   2.565   3.089
   83    HB3  CYS  12           1HB      CYS  12   1.773   3.602   3.936
   84    H    ARG  13           H        ARG  13   4.727   3.179   1.942
   85    HA   ARG  13           HA       ARG  13   5.287   5.944   2.696
   86    HB2  ARG  13           2HB      ARG  13   6.617   3.373   2.455
   87    HB3  ARG  13           1HB      ARG  13   7.621   4.664   1.797
   88    HG2  ARG  13           2HG      ARG  13   7.245   5.963   3.904
   89    HG3  ARG  13           1HG      ARG  13   6.387   4.570   4.563
   90    HD2  ARG  13           2HD      ARG  13   8.754   4.557   5.297
   91    HD3  ARG  13           1HD      ARG  13   8.444   3.185   4.214
   92    HE   ARG  13           HE       ARG  13   9.244   5.573   2.761
   93   HH11  ARG  13          1HH2      ARG  13  10.322   2.840   4.581
   94   HH12  ARG  13          2HH2      ARG  13  11.869   2.774   3.806
   95   HH21  ARG  13          1HH1      ARG  13  11.257   5.497   1.751
   96   HH22  ARG  13          2HH1      ARG  13  12.399   4.278   2.209
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -4.020   7.587  -3.608
    2    HA2  GLY   1           2HA      GLY   1  -2.893   7.262  -1.209
    3    HA3  GLY   1           1HA      GLY   1  -4.572   6.760  -1.417
    4    H    CYS   2           H        CYS   2  -1.328   5.672  -0.933
    5    HA   CYS   2           HA       CYS   2  -1.900   2.848  -1.526
    6    HB2  CYS   2           2HB      CYS   2   0.379   4.563  -0.673
    7    HB3  CYS   2           1HB      CYS   2   0.465   2.860  -0.234
    8    H    CYS   3           H        CYS   3  -1.975   4.963   1.264
    9    HA   CYS   3           HA       CYS   3  -1.801   2.902   3.284
   10    HB2  CYS   3           2HB      CYS   3  -3.085   5.644   3.406
   11    HB3  CYS   3           1HB      CYS   3  -2.389   4.734   4.746
   12    H    SER   4           H        SER   4  -4.169   3.515   1.002
   13    HA   SER   4           HA       SER   4  -6.239   2.156   2.690
   14    HB2  SER   4           2HB      SER   4  -6.250   4.823   1.854
   15    HB3  SER   4           1HB      SER   4  -7.292   4.009   0.688
   16    HG   SER   4           HG       SER   4  -7.571   4.337   3.448
   17    H    ASP   5           H        ASP   5  -4.287   1.908   0.069
   18    HA   ASP   5           HA       ASP   5  -6.247   0.783  -1.842
   19    HB2  ASP   5           2HB      ASP   5  -3.995   2.210  -2.130
   20    HB3  ASP   5           1HB      ASP   5  -3.275   0.602  -2.141
   21    HA   PRO   6           HA       PRO   6  -5.430  -3.349  -0.504
   22    HB2  PRO   6           2HB      PRO   6  -6.117  -4.727  -2.760
   23    HB3  PRO   6           1HB      PRO   6  -7.309  -3.920  -1.725
   24    HG2  PRO   6           2HG      PRO   6  -6.324  -3.162  -4.382
   25    HG3  PRO   6           1HG      PRO   6  -7.830  -2.724  -3.566
   26    HD2  PRO   6           2HD      PRO   6  -5.484  -1.147  -3.854
   27    HD3  PRO   6           1HD      PRO   6  -6.960  -0.737  -2.960
   28    H    ARG   7           H        ARG   7  -3.748  -1.993  -3.196
   29    HA   ARG   7           HA       ARG   7  -1.892  -4.295  -3.470
   30    HB2  ARG   7           2HB      ARG   7  -1.789  -1.593  -4.829
   31    HB3  ARG   7           1HB      ARG   7  -1.165  -3.130  -5.426
   32    HG2  ARG   7           2HG      ARG   7  -3.720  -3.850  -5.173
   33    HG3  ARG   7           1HG      ARG   7  -3.976  -2.116  -5.375
   34    HD2  ARG   7           2HD      ARG   7  -2.166  -2.569  -7.364
   35    HD3  ARG   7           1HD      ARG   7  -3.039  -4.116  -7.351
   36    HE   ARG   7           HE       ARG   7  -5.035  -2.181  -7.137
   37   HH11  ARG   7          1HH2      ARG   7  -2.450  -2.919  -9.308
   38   HH12  ARG   7          2HH2      ARG   7  -3.266  -2.283 -10.697
   39   HH21  ARG   7          1HH1      ARG   7  -6.104  -1.345  -8.940
   40   HH22  ARG   7          2HH1      ARG   7  -5.331  -1.392 -10.489
   41    H    CYS   8           H        CYS   8  -2.127  -1.210  -1.900
   42    HA   CYS   8           HA       CYS   8   0.805  -1.190  -1.294
   43    HB2  CYS   8           2HB      CYS   8  -1.387   0.779  -1.634
   44    HB3  CYS   8           1HB      CYS   8  -0.217   1.148  -0.371
   45    H    ARG   9           H        ARG   9  -1.364  -2.876  -0.020
   46    HA   ARG   9           HA       ARG   9  -2.346  -2.209   2.428
   47    HB2  ARG   9           2HB      ARG   9  -1.642  -4.579   3.092
   48    HB3  ARG   9           1HB      ARG   9  -2.526  -4.433   1.574
   49    HG2  ARG   9           2HG      ARG   9   0.395  -4.138   1.306
   50    HG3  ARG   9           1HG      ARG   9  -0.128  -5.733   1.843
   51    HD2  ARG   9           2HD      ARG   9  -1.912  -4.970  -0.234
   52    HD3  ARG   9           1HD      ARG   9  -0.272  -4.617  -0.805
   53    HE   ARG   9           HE       ARG   9   0.250  -6.930  -0.661
   54   HH11  ARG   9          1HH2      ARG   9  -2.755  -6.163   0.875
   55   HH12  ARG   9          2HH2      ARG   9  -3.220  -7.820   1.062
   56   HH21  ARG   9          1HH1      ARG   9  -0.356  -9.083  -0.414
   57   HH22  ARG   9          2HH1      ARG   9  -1.869  -9.468   0.336
   58    H    TYR  10           H        TYR  10   1.101  -2.439   1.678
   59    HA   TYR  10           HA       TYR  10   1.671  -1.652   4.521
   60    HB2  TYR  10           2HB      TYR  10   2.842  -3.677   2.670
   61    HB3  TYR  10           1HB      TYR  10   3.951  -2.848   3.764
   62    HD1  TYR  10           2HD      TYR  10   0.773  -4.790   3.651
   63    HD2  TYR  10           1HD      TYR  10   4.045  -3.405   6.060
   64    HE1  TYR  10           2HE      TYR  10   0.003  -6.229   5.523
   65    HE2  TYR  10           1HE      TYR  10   3.279  -4.841   7.932
   66    HH   TYR  10           HH       TYR  10   0.657  -7.152   7.521
   67    H    ARG  11           H        ARG  11   2.105  -0.936   1.166
   68    HA   ARG  11           HA       ARG  11   4.460   0.782   1.587
   69    HB2  ARG  11           2HB      ARG  11   2.613   0.428  -0.797
   70    HB3  ARG  11           1HB      ARG  11   4.228   1.137  -0.825
   71    HG2  ARG  11           2HG      ARG  11   5.283  -0.899  -0.584
   72    HG3  ARG  11           1HG      ARG  11   3.951  -1.597   0.337
   73    HD2  ARG  11           2HD      ARG  11   2.601  -1.815  -1.696
   74    HD3  ARG  11           1HD      ARG  11   3.871  -1.018  -2.647
   75    HE   ARG  11           HE       ARG  11   5.151  -3.010  -2.528
   76   HH11  ARG  11          1HH2      ARG  11   2.555  -2.992  -0.248
   77   HH12  ARG  11          2HH2      ARG  11   2.786  -4.644   0.218
   78   HH21  ARG  11          1HH1      ARG  11   5.458  -5.161  -1.925
   79   HH22  ARG  11          2HH1      ARG  11   4.426  -5.867  -0.726
   80    H    CYS  12           H        CYS  12   2.697   1.788   3.325
   81    HA   CYS  12           HA       CYS  12   0.882   3.772   2.201
   82    HB2  CYS  12           2HB      CYS  12   0.477   2.716   4.342
   83    HB3  CYS  12           1HB      CYS  12   2.044   3.242   4.949
   84    H    ARG  13           H        ARG  13   4.172   3.684   2.202
   85    HA   ARG  13           HA       ARG  13   4.398   6.584   1.814
   86    HB2  ARG  13           2HB      ARG  13   6.113   6.764   3.661
   87    HB3  ARG  13           1HB      ARG  13   4.475   6.446   4.236
   88    HG2  ARG  13           2HG      ARG  13   4.979   4.308   4.908
   89    HG3  ARG  13           1HG      ARG  13   6.158   4.069   3.618
   90    HD2  ARG  13           2HD      ARG  13   7.862   5.209   4.797
   91    HD3  ARG  13           1HD      ARG  13   6.699   5.998   5.883
   92    HE   ARG  13           HE       ARG  13   6.353   3.202   6.175
   93   HH11  ARG  13          1HH2      ARG  13   8.730   5.651   6.703
   94   HH12  ARG  13          2HH2      ARG  13   9.466   4.829   8.036
   95   HH21  ARG  13          1HH1      ARG  13   7.306   2.123   7.913
   96   HH22  ARG  13          2HH1      ARG  13   8.663   2.835   8.720
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -3.076   8.344  -0.144
    2    HA2  GLY   1           2HA      GLY   1  -4.527   6.723  -1.118
    3    HA3  GLY   1           1HA      GLY   1  -3.303   6.833  -2.386
    4    H    CYS   2           H        CYS   2  -1.143   5.660  -0.929
    5    HA   CYS   2           HA       CYS   2  -1.669   2.864  -1.389
    6    HB2  CYS   2           2HB      CYS   2   0.525   4.604  -0.367
    7    HB3  CYS   2           1HB      CYS   2   0.629   2.886   0.011
    8    H    CYS   3           H        CYS   3  -2.256   4.905   1.328
    9    HA   CYS   3           HA       CYS   3  -2.040   2.812   3.364
   10    HB2  CYS   3           2HB      CYS   3  -2.934   5.672   3.171
   11    HB3  CYS   3           1HB      CYS   3  -3.352   4.740   4.609
   12    H    SER   4           H        SER   4  -4.414   3.776   1.062
   13    HA   SER   4           HA       SER   4  -6.502   2.199   2.536
   14    HB2  SER   4           2HB      SER   4  -7.576   4.203   2.453
   15    HB3  SER   4           1HB      SER   4  -6.441   4.849   1.270
   16    HG   SER   4           HG       SER   4  -8.684   3.166   0.820
   17    H    ASP   5           H        ASP   5  -4.373   1.704   0.227
   18    HA   ASP   5           HA       ASP   5  -6.255   0.686  -1.859
   19    HB2  ASP   5           2HB      ASP   5  -4.046   2.180  -2.093
   20    HB3  ASP   5           1HB      ASP   5  -3.269   0.598  -2.074
   21    HA   PRO   6           HA       PRO   6  -5.394  -3.427  -0.511
   22    HB2  PRO   6           2HB      PRO   6  -6.102  -4.794  -2.772
   23    HB3  PRO   6           1HB      PRO   6  -7.286  -4.018  -1.703
   24    HG2  PRO   6           2HG      PRO   6  -6.359  -3.212  -4.367
   25    HG3  PRO   6           1HG      PRO   6  -7.863  -2.818  -3.526
   26    HD2  PRO   6           2HD      PRO   6  -5.567  -1.173  -3.832
   27    HD3  PRO   6           1HD      PRO   6  -7.026  -0.825  -2.886
   28    H    ARG   7           H        ARG   7  -3.755  -1.976  -3.156
   29    HA   ARG   7           HA       ARG   7  -1.850  -4.246  -3.486
   30    HB2  ARG   7           2HB      ARG   7  -1.712  -1.572  -4.874
   31    HB3  ARG   7           1HB      ARG   7  -1.249  -3.158  -5.489
   32    HG2  ARG   7           2HG      ARG   7  -3.744  -3.764  -5.305
   33    HG3  ARG   7           1HG      ARG   7  -4.028  -2.034  -5.131
   34    HD2  ARG   7           2HD      ARG   7  -2.324  -2.122  -7.308
   35    HD3  ARG   7           1HD      ARG   7  -3.338  -3.560  -7.547
   36    HE   ARG   7           HE       ARG   7  -5.105  -1.545  -6.747
   37   HH11  ARG   7          1HH2      ARG   7  -2.808  -2.074  -9.273
   38   HH12  ARG   7          2HH2      ARG   7  -3.659  -1.102 -10.424
   39   HH21  ARG   7          1HH1      ARG   7  -6.222  -0.276  -8.242
   40   HH22  ARG   7          2HH1      ARG   7  -5.588  -0.083  -9.841
   41    H    CYS   8           H        CYS   8  -2.187  -1.198  -1.900
   42    HA   CYS   8           HA       CYS   8   0.753  -1.098  -1.294
   43    HB2  CYS   8           2HB      CYS   8  -1.363   0.828  -1.918
   44    HB3  CYS   8           1HB      CYS   8  -0.459   1.263  -0.470
   45    H    ARG   9           H        ARG   9  -1.291  -2.807   0.041
   46    HA   ARG   9           HA       ARG   9  -2.406  -2.060   2.408
   47    HB2  ARG   9           2HB      ARG   9  -1.378  -4.325   3.256
   48    HB3  ARG   9           1HB      ARG   9  -2.482  -4.334   1.880
   49    HG2  ARG   9           2HG      ARG   9   0.287  -3.865   1.069
   50    HG3  ARG   9           1HG      ARG   9   0.090  -5.400   1.912
   51    HD2  ARG   9           2HD      ARG   9  -2.041  -4.827  -0.053
   52    HD3  ARG   9           1HD      ARG   9  -0.428  -5.058  -0.758
   53    HE   ARG   9           HE       ARG   9  -0.792  -7.052   1.231
   54   HH11  ARG   9          1HH2      ARG   9  -2.054  -6.059  -1.826
   55   HH12  ARG   9          2HH2      ARG   9  -2.498  -7.661  -2.309
   56   HH21  ARG   9          1HH1      ARG   9  -1.363  -9.146   0.611
   57   HH22  ARG   9          2HH1      ARG   9  -2.108  -9.407  -0.932
   58    H    TYR  10           H        TYR  10   1.128  -2.498   1.971
   59    HA   TYR  10           HA       TYR  10   1.480  -1.056   4.581
   60    HB2  TYR  10           2HB      TYR  10   2.681  -3.558   3.447
   61    HB3  TYR  10           1HB      TYR  10   3.650  -2.575   4.544
   62    HD1  TYR  10           2HD      TYR  10   0.441  -4.421   4.204
   63    HD2  TYR  10           1HD      TYR  10   3.196  -2.506   6.884
   64    HE1  TYR  10           2HE      TYR  10  -0.783  -5.371   6.141
   65    HE2  TYR  10           1HE      TYR  10   1.974  -3.455   8.821
   66    HH   TYR  10           HH       TYR  10  -0.656  -4.295   9.102
   67    H    ARG  11           H        ARG  11   2.295  -1.256   1.236
   68    HA   ARG  11           HA       ARG  11   4.839   0.162   1.397
   69    HB2  ARG  11           2HB      ARG  11   2.883  -0.654  -0.753
   70    HB3  ARG  11           1HB      ARG  11   4.300   0.323  -1.139
   71    HG2  ARG  11           2HG      ARG  11   5.767  -1.397  -0.743
   72    HG3  ARG  11           1HG      ARG  11   4.768  -2.090   0.536
   73    HD2  ARG  11           2HD      ARG  11   3.733  -3.500  -0.918
   74    HD3  ARG  11           1HD      ARG  11   3.471  -2.201  -2.100
   75    HE   ARG  11           HE       ARG  11   6.271  -2.969  -1.905
   76   HH11  ARG  11          1HH2      ARG  11   3.189  -3.700  -3.289
   77   HH12  ARG  11          2HH2      ARG  11   3.857  -4.519  -4.660
   78   HH21  ARG  11          1HH1      ARG  11   7.149  -4.033  -3.691
   79   HH22  ARG  11          2HH1      ARG  11   6.095  -4.707  -4.889
   80    H    CYS  12           H        CYS  12   2.931   1.665   2.862
   81    HA   CYS  12           HA       CYS  12   1.969   3.825   1.088
   82    HB2  CYS  12           2HB      CYS  12   0.840   2.701   3.186
   83    HB3  CYS  12           1HB      CYS  12   1.846   3.834   4.089
   84    H    ARG  13           H        ARG  13   4.788   3.094   2.790
   85    HA   ARG  13           HA       ARG  13   5.499   5.916   3.353
   86    HB2  ARG  13           2HB      ARG  13   6.467   3.180   4.041
   87    HB3  ARG  13           1HB      ARG  13   7.666   4.473   4.037
   88    HG2  ARG  13           2HG      ARG  13   6.847   4.552   6.234
   89    HG3  ARG  13           1HG      ARG  13   5.894   5.791   5.417
   90    HD2  ARG  13           2HD      ARG  13   3.954   4.518   5.443
   91    HD3  ARG  13           1HD      ARG  13   4.843   2.982   5.444
   92    HE   ARG  13           HE       ARG  13   5.559   4.267   7.832
   93   HH11  ARG  13          1HH2      ARG  13   2.698   3.131   6.265
   94   HH12  ARG  13          2HH2      ARG  13   1.865   2.793   7.745
   95   HH21  ARG  13          1HH1      ARG  13   4.484   3.832   9.768
   96   HH22  ARG  13          2HH1      ARG  13   2.873   3.195   9.728
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -2.532   6.351  -3.447
    2    HA2  GLY   1           2HA      GLY   1  -3.337   7.134  -0.856
    3    HA3  GLY   1           1HA      GLY   1  -4.772   6.501  -1.667
    4    H    CYS   2           H        CYS   2  -1.322   5.602  -1.318
    5    HA   CYS   2           HA       CYS   2  -1.763   2.784  -1.704
    6    HB2  CYS   2           2HB      CYS   2   0.386   4.626  -0.781
    7    HB3  CYS   2           1HB      CYS   2   0.561   2.930  -0.342
    8    H    CYS   3           H        CYS   3  -1.901   4.855   1.147
    9    HA   CYS   3           HA       CYS   3  -1.683   2.812   3.142
   10    HB2  CYS   3           2HB      CYS   3  -3.156   5.465   3.152
   11    HB3  CYS   3           1HB      CYS   3  -2.606   4.582   4.574
   12    H    SER   4           H        SER   4  -4.459   4.050   1.290
   13    HA   SER   4           HA       SER   4  -6.242   2.151   2.764
   14    HB2  SER   4           2HB      SER   4  -6.600   4.676   1.169
   15    HB3  SER   4           1HB      SER   4  -7.964   3.587   1.398
   16    HG   SER   4           HG       SER   4  -6.395   4.271   3.614
   17    H    ASP   5           H        ASP   5  -4.261   1.716   0.359
   18    HA   ASP   5           HA       ASP   5  -6.223   0.637  -1.623
   19    HB2  ASP   5           2HB      ASP   5  -4.079   2.205  -1.974
   20    HB3  ASP   5           1HB      ASP   5  -3.257   0.649  -2.016
   21    HA   PRO   6           HA       PRO   6  -5.171  -3.441  -0.305
   22    HB2  PRO   6           2HB      PRO   6  -5.910  -4.840  -2.536
   23    HB3  PRO   6           1HB      PRO   6  -7.088  -4.122  -1.419
   24    HG2  PRO   6           2HG      PRO   6  -6.261  -3.240  -4.106
   25    HG3  PRO   6           1HG      PRO   6  -7.788  -2.988  -3.251
   26    HD2  PRO   6           2HD      PRO   6  -5.717  -1.119  -3.571
   27    HD3  PRO   6           1HD      PRO   6  -7.116  -0.972  -2.493
   28    H    ARG   7           H        ARG   7  -3.898  -2.077  -3.249
   29    HA   ARG   7           HA       ARG   7  -1.864  -4.169  -3.654
   30    HB2  ARG   7           2HB      ARG   7  -1.988  -1.399  -4.869
   31    HB3  ARG   7           1HB      ARG   7  -1.324  -2.872  -5.583
   32    HG2  ARG   7           2HG      ARG   7  -3.782  -3.770  -5.282
   33    HG3  ARG   7           1HG      ARG   7  -4.194  -2.057  -5.249
   34    HD2  ARG   7           2HD      ARG   7  -2.319  -2.659  -7.406
   35    HD3  ARG   7           1HD      ARG   7  -3.827  -3.585  -7.556
   36    HE   ARG   7           HE       ARG   7  -4.757  -1.103  -6.886
   37   HH11  ARG   7          1HH2      ARG   7  -2.479  -2.249  -9.217
   38   HH12  ARG   7          2HH2      ARG   7  -2.766  -0.952 -10.325
   39   HH21  ARG   7          1HH1      ARG   7  -5.138   0.591  -8.324
   40   HH22  ARG   7          2HH1      ARG   7  -4.272   0.654  -9.822
   41    H    CYS   8           H        CYS   8  -2.187  -1.153  -1.963
   42    HA   CYS   8           HA       CYS   8   0.760  -1.092  -1.388
   43    HB2  CYS   8           2HB      CYS   8  -1.395   0.883  -1.863
   44    HB3  CYS   8           1HB      CYS   8  -0.275   1.293  -0.569
   45    H    ARG   9           H        ARG   9  -1.463  -2.687  -0.083
   46    HA   ARG   9           HA       ARG   9  -2.416  -1.799   2.340
   47    HB2  ARG   9           2HB      ARG   9  -2.389  -4.127   2.988
   48    HB3  ARG   9           1HB      ARG   9  -2.628  -4.062   1.242
   49    HG2  ARG   9           2HG      ARG   9  -0.330  -4.609   0.819
   50    HG3  ARG   9           1HG      ARG   9   0.095  -4.396   2.518
   51    HD2  ARG   9           2HD      ARG   9  -1.385  -6.310   3.113
   52    HD3  ARG   9           1HD      ARG   9  -1.727  -6.552   1.388
   53    HE   ARG   9           HE       ARG   9   1.061  -6.444   1.572
   54   HH11  ARG   9          1HH2      ARG   9  -1.518  -8.321   2.900
   55   HH12  ARG   9          2HH2      ARG   9  -0.563  -9.757   3.058
   56   HH21  ARG   9          1HH1      ARG   9   2.313  -8.312   1.775
   57   HH22  ARG   9          2HH1      ARG   9   1.603  -9.752   2.421
   58    H    TYR  10           H        TYR  10   0.979  -2.632   1.656
   59    HA   TYR  10           HA       TYR  10   1.645  -1.972   4.502
   60    HB2  TYR  10           2HB      TYR  10   3.026  -3.554   2.325
   61    HB3  TYR  10           1HB      TYR  10   3.789  -3.181   3.867
   62    HD1  TYR  10           2HD      TYR  10   0.519  -3.377   4.825
   63    HD2  TYR  10           1HD      TYR  10   3.614  -5.946   3.316
   64    HE1  TYR  10           2HE      TYR  10  -0.603  -5.331   5.851
   65    HE2  TYR  10           1HE      TYR  10   2.490  -7.900   4.345
   66    HH   TYR  10           HH       TYR  10   0.116  -7.641   6.667
   67    H    ARG  11           H        ARG  11   2.102  -0.901   1.214
   68    HA   ARG  11           HA       ARG  11   4.420   0.800   1.909
   69    HB2  ARG  11           2HB      ARG  11   2.770   0.462  -0.616
   70    HB3  ARG  11           1HB      ARG  11   4.296   1.343  -0.505
   71    HG2  ARG  11           2HG      ARG  11   5.441  -0.572  -0.764
   72    HG3  ARG  11           1HG      ARG  11   4.662  -1.244   0.669
   73    HD2  ARG  11           2HD      ARG  11   3.232  -2.509  -0.576
   74    HD3  ARG  11           1HD      ARG  11   2.923  -1.186  -1.718
   75    HE   ARG  11           HE       ARG  11   4.658  -2.041  -3.069
   76   HH11  ARG  11          1HH2      ARG  11   4.922  -3.141   0.196
   77   HH12  ARG  11          2HH2      ARG  11   6.269  -4.180  -0.128
   78   HH21  ARG  11          1HH1      ARG  11   6.416  -3.389  -3.500
   79   HH22  ARG  11          2HH1      ARG  11   7.115  -4.318  -2.218
   80    H    CYS  12           H        CYS  12   2.653   1.796   3.578
   81    HA   CYS  12           HA       CYS  12   0.804   3.735   2.412
   82    HB2  CYS  12           2HB      CYS  12   0.378   2.628   4.543
   83    HB3  CYS  12           1HB      CYS  12   1.889   3.250   5.202
   84    H    ARG  13           H        ARG  13   4.093   3.729   2.520
   85    HA   ARG  13           HA       ARG  13   5.724   5.440   2.366
   86    HB2  ARG  13           2HB      ARG  13   3.220   7.071   1.821
   87    HB3  ARG  13           1HB      ARG  13   4.862   7.503   1.348
   88    HG2  ARG  13           2HG      ARG  13   4.987   5.800  -0.262
   89    HG3  ARG  13           1HG      ARG  13   3.675   4.880   0.475
   90    HD2  ARG  13           2HD      ARG  13   3.054   6.095  -1.678
   91    HD3  ARG  13           1HD      ARG  13   2.029   6.496  -0.291
   92    HE   ARG  13           HE       ARG  13   4.179   8.223  -1.412
   93   HH11  ARG  13          1HH2      ARG  13   1.687   7.666   0.951
   94   HH12  ARG  13          2HH2      ARG  13   1.583   9.334   1.394
   95   HH21  ARG  13          1HH1      ARG  13   4.027  10.380  -0.816
   96   HH22  ARG  13          2HH1      ARG  13   2.896  10.858   0.407
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -3.658   6.544  -4.133
    2    HA2  GLY   1           2HA      GLY   1  -2.085   7.305  -2.345
    3    HA3  GLY   1           1HA      GLY   1  -3.395   7.035  -1.194
    4    H    CYS   2           H        CYS   2  -1.742   5.616  -0.125
    5    HA   CYS   2           HA       CYS   2  -1.706   2.895  -1.393
    6    HB2  CYS   2           2HB      CYS   2   0.379   4.600  -0.107
    7    HB3  CYS   2           1HB      CYS   2   0.471   2.863   0.179
    8    H    CYS   3           H        CYS   3  -2.011   4.803   1.564
    9    HA   CYS   3           HA       CYS   3  -2.136   2.624   3.431
   10    HB2  CYS   3           2HB      CYS   3  -2.980   5.506   3.316
   11    HB3  CYS   3           1HB      CYS   3  -3.470   4.518   4.693
   12    H    SER   4           H        SER   4  -4.380   3.757   1.062
   13    HA   SER   4           HA       SER   4  -6.620   2.301   2.424
   14    HB2  SER   4           2HB      SER   4  -6.398   4.640   0.549
   15    HB3  SER   4           1HB      SER   4  -7.895   3.713   0.599
   16    HG   SER   4           HG       SER   4  -7.979   5.383   2.108
   17    H    ASP   5           H        ASP   5  -4.513   2.321  -0.331
   18    HA   ASP   5           HA       ASP   5  -6.171   0.769  -2.136
   19    HB2  ASP   5           2HB      ASP   5  -3.965   2.265  -2.378
   20    HB3  ASP   5           1HB      ASP   5  -3.180   0.698  -2.175
   21    HA   PRO   6           HA       PRO   6  -5.406  -3.194  -0.346
   22    HB2  PRO   6           2HB      PRO   6  -5.999  -4.769  -2.498
   23    HB3  PRO   6           1HB      PRO   6  -7.240  -3.902  -1.573
   24    HG2  PRO   6           2HG      PRO   6  -6.126  -3.315  -4.237
   25    HG3  PRO   6           1HG      PRO   6  -7.713  -2.926  -3.562
   26    HD2  PRO   6           2HD      PRO   6  -5.529  -1.175  -3.847
   27    HD3  PRO   6           1HD      PRO   6  -7.020  -0.870  -2.939
   28    H    ARG   7           H        ARG   7  -3.776  -2.116  -3.221
   29    HA   ARG   7           HA       ARG   7  -1.830  -4.334  -3.252
   30    HB2  ARG   7           2HB      ARG   7  -1.702  -1.698  -4.734
   31    HB3  ARG   7           1HB      ARG   7  -1.058  -3.260  -5.237
   32    HG2  ARG   7           2HG      ARG   7  -3.594  -4.000  -5.076
   33    HG3  ARG   7           1HG      ARG   7  -3.886  -2.272  -5.288
   34    HD2  ARG   7           2HD      ARG   7  -2.199  -2.470  -7.280
   35    HD3  ARG   7           1HD      ARG   7  -2.565  -4.204  -7.189
   36    HE   ARG   7           HE       ARG   7  -5.030  -2.804  -7.053
   37   HH11  ARG   7          1HH2      ARG   7  -2.400  -3.363  -9.223
   38   HH12  ARG   7          2HH2      ARG   7  -3.378  -3.233 -10.646
   39   HH21  ARG   7          1HH1      ARG   7  -6.313  -2.635  -8.903
   40   HH22  ARG   7          2HH1      ARG   7  -5.589  -2.820 -10.465
   41    H    CYS   8           H        CYS   8  -2.102  -1.062  -2.022
   42    HA   CYS   8           HA       CYS   8   0.779  -1.004  -1.262
   43    HB2  CYS   8           2HB      CYS   8  -1.335   0.870  -1.960
   44    HB3  CYS   8           1HB      CYS   8  -0.547   1.333  -0.452
   45    H    ARG   9           H        ARG   9  -1.377  -2.693   0.043
   46    HA   ARG   9           HA       ARG   9  -2.396  -1.901   2.455
   47    HB2  ARG   9           2HB      ARG   9  -1.826  -4.233   3.216
   48    HB3  ARG   9           1HB      ARG   9  -2.535  -4.168   1.603
   49    HG2  ARG   9           2HG      ARG   9  -0.374  -4.394   0.560
   50    HG3  ARG   9           1HG      ARG   9   0.450  -4.209   2.108
   51    HD2  ARG   9           2HD      ARG   9   0.247  -6.614   1.303
   52    HD3  ARG   9           1HD      ARG   9  -0.456  -6.325   2.906
   53    HE   ARG   9           HE       ARG   9  -2.600  -6.676   1.971
   54   HH11  ARG   9          1HH2      ARG   9  -0.216  -6.051  -0.450
   55   HH12  ARG   9          2HH2      ARG   9  -1.287  -6.377  -1.771
   56   HH21  ARG   9          1HH1      ARG   9  -4.004  -7.099   0.257
   57   HH22  ARG   9          2HH1      ARG   9  -3.429  -6.968  -1.372
   58    H    TYR  10           H        TYR  10   1.073  -2.478   1.821
   59    HA   TYR  10           HA       TYR  10   1.630  -1.308   4.530
   60    HB2  TYR  10           2HB      TYR  10   2.796  -3.652   3.039
   61    HB3  TYR  10           1HB      TYR  10   3.713  -2.851   4.314
   62    HD1  TYR  10           1HD      TYR  10   2.256  -2.341   6.516
   63    HD2  TYR  10           2HD      TYR  10   1.453  -5.436   3.652
   64    HE1  TYR  10           1HE      TYR  10   0.963  -3.587   8.229
   65    HE2  TYR  10           2HE      TYR  10   0.159  -6.686   5.363
   66    HH   TYR  10           HH       TYR  10  -0.390  -6.799   7.530
   67    H    ARG  11           H        ARG  11   2.318  -1.278   1.131
   68    HA   ARG  11           HA       ARG  11   4.833   0.210   1.370
   69    HB2  ARG  11           2HB      ARG  11   2.982  -0.280  -0.984
   70    HB3  ARG  11           1HB      ARG  11   4.664   0.241  -1.080
   71    HG2  ARG  11           2HG      ARG  11   5.485  -1.841  -0.550
   72    HG3  ARG  11           1HG      ARG  11   4.105  -2.240   0.474
   73    HD2  ARG  11           2HD      ARG  11   2.911  -3.127  -1.268
   74    HD3  ARG  11           1HD      ARG  11   3.484  -1.896  -2.411
   75    HE   ARG  11           HE       ARG  11   4.795  -4.451  -1.861
   76   HH11  ARG  11          1HH2      ARG  11   5.162  -1.156  -2.834
   77   HH12  ARG  11          2HH2      ARG  11   6.625  -1.444  -3.714
   78   HH21  ARG  11          1HH1      ARG  11   6.702  -4.837  -3.006
   79   HH22  ARG  11          2HH1      ARG  11   7.496  -3.525  -3.812
   80    H    CYS  12           H        CYS  12   2.743   1.523   2.805
   81    HA   CYS  12           HA       CYS  12   1.823   3.750   1.091
   82    HB2  CYS  12           2HB      CYS  12   0.427   2.586   2.816
   83    HB3  CYS  12           1HB      CYS  12   1.484   3.248   4.059
   84    H    ARG  13           H        ARG  13   3.274   5.326   0.735
   85    HA   ARG  13           HA       ARG  13   5.663   5.846   2.161
   86    HB2  ARG  13           2HB      ARG  13   4.109   6.921   0.009
   87    HB3  ARG  13           1HB      ARG  13   4.615   8.259   1.041
   88    HG2  ARG  13           2HG      ARG  13   6.949   7.509   0.907
   89    HG3  ARG  13           1HG      ARG  13   6.460   6.130  -0.081
   90    HD2  ARG  13           2HD      ARG  13   5.883   7.504  -1.925
   91    HD3  ARG  13           1HD      ARG  13   5.833   8.969  -0.924
   92    HE   ARG  13           HE       ARG  13   8.226   7.804  -2.069
   93   HH11  ARG  13          1HH2      ARG  13   6.907   9.430   0.679
   94   HH12  ARG  13          2HH2      ARG  13   8.415  10.147   1.138
   95   HH21  ARG  13          1HH1      ARG  13  10.195   8.735  -1.479
   96   HH22  ARG  13          2HH1      ARG  13  10.274   9.754  -0.081
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -5.360   7.338  -1.921
    2    HA2  GLY   1           2HA      GLY   1  -2.464   7.358  -1.891
    3    HA3  GLY   1           1HA      GLY   1  -3.507   7.292  -0.471
    4    H    CYS   2           H        CYS   2  -1.243   5.738  -0.470
    5    HA   CYS   2           HA       CYS   2  -1.745   3.043  -1.464
    6    HB2  CYS   2           2HB      CYS   2   0.281   4.523   0.152
    7    HB3  CYS   2           1HB      CYS   2   0.245   2.769   0.322
    8    H    CYS   3           H        CYS   3  -1.783   4.573   1.766
    9    HA   CYS   3           HA       CYS   3  -2.410   2.356   3.358
   10    HB2  CYS   3           2HB      CYS   3  -2.936   5.296   3.395
   11    HB3  CYS   3           1HB      CYS   3  -3.773   4.304   4.588
   12    H    SER   4           H        SER   4  -4.543   4.221   1.233
   13    HA   SER   4           HA       SER   4  -6.929   2.735   2.179
   14    HB2  SER   4           2HB      SER   4  -6.502   5.286   1.345
   15    HB3  SER   4           1HB      SER   4  -7.021   4.552  -0.170
   16    HG   SER   4           HG       SER   4  -8.803   5.299   1.023
   17    H    ASP   5           H        ASP   5  -4.443   2.061   0.114
   18    HA   ASP   5           HA       ASP   5  -6.136   0.795  -1.992
   19    HB2  ASP   5           2HB      ASP   5  -3.951   2.321  -2.189
   20    HB3  ASP   5           1HB      ASP   5  -3.143   0.771  -1.964
   21    HA   PRO   6           HA       PRO   6  -5.345  -3.168  -0.209
   22    HB2  PRO   6           2HB      PRO   6  -5.899  -4.734  -2.379
   23    HB3  PRO   6           1HB      PRO   6  -7.159  -3.887  -1.460
   24    HG2  PRO   6           2HG      PRO   6  -6.024  -3.270  -4.108
   25    HG3  PRO   6           1HG      PRO   6  -7.623  -2.902  -3.446
   26    HD2  PRO   6           2HD      PRO   6  -5.451  -1.129  -3.698
   27    HD3  PRO   6           1HD      PRO   6  -6.957  -0.841  -2.810
   28    H    ARG   7           H        ARG   7  -3.829  -2.265  -3.261
   29    HA   ARG   7           HA       ARG   7  -1.828  -4.385  -3.240
   30    HB2  ARG   7           2HB      ARG   7  -1.729  -1.711  -4.659
   31    HB3  ARG   7           1HB      ARG   7  -1.030  -3.241  -5.187
   32    HG2  ARG   7           2HG      ARG   7  -3.549  -4.060  -5.056
   33    HG3  ARG   7           1HG      ARG   7  -3.884  -2.340  -5.255
   34    HD2  ARG   7           2HD      ARG   7  -2.334  -2.368  -7.269
   35    HD3  ARG   7           1HD      ARG   7  -2.322  -4.138  -7.133
   36    HE   ARG   7           HE       ARG   7  -5.016  -3.457  -7.011
   37   HH11  ARG   7          1HH2      ARG   7  -2.378  -2.910  -9.175
   38   HH12  ARG   7          2HH2      ARG   7  -3.382  -2.843 -10.584
   39   HH21  ARG   7          1HH1      ARG   7  -6.331  -3.370  -8.842
   40   HH22  ARG   7          2HH1      ARG   7  -5.617  -3.101 -10.397
   41    H    CYS   8           H        CYS   8  -1.987  -1.015  -2.152
   42    HA   CYS   8           HA       CYS   8   0.850  -1.033  -1.298
   43    HB2  CYS   8           2HB      CYS   8  -1.216   0.855  -1.999
   44    HB3  CYS   8           1HB      CYS   8  -0.577   1.250  -0.404
   45    H    ARG   9           H        ARG   9  -1.180  -2.839  -0.044
   46    HA   ARG   9           HA       ARG   9  -2.248  -2.107   2.390
   47    HB2  ARG   9           2HB      ARG   9  -1.505  -4.493   3.068
   48    HB3  ARG   9           1HB      ARG   9  -2.494  -4.333   1.617
   49    HG2  ARG   9           2HG      ARG   9   0.269  -4.003   0.899
   50    HG3  ARG   9           1HG      ARG   9   0.093  -5.488   1.833
   51    HD2  ARG   9           2HD      ARG   9  -2.100  -5.623   0.174
   52    HD3  ARG   9           1HD      ARG   9  -0.885  -4.868  -0.878
   53    HE   ARG   9           HE       ARG   9  -0.776  -7.588   0.144
   54   HH11  ARG   9          1HH2      ARG   9   1.053  -4.800  -0.755
   55   HH12  ARG   9          2HH2      ARG   9   2.477  -5.703  -1.148
   56   HH21  ARG   9          1HH1      ARG   9   1.073  -8.775  -0.364
   57   HH22  ARG   9          2HH1      ARG   9   2.489  -7.951  -0.929
   58    H    TYR  10           H        TYR  10   1.205  -2.558   1.687
   59    HA   TYR  10           HA       TYR  10   1.778  -1.628   4.484
   60    HB2  TYR  10           2HB      TYR  10   3.011  -3.728   2.715
   61    HB3  TYR  10           1HB      TYR  10   3.950  -3.002   4.020
   62    HD1  TYR  10           2HD      TYR  10   2.454  -2.737   6.297
   63    HD2  TYR  10           1HD      TYR  10   1.941  -5.714   3.248
   64    HE1  TYR  10           2HE      TYR  10   1.331  -4.220   7.938
   65    HE2  TYR  10           1HE      TYR  10   0.818  -7.202   4.886
   66    HH   TYR  10           HH       TYR  10   1.029  -7.250   7.769
   67    H    ARG  11           H        ARG  11   2.482  -1.309   1.078
   68    HA   ARG  11           HA       ARG  11   4.852   0.356   1.434
   69    HB2  ARG  11           2HB      ARG  11   3.146  -0.730  -0.734
   70    HB3  ARG  11           1HB      ARG  11   4.005   0.763  -1.116
   71    HG2  ARG  11           2HG      ARG  11   5.855  -0.460  -1.474
   72    HG3  ARG  11           1HG      ARG  11   5.866  -0.866   0.241
   73    HD2  ARG  11           2HD      ARG  11   3.938  -2.581  -0.723
   74    HD3  ARG  11           1HD      ARG  11   5.103  -2.535  -2.062
   75    HE   ARG  11           HE       ARG  11   6.494  -2.722   0.450
   76   HH11  ARG  11          1HH2      ARG  11   4.588  -4.509  -1.810
   77   HH12  ARG  11          2HH2      ARG  11   5.301  -6.032  -1.403
   78   HH21  ARG  11          1HH1      ARG  11   7.427  -4.705   0.991
   79   HH22  ARG  11          2HH1      ARG  11   6.906  -6.144   0.181
   80    H    CYS  12           H        CYS  12   2.812   1.475   3.009
   81    HA   CYS  12           HA       CYS  12   1.635   3.709   1.465
   82    HB2  CYS  12           2HB      CYS  12   0.397   2.417   3.189
   83    HB3  CYS  12           1HB      CYS  12   1.520   3.004   4.411
   84    H    ARG  13           H        ARG  13   2.990   5.382   1.086
   85    HA   ARG  13           HA       ARG  13   5.267   5.996   2.825
   86    HB2  ARG  13           2HB      ARG  13   4.275   6.574   0.166
   87    HB3  ARG  13           1HB      ARG  13   4.796   8.061   0.960
   88    HG2  ARG  13           2HG      ARG  13   6.977   7.461   0.912
   89    HG3  ARG  13           1HG      ARG  13   6.623   5.799   1.383
   90    HD2  ARG  13           2HD      ARG  13   6.498   5.072  -0.793
   91    HD3  ARG  13           1HD      ARG  13   5.780   6.594  -1.362
   92    HE   ARG  13           HE       ARG  13   8.484   7.017  -0.435
   93   HH11  ARG  13          1HH2      ARG  13   6.563   5.788  -3.029
   94   HH12  ARG  13          2HH2      ARG  13   7.771   6.084  -4.234
   95   HH21  ARG  13          1HH1      ARG  13  10.064   7.407  -1.998
   96   HH22  ARG  13          2HH1      ARG  13   9.749   7.000  -3.652
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -5.581   6.092  -1.429
    2    HA2  GLY   1           2HA      GLY   1  -2.917   7.019  -2.328
    3    HA3  GLY   1           1HA      GLY   1  -3.296   7.221  -0.616
    4    H    CYS   2           H        CYS   2  -1.242   5.669  -0.812
    5    HA   CYS   2           HA       CYS   2  -1.740   2.882  -1.437
    6    HB2  CYS   2           2HB      CYS   2   0.378   4.580  -0.197
    7    HB3  CYS   2           1HB      CYS   2   0.444   2.849   0.135
    8    H    CYS   3           H        CYS   3  -2.162   4.871   1.432
    9    HA   CYS   3           HA       CYS   3  -2.277   2.708   3.348
   10    HB2  CYS   3           2HB      CYS   3  -3.104   5.600   3.209
   11    HB3  CYS   3           1HB      CYS   3  -3.565   4.620   4.602
   12    H    SER   4           H        SER   4  -4.584   4.184   1.150
   13    HA   SER   4           HA       SER   4  -6.796   2.577   2.354
   14    HB2  SER   4           2HB      SER   4  -8.141   4.118   0.802
   15    HB3  SER   4           1HB      SER   4  -7.310   4.899   2.145
   16    HG   SER   4           HG       SER   4  -7.010   5.908   0.048
   17    H    ASP   5           H        ASP   5  -4.502   1.793   0.353
   18    HA   ASP   5           HA       ASP   5  -6.296   0.692  -1.787
   19    HB2  ASP   5           2HB      ASP   5  -4.208   2.332  -2.114
   20    HB3  ASP   5           1HB      ASP   5  -3.316   0.812  -2.034
   21    HA   PRO   6           HA       PRO   6  -5.194  -3.278  -0.223
   22    HB2  PRO   6           2HB      PRO   6  -5.884  -4.801  -2.384
   23    HB3  PRO   6           1HB      PRO   6  -7.086  -4.030  -1.331
   24    HG2  PRO   6           2HG      PRO   6  -6.216  -3.292  -4.047
   25    HG3  PRO   6           1HG      PRO   6  -7.762  -3.007  -3.236
   26    HD2  PRO   6           2HD      PRO   6  -5.688  -1.142  -3.617
   27    HD3  PRO   6           1HD      PRO   6  -7.116  -0.943  -2.589
   28    H    ARG   7           H        ARG   7  -3.957  -2.200  -3.340
   29    HA   ARG   7           HA       ARG   7  -1.924  -4.268  -3.603
   30    HB2  ARG   7           2HB      ARG   7  -1.977  -1.495  -4.827
   31    HB3  ARG   7           1HB      ARG   7  -1.264  -2.959  -5.506
   32    HG2  ARG   7           2HG      ARG   7  -3.794  -3.825  -5.206
   33    HG3  ARG   7           1HG      ARG   7  -4.115  -2.104  -5.420
   34    HD2  ARG   7           2HD      ARG   7  -2.743  -2.135  -7.509
   35    HD3  ARG   7           1HD      ARG   7  -2.550  -3.889  -7.317
   36    HE   ARG   7           HE       ARG   7  -5.334  -3.079  -7.141
   37   HH11  ARG   7          1HH2      ARG   7  -2.698  -3.783  -9.256
   38   HH12  ARG   7          2HH2      ARG   7  -3.713  -4.281 -10.566
   39   HH21  ARG   7          1HH1      ARG   7  -6.670  -3.733  -8.840
   40   HH22  ARG   7          2HH1      ARG   7  -5.960  -4.252 -10.332
   41    H    CYS   8           H        CYS   8  -2.135  -1.119  -2.067
   42    HA   CYS   8           HA       CYS   8   0.785  -1.147  -1.433
   43    HB2  CYS   8           2HB      CYS   8  -1.286   0.807  -1.983
   44    HB3  CYS   8           1HB      CYS   8  -0.503   1.147  -0.441
   45    H    ARG   9           H        ARG   9  -0.946  -3.036  -0.148
   46    HA   ARG   9           HA       ARG   9  -2.185  -2.600   2.222
   47    HB2  ARG   9           2HB      ARG   9  -0.926  -4.695   3.013
   48    HB3  ARG   9           1HB      ARG   9  -1.776  -4.817   1.475
   49    HG2  ARG   9           2HG      ARG   9   0.728  -3.863   0.730
   50    HG3  ARG   9           1HG      ARG   9   1.094  -4.996   2.032
   51    HD2  ARG   9           2HD      ARG   9   0.054  -6.807   0.895
   52    HD3  ARG   9           1HD      ARG   9  -0.784  -5.725  -0.226
   53    HE   ARG   9           HE       ARG   9   1.451  -5.121  -1.167
   54   HH11  ARG   9          1HH2      ARG   9   1.244  -7.992   0.808
   55   HH12  ARG   9          2HH2      ARG   9   2.643  -8.704   0.095
   56   HH21  ARG   9          1HH1      ARG   9   3.258  -6.075  -2.059
   57   HH22  ARG   9          2HH1      ARG   9   3.775  -7.634  -1.512
   58    H    TYR  10           H        TYR  10   1.416  -2.779   2.071
   59    HA   TYR  10           HA       TYR  10   1.439  -1.109   4.565
   60    HB2  TYR  10           2HB      TYR  10   2.898  -3.583   3.706
   61    HB3  TYR  10           1HB      TYR  10   3.673  -2.478   4.837
   62    HD1  TYR  10           1HD      TYR  10   0.630  -4.529   4.254
   63    HD2  TYR  10           2HD      TYR  10   2.972  -2.352   7.123
   64    HE1  TYR  10           1HE      TYR  10  -0.755  -5.458   6.089
   65    HE2  TYR  10           2HE      TYR  10   1.586  -3.282   8.957
   66    HH   TYR  10           HH       TYR  10  -0.482  -5.900   8.554
   67    H    ARG  11           H        ARG  11   2.298  -1.196   1.327
   68    HA   ARG  11           HA       ARG  11   4.870   0.199   1.539
   69    HB2  ARG  11           2HB      ARG  11   2.979  -0.275  -0.786
   70    HB3  ARG  11           1HB      ARG  11   4.663   0.237  -0.916
   71    HG2  ARG  11           2HG      ARG  11   5.469  -1.832  -0.070
   72    HG3  ARG  11           1HG      ARG  11   3.872  -2.303   0.516
   73    HD2  ARG  11           2HD      ARG  11   4.476  -3.488  -1.602
   74    HD3  ARG  11           1HD      ARG  11   3.055  -2.447  -1.817
   75    HE   ARG  11           HE       ARG  11   5.262  -0.808  -2.355
   76   HH11  ARG  11          1HH2      ARG  11   3.907  -3.756  -3.540
   77   HH12  ARG  11          2HH2      ARG  11   4.471  -3.515  -5.157
   78   HH21  ARG  11          1HH1      ARG  11   6.006  -0.486  -4.464
   79   HH22  ARG  11          2HH1      ARG  11   5.658  -1.668  -5.682
   80    H    CYS  12           H        CYS  12   2.734   1.576   2.938
   81    HA   CYS  12           HA       CYS  12   1.913   3.826   1.211
   82    HB2  CYS  12           2HB      CYS  12   0.634   2.592   3.146
   83    HB3  CYS  12           1HB      CYS  12   1.584   3.641   4.198
   84    H    ARG  13           H        ARG  13   4.745   3.027   2.658
   85    HA   ARG  13           HA       ARG  13   6.536   4.256   3.630
   86    HB2  ARG  13           2HB      ARG  13   5.375   6.033   1.463
   87    HB3  ARG  13           1HB      ARG  13   6.976   6.259   2.169
   88    HG2  ARG  13           2HG      ARG  13   6.591   3.497   1.371
   89    HG3  ARG  13           1HG      ARG  13   6.317   4.585   0.009
   90    HD2  ARG  13           2HD      ARG  13   8.583   5.642   1.262
   91    HD3  ARG  13           1HD      ARG  13   8.831   3.885   1.310
   92    HE   ARG  13           HE       ARG  13   7.803   4.548  -1.255
   93   HH11  ARG  13          1HH2      ARG  13  10.596   5.015   0.721
   94   HH12  ARG  13          2HH2      ARG  13  11.681   5.148  -0.620
   95   HH21  ARG  13          1HH1      ARG  13   9.211   4.726  -3.012
   96   HH22  ARG  13          2HH1      ARG  13  10.899   4.990  -2.731
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -5.540   6.593  -3.286
    2    HA2  GLY   1           2HA      GLY   1  -2.805   7.353  -2.381
    3    HA3  GLY   1           1HA      GLY   1  -4.202   7.149  -1.325
    4    H    CYS   2           H        CYS   2  -1.822   5.830  -0.719
    5    HA   CYS   2           HA       CYS   2  -2.188   3.027  -1.656
    6    HB2  CYS   2           2HB      CYS   2  -0.019   4.712  -0.510
    7    HB3  CYS   2           1HB      CYS   2   0.021   2.995  -0.117
    8    H    CYS   3           H        CYS   3  -1.905   4.883   1.385
    9    HA   CYS   3           HA       CYS   3  -2.200   2.816   3.255
   10    HB2  CYS   3           2HB      CYS   3  -2.924   5.719   3.083
   11    HB3  CYS   3           1HB      CYS   3  -3.464   4.803   4.490
   12    H    SER   4           H        SER   4  -4.547   4.083   1.027
   13    HA   SER   4           HA       SER   4  -6.751   2.619   2.435
   14    HB2  SER   4           2HB      SER   4  -6.924   5.093   1.935
   15    HB3  SER   4           1HB      SER   4  -6.868   4.690   0.221
   16    HG   SER   4           HG       SER   4  -8.705   3.274   0.705
   17    H    ASP   5           H        ASP   5  -4.497   2.025   0.153
   18    HA   ASP   5           HA       ASP   5  -6.356   0.657  -1.754
   19    HB2  ASP   5           2HB      ASP   5  -4.355   2.361  -2.245
   20    HB3  ASP   5           1HB      ASP   5  -3.394   0.888  -2.138
   21    HA   PRO   6           HA       PRO   6  -4.991  -3.199  -0.101
   22    HB2  PRO   6           2HB      PRO   6  -5.714  -4.829  -2.174
   23    HB3  PRO   6           1HB      PRO   6  -6.894  -4.080  -1.083
   24    HG2  PRO   6           2HG      PRO   6  -6.224  -3.409  -3.867
   25    HG3  PRO   6           1HG      PRO   6  -7.721  -3.139  -2.966
   26    HD2  PRO   6           2HD      PRO   6  -5.715  -1.238  -3.549
   27    HD3  PRO   6           1HD      PRO   6  -7.110  -1.023  -2.476
   28    H    ARG   7           H        ARG   7  -3.929  -2.124  -3.266
   29    HA   ARG   7           HA       ARG   7  -1.849  -4.104  -3.667
   30    HB2  ARG   7           2HB      ARG   7  -2.000  -1.264  -4.716
   31    HB3  ARG   7           1HB      ARG   7  -1.268  -2.662  -5.503
   32    HG2  ARG   7           2HG      ARG   7  -3.700  -3.667  -5.282
   33    HG3  ARG   7           1HG      ARG   7  -4.167  -1.971  -5.185
   34    HD2  ARG   7           2HD      ARG   7  -2.265  -2.265  -7.321
   35    HD3  ARG   7           1HD      ARG   7  -3.569  -3.449  -7.539
   36    HE   ARG   7           HE       ARG   7  -4.853  -1.088  -6.770
   37   HH11  ARG   7          1HH2      ARG   7  -2.722  -2.124  -9.283
   38   HH12  ARG   7          2HH2      ARG   7  -3.354  -1.015 -10.452
   39   HH21  ARG   7          1HH1      ARG   7  -5.674   0.369  -8.283
   40   HH22  ARG   7          2HH1      ARG   7  -5.019   0.401  -9.886
   41    H    CYS   8           H        CYS   8  -2.100  -1.062  -1.955
   42    HA   CYS   8           HA       CYS   8   0.834  -1.049  -1.367
   43    HB2  CYS   8           2HB      CYS   8  -1.383   0.889  -1.594
   44    HB3  CYS   8           1HB      CYS   8  -0.297   1.181  -0.241
   45    H    ARG   9           H        ARG   9  -0.963  -3.000  -0.186
   46    HA   ARG   9           HA       ARG   9  -2.138  -2.728   2.220
   47    HB2  ARG   9           2HB      ARG   9  -1.006  -4.907   2.827
   48    HB3  ARG   9           1HB      ARG   9  -1.711  -4.869   1.211
   49    HG2  ARG   9           2HG      ARG   9   0.739  -3.964   0.600
   50    HG3  ARG   9           1HG      ARG   9   1.155  -4.910   2.028
   51    HD2  ARG   9           2HD      ARG   9  -0.645  -6.493   0.486
   52    HD3  ARG   9           1HD      ARG   9   0.588  -5.865  -0.617
   53    HE   ARG   9           HE       ARG   9   2.297  -6.920   0.710
   54   HH11  ARG   9          1HH2      ARG   9  -0.905  -7.340   2.000
   55   HH12  ARG   9          2HH2      ARG   9  -0.431  -8.617   3.063
   56   HH21  ARG   9          1HH1      ARG   9   2.897  -8.567   2.110
   57   HH22  ARG   9          2HH1      ARG   9   1.708  -9.304   3.131
   58    H    TYR  10           H        TYR  10   1.462  -2.841   1.990
   59    HA   TYR  10           HA       TYR  10   1.508  -1.445   4.651
   60    HB2  TYR  10           2HB      TYR  10   3.041  -3.754   3.488
   61    HB3  TYR  10           1HB      TYR  10   3.787  -2.756   4.737
   62    HD1  TYR  10           2HD      TYR  10   2.597  -2.443   6.940
   63    HD2  TYR  10           1HD      TYR  10   1.356  -5.342   4.028
   64    HE1  TYR  10           2HE      TYR  10   1.299  -3.635   8.686
   65    HE2  TYR  10           1HE      TYR  10   0.056  -6.537   5.773
   66    HH   TYR  10           HH       TYR  10  -0.459  -6.643   7.928
   67    H    ARG  11           H        ARG  11   2.597  -1.499   1.375
   68    HA   ARG  11           HA       ARG  11   4.865   0.322   1.872
   69    HB2  ARG  11           2HB      ARG  11   5.190   0.043  -0.540
   70    HB3  ARG  11           1HB      ARG  11   4.876  -1.524   0.203
   71    HG2  ARG  11           2HG      ARG  11   2.361  -0.354  -0.494
   72    HG3  ARG  11           1HG      ARG  11   3.419  -0.261  -1.902
   73    HD2  ARG  11           2HD      ARG  11   3.665  -2.849  -0.577
   74    HD3  ARG  11           1HD      ARG  11   1.994  -2.522  -1.069
   75    HE   ARG  11           HE       ARG  11   2.697  -2.452  -3.343
   76   HH11  ARG  11          1HH2      ARG  11   5.369  -2.587  -1.146
   77   HH12  ARG  11          2HH2      ARG  11   6.534  -2.871  -2.389
   78   HH21  ARG  11          1HH1      ARG  11   4.222  -2.836  -4.959
   79   HH22  ARG  11          2HH1      ARG  11   5.892  -3.012  -4.535
   80    H    CYS  12           H        CYS  12   3.046   1.825   2.892
   81    HA   CYS  12           HA       CYS  12   1.519   3.358   0.877
   82    HB2  CYS  12           2HB      CYS  12   0.600   2.683   3.104
   83    HB3  CYS  12           1HB      CYS  12   1.829   3.680   3.883
   84    H    ARG  13           H        ARG  13   4.663   3.384   1.857
   85    HA   ARG  13           HA       ARG  13   4.948   6.271   1.173
   86    HB2  ARG  13           2HB      ARG  13   5.909   4.845   3.664
   87    HB3  ARG  13           1HB      ARG  13   6.555   6.404   3.152
   88    HG2  ARG  13           2HG      ARG  13   4.259   7.348   3.190
   89    HG3  ARG  13           1HG      ARG  13   3.648   5.797   3.767
   90    HD2  ARG  13           2HD      ARG  13   5.856   6.535   5.434
   91    HD3  ARG  13           1HD      ARG  13   4.750   7.920   5.331
   92    HE   ARG  13           HE       ARG  13   4.162   5.427   6.653
   93   HH11  ARG  13          1HH2      ARG  13   2.847   7.881   4.610
   94   HH12  ARG  13          2HH2      ARG  13   1.216   7.629   5.138
   95   HH21  ARG  13          1HH1      ARG  13   2.037   5.086   7.346
   96   HH22  ARG  13          2HH1      ARG  13   0.758   6.049   6.683
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -4.942   6.557  -1.295
    2    HA2  GLY   1           2HA      GLY   1  -2.728   7.352  -3.115
    3    HA3  GLY   1           1HA      GLY   1  -2.488   7.527  -1.375
    4    H    CYS   2           H        CYS   2  -1.592   5.799  -0.368
    5    HA   CYS   2           HA       CYS   2  -1.967   3.095  -1.608
    6    HB2  CYS   2           2HB      CYS   2   0.457   4.643  -0.828
    7    HB3  CYS   2           1HB      CYS   2   0.487   2.907  -0.525
    8    H    CYS   3           H        CYS   3  -2.490   4.983   1.101
    9    HA   CYS   3           HA       CYS   3  -1.923   2.910   3.122
   10    HB2  CYS   3           2HB      CYS   3  -2.859   5.745   3.002
   11    HB3  CYS   3           1HB      CYS   3  -3.279   4.810   4.438
   12    H    SER   4           H        SER   4  -4.589   3.981   1.149
   13    HA   SER   4           HA       SER   4  -6.474   2.267   2.732
   14    HB2  SER   4           2HB      SER   4  -7.087   4.632   2.566
   15    HB3  SER   4           1HB      SER   4  -6.903   4.581   0.815
   16    HG   SER   4           HG       SER   4  -9.019   3.908   2.325
   17    H    ASP   5           H        ASP   5  -4.453   1.720   0.396
   18    HA   ASP   5           HA       ASP   5  -6.399   0.526  -1.544
   19    HB2  ASP   5           2HB      ASP   5  -4.390   2.248  -1.993
   20    HB3  ASP   5           1HB      ASP   5  -3.454   0.754  -2.028
   21    HA   PRO   6           HA       PRO   6  -4.973  -3.426  -0.180
   22    HB2  PRO   6           2HB      PRO   6  -5.639  -4.942  -2.353
   23    HB3  PRO   6           1HB      PRO   6  -6.848  -4.283  -1.237
   24    HG2  PRO   6           2HG      PRO   6  -6.155  -3.437  -3.967
   25    HG3  PRO   6           1HG      PRO   6  -7.669  -3.250  -3.073
   26    HD2  PRO   6           2HD      PRO   6  -5.698  -1.278  -3.516
   27    HD3  PRO   6           1HD      PRO   6  -7.109  -1.156  -2.450
   28    H    ARG   7           H        ARG   7  -4.053  -2.468  -3.485
   29    HA   ARG   7           HA       ARG   7  -1.830  -4.277  -3.769
   30    HB2  ARG   7           2HB      ARG   7  -2.136  -1.512  -4.972
   31    HB3  ARG   7           1HB      ARG   7  -1.344  -2.917  -5.687
   32    HG2  ARG   7           2HG      ARG   7  -3.728  -4.019  -5.392
   33    HG3  ARG   7           1HG      ARG   7  -4.270  -2.340  -5.392
   34    HD2  ARG   7           2HD      ARG   7  -2.338  -2.726  -7.510
   35    HD3  ARG   7           1HD      ARG   7  -3.654  -3.907  -7.662
   36    HE   ARG   7           HE       ARG   7  -4.824  -1.409  -6.997
   37   HH11  ARG   7          1HH2      ARG   7  -3.040  -2.932  -9.534
   38   HH12  ARG   7          2HH2      ARG   7  -3.745  -1.964 -10.784
   39   HH21  ARG   7          1HH1      ARG   7  -5.749  -0.143  -8.622
   40   HH22  ARG   7          2HH1      ARG   7  -5.276  -0.389 -10.270
   41    H    CYS   8           H        CYS   8  -2.230  -1.110  -2.305
   42    HA   CYS   8           HA       CYS   8   0.690  -0.943  -1.689
   43    HB2  CYS   8           2HB      CYS   8  -1.605   0.881  -2.088
   44    HB3  CYS   8           1HB      CYS   8  -0.488   1.348  -0.812
   45    H    ARG   9           H        ARG   9  -0.999  -2.844  -0.302
   46    HA   ARG   9           HA       ARG   9  -2.219  -2.334   2.054
   47    HB2  ARG   9           2HB      ARG   9  -0.748  -4.310   2.956
   48    HB3  ARG   9           1HB      ARG   9  -1.804  -4.580   1.574
   49    HG2  ARG   9           2HG      ARG   9   0.571  -3.669   0.417
   50    HG3  ARG   9           1HG      ARG   9   1.109  -4.707   1.732
   51    HD2  ARG   9           2HD      ARG   9  -0.798  -5.456  -0.509
   52    HD3  ARG   9           1HD      ARG   9   0.811  -6.135  -0.190
   53    HE   ARG   9           HE       ARG   9  -0.843  -6.373   2.154
   54   HH11  ARG   9          1HH2      ARG   9  -0.302  -7.656  -1.008
   55   HH12  ARG   9          2HH2      ARG   9  -0.907  -9.229  -0.612
   56   HH21  ARG   9          1HH1      ARG   9  -1.634  -8.417   2.678
   57   HH22  ARG   9          2HH1      ARG   9  -1.659  -9.661   1.473
   58    H    TYR  10           H        TYR  10   1.112  -3.178   2.795
   59    HA   TYR  10           HA       TYR  10   1.176  -1.034   4.815
   60    HB2  TYR  10           2HB      TYR  10   2.781  -3.467   4.087
   61    HB3  TYR  10           1HB      TYR  10   3.462  -2.277   5.195
   62    HD1  TYR  10           2HD      TYR  10   0.210  -4.065   4.612
   63    HD2  TYR  10           1HD      TYR  10   3.056  -2.584   7.470
   64    HE1  TYR  10           2HE      TYR  10  -1.146  -5.019   6.457
   65    HE2  TYR  10           1HE      TYR  10   1.700  -3.537   9.315
   66    HH   TYR  10           HH       TYR  10  -0.001  -5.462   9.536
   67    H    ARG  11           H        ARG  11   2.498  -1.647   1.646
   68    HA   ARG  11           HA       ARG  11   4.751   0.183   1.875
   69    HB2  ARG  11           2HB      ARG  11   4.901  -0.227  -0.546
   70    HB3  ARG  11           1HB      ARG  11   4.603  -1.742   0.308
   71    HG2  ARG  11           2HG      ARG  11   2.065  -1.092  -0.115
   72    HG3  ARG  11           1HG      ARG  11   2.761  -0.156  -1.438
   73    HD2  ARG  11           2HD      ARG  11   3.518  -3.056  -1.030
   74    HD3  ARG  11           1HD      ARG  11   2.089  -2.596  -1.978
   75    HE   ARG  11           HE       ARG  11   4.371  -1.017  -2.762
   76   HH11  ARG  11          1HH2      ARG  11   2.917  -4.141  -3.001
   77   HH12  ARG  11          2HH2      ARG  11   3.644  -4.505  -4.530
   78   HH21  ARG  11          1HH1      ARG  11   5.326  -1.483  -4.757
   79   HH22  ARG  11          2HH1      ARG  11   5.004  -3.003  -5.522
   80    H    CYS  12           H        CYS  12   3.195   1.920   2.866
   81    HA   CYS  12           HA       CYS  12   1.582   3.377   0.856
   82    HB2  CYS  12           2HB      CYS  12   1.025   2.910   3.332
   83    HB3  CYS  12           1HB      CYS  12   2.192   4.180   3.701
   84    H    ARG  13           H        ARG  13   4.634   3.171   0.820
   85    HA   ARG  13           HA       ARG  13   6.097   5.369   1.547
   86    HB2  ARG  13           2HB      ARG  13   5.992   4.312  -1.292
   87    HB3  ARG  13           1HB      ARG  13   7.390   4.993  -0.460
   88    HG2  ARG  13           2HG      ARG  13   7.928   2.912   0.200
   89    HG3  ARG  13           1HG      ARG  13   6.472   2.913   1.197
   90    HD2  ARG  13           2HD      ARG  13   6.600   0.978  -0.442
   91    HD3  ARG  13           1HD      ARG  13   5.153   1.988  -0.638
   92    HE   ARG  13           HE       ARG  13   7.445   2.895  -2.219
   93   HH11  ARG  13          1HH2      ARG  13   4.648   0.875  -2.035
   94   HH12  ARG  13          2HH2      ARG  13   4.443   0.785  -3.751
   95   HH21  ARG  13          1HH1      ARG  13   7.182   2.784  -4.459
   96   HH22  ARG  13          2HH1      ARG  13   5.872   1.864  -5.121
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -3.974   7.672  -3.996
    2    HA2  GLY   1           2HA      GLY   1  -2.288   7.274  -2.131
    3    HA3  GLY   1           1HA      GLY   1  -3.926   6.840  -1.635
    4    H    CYS   2           H        CYS   2  -1.737   5.593  -0.438
    5    HA   CYS   2           HA       CYS   2  -1.829   2.839  -1.630
    6    HB2  CYS   2           2HB      CYS   2   0.311   4.540  -0.432
    7    HB3  CYS   2           1HB      CYS   2   0.398   2.805  -0.128
    8    H    CYS   3           H        CYS   3  -2.032   4.796   1.302
    9    HA   CYS   3           HA       CYS   3  -2.107   2.667   3.218
   10    HB2  CYS   3           2HB      CYS   3  -2.989   5.534   3.044
   11    HB3  CYS   3           1HB      CYS   3  -3.460   4.578   4.450
   12    H    SER   4           H        SER   4  -4.679   4.285   1.346
   13    HA   SER   4           HA       SER   4  -6.722   2.495   2.553
   14    HB2  SER   4           2HB      SER   4  -8.222   4.012   1.154
   15    HB3  SER   4           1HB      SER   4  -7.281   4.825   2.402
   16    HG   SER   4           HG       SER   4  -7.305   5.651   0.089
   17    H    ASP   5           H        ASP   5  -4.533   1.794   0.420
   18    HA   ASP   5           HA       ASP   5  -6.403   0.682  -1.649
   19    HB2  ASP   5           2HB      ASP   5  -4.377   2.380  -2.039
   20    HB3  ASP   5           1HB      ASP   5  -3.437   0.888  -2.016
   21    HA   PRO   6           HA       PRO   6  -5.109  -3.290  -0.229
   22    HB2  PRO   6           2HB      PRO   6  -5.847  -4.785  -2.394
   23    HB3  PRO   6           1HB      PRO   6  -7.023  -4.082  -1.266
   24    HG2  PRO   6           2HG      PRO   6  -6.318  -3.255  -4.002
   25    HG3  PRO   6           1HG      PRO   6  -7.823  -3.032  -3.105
   26    HD2  PRO   6           2HD      PRO   6  -5.815  -1.104  -3.551
   27    HD3  PRO   6           1HD      PRO   6  -7.205  -0.960  -2.460
   28    H    ARG   7           H        ARG   7  -4.139  -2.250  -3.474
   29    HA   ARG   7           HA       ARG   7  -2.011  -4.177  -3.824
   30    HB2  ARG   7           2HB      ARG   7  -2.249  -1.397  -5.011
   31    HB3  ARG   7           1HB      ARG   7  -1.498  -2.819  -5.740
   32    HG2  ARG   7           2HG      ARG   7  -3.972  -3.803  -5.319
   33    HG3  ARG   7           1HG      ARG   7  -4.375  -2.099  -5.521
   34    HD2  ARG   7           2HD      ARG   7  -2.792  -2.249  -7.621
   35    HD3  ARG   7           1HD      ARG   7  -3.132  -3.988  -7.503
   36    HE   ARG   7           HE       ARG   7  -5.606  -2.671  -7.197
   37   HH11  ARG   7          1HH2      ARG   7  -3.097  -3.027  -9.544
   38   HH12  ARG   7          2HH2      ARG   7  -4.157  -2.829 -10.897
   39   HH21  ARG   7          1HH1      ARG   7  -6.999  -2.414  -8.956
   40   HH22  ARG   7          2HH1      ARG   7  -6.365  -2.483 -10.566
   41    H    CYS   8           H        CYS   8  -2.315  -1.204  -2.056
   42    HA   CYS   8           HA       CYS   8   0.651  -1.110  -1.615
   43    HB2  CYS   8           2HB      CYS   8  -1.478   0.836  -2.070
   44    HB3  CYS   8           1HB      CYS   8  -0.530   1.203  -0.630
   45    H    ARG   9           H        ARG   9  -0.662  -3.036  -0.186
   46    HA   ARG   9           HA       ARG   9  -1.978  -2.637   2.174
   47    HB2  ARG   9           2HB      ARG   9  -0.251  -4.443   3.053
   48    HB3  ARG   9           1HB      ARG   9  -1.358  -4.838   1.741
   49    HG2  ARG   9           2HG      ARG   9   1.086  -3.581   0.756
   50    HG3  ARG   9           1HG      ARG   9   1.419  -5.057   1.661
   51    HD2  ARG   9           2HD      ARG   9  -0.816  -5.085  -0.347
   52    HD3  ARG   9           1HD      ARG   9   0.860  -5.220  -0.917
   53    HE   ARG   9           HE       ARG   9   0.776  -6.983   1.205
   54   HH11  ARG   9          1HH2      ARG   9  -1.130  -6.468  -1.631
   55   HH12  ARG   9          2HH2      ARG   9  -1.575  -8.134  -1.789
   56   HH21  ARG   9          1HH1      ARG   9   0.201  -9.155   1.008
   57   HH22  ARG   9          2HH1      ARG   9  -0.824  -9.654  -0.297
   58    H    TYR  10           H        TYR  10   1.437  -3.149   2.831
   59    HA   TYR  10           HA       TYR  10   1.334  -0.945   4.808
   60    HB2  TYR  10           2HB      TYR  10   3.146  -3.292   4.232
   61    HB3  TYR  10           1HB      TYR  10   3.576  -2.063   5.423
   62    HD1  TYR  10           2HD      TYR  10   1.190  -4.746   4.569
   63    HD2  TYR  10           1HD      TYR  10   2.347  -1.833   7.506
   64    HE1  TYR  10           2HE      TYR  10  -0.280  -5.845   6.237
   65    HE2  TYR  10           1HE      TYR  10   0.876  -2.931   9.175
   66    HH   TYR  10           HH       TYR  10  -1.459  -4.614   8.740
   67    H    ARG  11           H        ARG  11   2.664  -1.578   1.668
   68    HA   ARG  11           HA       ARG  11   4.955   0.190   1.848
   69    HB2  ARG  11           2HB      ARG  11   5.036  -0.162  -0.553
   70    HB3  ARG  11           1HB      ARG  11   4.569  -1.683   0.209
   71    HG2  ARG  11           2HG      ARG  11   2.126  -0.531  -0.168
   72    HG3  ARG  11           1HG      ARG  11   3.006   0.098  -1.561
   73    HD2  ARG  11           2HD      ARG  11   2.486  -2.792  -0.827
   74    HD3  ARG  11           1HD      ARG  11   2.145  -1.962  -2.357
   75    HE   ARG  11           HE       ARG  11   4.725  -3.060  -1.567
   76   HH11  ARG  11          1HH2      ARG  11   3.065  -0.609  -3.347
   77   HH12  ARG  11          2HH2      ARG  11   4.366  -0.357  -4.461
   78   HH21  ARG  11          1HH1      ARG  11   6.425  -2.742  -3.017
   79   HH22  ARG  11          2HH1      ARG  11   6.264  -1.564  -4.278
   80    H    CYS  12           H        CYS  12   3.039   1.718   3.013
   81    HA   CYS  12           HA       CYS  12   1.779   3.482   1.000
   82    HB2  CYS  12           2HB      CYS  12   0.769   2.627   3.208
   83    HB3  CYS  12           1HB      CYS  12   1.845   3.769   4.011
   84    H    ARG  13           H        ARG  13   4.840   3.224   2.140
   85    HA   ARG  13           HA       ARG  13   5.256   6.199   2.162
   86    HB2  ARG  13           2HB      ARG  13   6.403   3.923   3.763
   87    HB3  ARG  13           1HB      ARG  13   7.347   5.396   3.542
   88    HG2  ARG  13           2HG      ARG  13   5.762   6.730   4.661
   89    HG3  ARG  13           1HG      ARG  13   4.481   5.532   4.465
   90    HD2  ARG  13           2HD      ARG  13   6.818   4.519   5.951
   91    HD3  ARG  13           1HD      ARG  13   5.957   5.839   6.767
   92    HE   ARG  13           HE       ARG  13   4.871   3.182   6.213
   93   HH11  ARG  13          1HH2      ARG  13   4.225   6.538   6.720
   94   HH12  ARG  13          2HH2      ARG  13   2.602   6.274   7.261
   95   HH21  ARG  13          1HH1      ARG  13   2.756   2.828   6.914
   96   HH22  ARG  13          2HH1      ARG  13   1.771   4.178   7.370
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -4.156   7.410   0.507
    2    HA2  GLY   1           2HA      GLY   1  -4.081   6.697  -2.363
    3    HA3  GLY   1           1HA      GLY   1  -2.704   7.224  -1.394
    4    H    CYS   2           H        CYS   2  -1.276   5.636  -0.918
    5    HA   CYS   2           HA       CYS   2  -1.777   2.862  -1.532
    6    HB2  CYS   2           2HB      CYS   2   0.363   4.553  -0.325
    7    HB3  CYS   2           1HB      CYS   2   0.447   2.818  -0.022
    8    H    CYS   3           H        CYS   3  -1.863   4.752   1.466
    9    HA   CYS   3           HA       CYS   3  -2.032   2.542   3.289
   10    HB2  CYS   3           2HB      CYS   3  -3.128   5.366   3.491
   11    HB3  CYS   3           1HB      CYS   3  -2.728   4.301   4.838
   12    H    SER   4           H        SER   4  -4.244   3.709   0.975
   13    HA   SER   4           HA       SER   4  -6.550   2.476   2.442
   14    HB2  SER   4           2HB      SER   4  -7.698   3.942   0.503
   15    HB3  SER   4           1HB      SER   4  -7.210   4.652   2.039
   16    HG   SER   4           HG       SER   4  -6.399   5.343  -0.334
   17    H    ASP   5           H        ASP   5  -4.492   2.293  -0.330
   18    HA   ASP   5           HA       ASP   5  -6.303   0.751  -2.033
   19    HB2  ASP   5           2HB      ASP   5  -4.121   2.254  -2.443
   20    HB3  ASP   5           1HB      ASP   5  -3.319   0.693  -2.278
   21    HA   PRO   6           HA       PRO   6  -5.353  -3.173  -0.237
   22    HB2  PRO   6           2HB      PRO   6  -5.986  -4.813  -2.329
   23    HB3  PRO   6           1HB      PRO   6  -7.209  -3.961  -1.368
   24    HG2  PRO   6           2HG      PRO   6  -6.252  -3.418  -4.095
   25    HG3  PRO   6           1HG      PRO   6  -7.799  -3.021  -3.337
   26    HD2  PRO   6           2HD      PRO   6  -5.622  -1.276  -3.785
   27    HD3  PRO   6           1HD      PRO   6  -7.089  -0.935  -2.853
   28    H    ARG   7           H        ARG   7  -3.878  -2.215  -3.262
   29    HA   ARG   7           HA       ARG   7  -1.883  -4.378  -3.259
   30    HB2  ARG   7           2HB      ARG   7  -1.889  -1.785  -4.823
   31    HB3  ARG   7           1HB      ARG   7  -1.165  -3.325  -5.289
   32    HG2  ARG   7           2HG      ARG   7  -3.912  -3.828  -4.764
   33    HG3  ARG   7           1HG      ARG   7  -3.837  -2.387  -5.779
   34    HD2  ARG   7           2HD      ARG   7  -2.138  -3.753  -7.215
   35    HD3  ARG   7           1HD      ARG   7  -2.816  -5.165  -6.378
   36    HE   ARG   7           HE       ARG   7  -5.058  -3.742  -7.138
   37   HH11  ARG   7          1HH2      ARG   7  -2.235  -4.927  -8.738
   38   HH12  ARG   7          2HH2      ARG   7  -3.030  -5.137 -10.263
   39   HH21  ARG   7          1HH1      ARG   7  -6.104  -4.012  -9.115
   40   HH22  ARG   7          2HH1      ARG   7  -5.220  -4.620 -10.476
   41    H    CYS   8           H        CYS   8  -2.209  -1.178  -1.942
   42    HA   CYS   8           HA       CYS   8   0.720  -1.031  -1.344
   43    HB2  CYS   8           2HB      CYS   8  -1.469   0.819  -1.953
   44    HB3  CYS   8           1HB      CYS   8  -0.541   1.312  -0.539
   45    H    ARG   9           H        ARG   9  -1.329  -2.740   0.055
   46    HA   ARG   9           HA       ARG   9  -2.195  -1.757   2.538
   47    HB2  ARG   9           2HB      ARG   9  -2.055  -4.173   3.189
   48    HB3  ARG   9           1HB      ARG   9  -2.787  -3.931   1.603
   49    HG2  ARG   9           2HG      ARG   9  -0.081  -4.107   1.025
   50    HG3  ARG   9           1HG      ARG   9  -0.295  -5.297   2.310
   51    HD2  ARG   9           2HD      ARG   9  -2.517  -5.726   0.694
   52    HD3  ARG   9           1HD      ARG   9  -1.216  -5.401  -0.469
   53    HE   ARG   9           HE       ARG   9  -0.232  -7.120   1.605
   54   HH11  ARG   9          1HH2      ARG   9  -2.327  -7.038  -1.142
   55   HH12  ARG   9          2HH2      ARG   9  -2.114  -8.715  -1.514
   56   HH21  ARG   9          1HH1      ARG   9   0.055  -9.307   1.124
   57   HH22  ARG   9          2HH1      ARG   9  -0.768  -9.999  -0.233
   58    H    TYR  10           H        TYR  10   1.080  -2.436   1.520
   59    HA   TYR  10           HA       TYR  10   1.995  -2.105   4.361
   60    HB2  TYR  10           2HB      TYR  10   2.850  -3.791   2.042
   61    HB3  TYR  10           1HB      TYR  10   4.080  -3.281   3.201
   62    HD1  TYR  10           2HD      TYR  10   3.042  -3.355   5.761
   63    HD2  TYR  10           1HD      TYR  10   1.978  -5.891   2.472
   64    HE1  TYR  10           2HE      TYR  10   2.276  -5.093   7.358
   65    HE2  TYR  10           1HE      TYR  10   1.207  -7.638   4.064
   66    HH   TYR  10           HH       TYR  10   0.890  -7.003   7.466
   67    H    ARG  11           H        ARG  11   2.144  -0.886   1.134
   68    HA   ARG  11           HA       ARG  11   4.623   0.635   1.523
   69    HB2  ARG  11           2HB      ARG  11   2.468   0.529  -0.599
   70    HB3  ARG  11           1HB      ARG  11   3.892   1.562  -0.732
   71    HG2  ARG  11           2HG      ARG  11   5.236  -0.179  -1.267
   72    HG3  ARG  11           1HG      ARG  11   4.551  -1.201  -0.001
   73    HD2  ARG  11           2HD      ARG  11   3.021  -2.155  -1.422
   74    HD3  ARG  11           1HD      ARG  11   2.778  -0.647  -2.328
   75    HE   ARG  11           HE       ARG  11   4.563  -1.272  -3.747
   76   HH11  ARG  11          1HH2      ARG  11   4.570  -3.072  -0.798
   77   HH12  ARG  11          2HH2      ARG  11   5.843  -4.134  -1.299
   78   HH21  ARG  11          1HH1      ARG  11   6.225  -2.651  -4.408
   79   HH22  ARG  11          2HH1      ARG  11   6.781  -3.894  -3.339
   80    H    CYS  12           H        CYS  12   2.647   1.228   3.527
   81    HA   CYS  12           HA       CYS  12   1.495   3.846   2.774
   82    HB2  CYS  12           2HB      CYS  12   0.249   2.167   4.058
   83    HB3  CYS  12           1HB      CYS  12   1.470   2.212   5.326
   84    H    ARG  13           H        ARG  13   2.902   5.534   2.859
   85    HA   ARG  13           HA       ARG  13   4.588   5.837   5.305
   86    HB2  ARG  13           2HB      ARG  13   6.534   6.298   3.958
   87    HB3  ARG  13           1HB      ARG  13   5.833   4.800   3.346
   88    HG2  ARG  13           2HG      ARG  13   5.520   5.718   1.316
   89    HG3  ARG  13           1HG      ARG  13   4.619   7.062   2.017
   90    HD2  ARG  13           2HD      ARG  13   6.601   8.352   2.355
   91    HD3  ARG  13           1HD      ARG  13   7.648   6.946   2.080
   92    HE   ARG  13           HE       ARG  13   7.324   7.216  -0.252
   93   HH11  ARG  13          1HH2      ARG  13   5.016   9.000   1.600
   94   HH12  ARG  13          2HH2      ARG  13   4.361   9.826   0.225
   95   HH21  ARG  13          1HH1      ARG  13   6.477   8.290  -2.048
   96   HH22  ARG  13          2HH1      ARG  13   5.187   9.425  -1.836
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -4.773   7.092  -3.441
    2    HA2  GLY   1           2HA      GLY   1  -3.034   7.456  -1.816
    3    HA3  GLY   1           1HA      GLY   1  -4.236   7.307  -0.534
    4    H    CYS   2           H        CYS   2  -1.624   5.868  -1.008
    5    HA   CYS   2           HA       CYS   2  -2.247   3.118  -1.683
    6    HB2  CYS   2           2HB      CYS   2   0.020   4.731  -0.621
    7    HB3  CYS   2           1HB      CYS   2   0.072   2.998  -0.315
    8    H    CYS   3           H        CYS   3  -1.890   4.896   1.397
    9    HA   CYS   3           HA       CYS   3  -2.004   2.750   3.214
   10    HB2  CYS   3           2HB      CYS   3  -2.782   5.631   3.169
   11    HB3  CYS   3           1HB      CYS   3  -3.362   4.663   4.525
   12    H    SER   4           H        SER   4  -4.491   3.961   1.110
   13    HA   SER   4           HA       SER   4  -6.577   2.427   2.609
   14    HB2  SER   4           2HB      SER   4  -8.084   3.967   1.732
   15    HB3  SER   4           1HB      SER   4  -6.632   4.962   1.797
   16    HG   SER   4           HG       SER   4  -7.585   5.086  -0.250
   17    H    ASP   5           H        ASP   5  -4.574   2.321  -0.174
   18    HA   ASP   5           HA       ASP   5  -6.387   0.687  -1.819
   19    HB2  ASP   5           2HB      ASP   5  -4.366   2.361  -2.362
   20    HB3  ASP   5           1HB      ASP   5  -3.434   0.871  -2.253
   21    HA   PRO   6           HA       PRO   6  -5.024  -3.142  -0.113
   22    HB2  PRO   6           2HB      PRO   6  -5.678  -4.822  -2.167
   23    HB3  PRO   6           1HB      PRO   6  -6.893  -4.049  -1.129
   24    HG2  PRO   6           2HG      PRO   6  -6.161  -3.463  -3.911
   25    HG3  PRO   6           1HG      PRO   6  -7.665  -3.135  -3.043
   26    HD2  PRO   6           2HD      PRO   6  -5.583  -1.303  -3.642
   27    HD3  PRO   6           1HD      PRO   6  -7.028  -1.007  -2.659
   28    H    ARG   7           H        ARG   7  -3.956  -2.414  -3.428
   29    HA   ARG   7           HA       ARG   7  -1.794  -4.337  -3.494
   30    HB2  ARG   7           2HB      ARG   7  -1.954  -1.691  -4.959
   31    HB3  ARG   7           1HB      ARG   7  -1.225  -3.197  -5.519
   32    HG2  ARG   7           2HG      ARG   7  -3.690  -4.120  -5.157
   33    HG3  ARG   7           1HG      ARG   7  -4.109  -2.424  -5.388
   34    HD2  ARG   7           2HD      ARG   7  -2.973  -2.385  -7.548
   35    HD3  ARG   7           1HD      ARG   7  -2.397  -4.046  -7.307
   36    HE   ARG   7           HE       ARG   7  -5.285  -3.814  -7.008
   37   HH11  ARG   7          1HH2      ARG   7  -2.641  -4.147  -9.211
   38   HH12  ARG   7          2HH2      ARG   7  -3.599  -4.898 -10.444
   39   HH21  ARG   7          1HH1      ARG   7  -6.536  -4.792  -8.608
   40   HH22  ARG   7          2HH1      ARG   7  -5.798  -5.262 -10.102
   41    H    CYS   8           H        CYS   8  -2.209  -1.172  -2.126
   42    HA   CYS   8           HA       CYS   8   0.720  -0.890  -1.597
   43    HB2  CYS   8           2HB      CYS   8  -1.595   0.833  -2.081
   44    HB3  CYS   8           1HB      CYS   8  -0.664   1.337  -0.675
   45    H    ARG   9           H        ARG   9  -1.036  -2.810  -0.166
   46    HA   ARG   9           HA       ARG   9  -2.104  -2.171   2.256
   47    HB2  ARG   9           2HB      ARG   9  -0.790  -4.303   3.065
   48    HB3  ARG   9           1HB      ARG   9  -1.978  -4.448   1.776
   49    HG2  ARG   9           2HG      ARG   9   0.504  -3.761   0.550
   50    HG3  ARG   9           1HG      ARG   9   0.822  -5.058   1.698
   51    HD2  ARG   9           2HD      ARG   9  -1.396  -6.085   0.626
   52    HD3  ARG   9           1HD      ARG   9  -0.885  -5.095  -0.756
   53    HE   ARG   9           HE       ARG   9   1.461  -6.300   0.010
   54   HH11  ARG   9          1HH2      ARG   9  -1.739  -7.435  -0.627
   55   HH12  ARG   9          2HH2      ARG   9  -1.215  -8.984  -1.195
   56   HH21  ARG   9          1HH1      ARG   9   2.156  -8.316  -0.731
   57   HH22  ARG   9          2HH1      ARG   9   0.987  -9.482  -1.255
   58    H    TYR  10           H        TYR  10   1.156  -3.382   2.758
   59    HA   TYR  10           HA       TYR  10   1.603  -1.457   4.891
   60    HB2  TYR  10           2HB      TYR  10   3.503  -3.415   3.573
   61    HB3  TYR  10           1HB      TYR  10   3.642  -2.743   5.197
   62    HD1  TYR  10           1HD      TYR  10   1.899  -3.319   6.931
   63    HD2  TYR  10           2HD      TYR  10   2.105  -5.294   3.122
   64    HE1  TYR  10           1HE      TYR  10   0.495  -5.163   7.813
   65    HE2  TYR  10           2HE      TYR  10   0.701  -7.137   4.003
   66    HH   TYR  10           HH       TYR  10  -1.174  -6.973   6.537
   67    H    ARG  11           H        ARG  11   2.703  -1.818   1.563
   68    HA   ARG  11           HA       ARG  11   4.783   0.204   1.730
   69    HB2  ARG  11           2HB      ARG  11   3.370  -1.404  -0.369
   70    HB3  ARG  11           1HB      ARG  11   4.335  -0.019  -0.884
   71    HG2  ARG  11           2HG      ARG  11   6.236  -1.188  -0.593
   72    HG3  ARG  11           1HG      ARG  11   5.805  -1.519   1.085
   73    HD2  ARG  11           2HD      ARG  11   4.416  -3.444   0.345
   74    HD3  ARG  11           1HD      ARG  11   4.902  -3.128  -1.333
   75    HE   ARG  11           HE       ARG  11   7.272  -3.237   0.211
   76   HH11  ARG  11          1HH2      ARG  11   4.646  -5.265  -0.750
   77   HH12  ARG  11          2HH2      ARG  11   5.586  -6.719  -0.702
   78   HH21  ARG  11          1HH1      ARG  11   8.502  -5.128   0.281
   79   HH22  ARG  11          2HH1      ARG  11   7.762  -6.643  -0.117
   80    H    CYS  12           H        CYS  12   3.217   1.821   2.848
   81    HA   CYS  12           HA       CYS  12   1.299   3.127   1.023
   82    HB2  CYS  12           2HB      CYS  12   0.803   2.700   3.419
   83    HB3  CYS  12           1HB      CYS  12   2.149   3.750   3.864
   84    H    ARG  13           H        ARG  13   4.582   3.317   1.491
   85    HA   ARG  13           HA       ARG  13   4.760   5.884   0.095
   86    HB2  ARG  13           2HB      ARG  13   5.992   6.993   1.954
   87    HB3  ARG  13           1HB      ARG  13   4.335   6.593   2.408
   88    HG2  ARG  13           2HG      ARG  13   5.613   5.856   4.252
   89    HG3  ARG  13           1HG      ARG  13   5.334   4.384   3.319
   90    HD2  ARG  13           2HD      ARG  13   7.713   5.749   2.360
   91    HD3  ARG  13           1HD      ARG  13   7.836   5.403   4.099
   92    HE   ARG  13           HE       ARG  13   6.738   3.169   2.582
   93   HH11  ARG  13          1HH2      ARG  13   9.590   4.809   3.630
   94   HH12  ARG  13          2HH2      ARG  13  10.588   3.397   3.551
   95   HH21  ARG  13          1HH1      ARG  13   8.027   1.321   2.473
   96   HH22  ARG  13          2HH1      ARG  13   9.704   1.424   2.895
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -4.985   6.636  -4.093
    2    HA2  GLY   1           2HA      GLY   1  -2.582   7.137  -2.788
    3    HA3  GLY   1           1HA      GLY   1  -4.033   6.608  -1.935
    4    H    CYS   2           H        CYS   2  -2.548   5.430  -0.489
    5    HA   CYS   2           HA       CYS   2  -1.882   2.749  -1.619
    6    HB2  CYS   2           2HB      CYS   2  -0.091   4.808  -0.420
    7    HB3  CYS   2           1HB      CYS   2   0.221   3.128   0.010
    8    H    CYS   3           H        CYS   3  -2.022   4.710   1.377
    9    HA   CYS   3           HA       CYS   3  -2.223   2.505   3.184
   10    HB2  CYS   3           2HB      CYS   3  -2.951   5.426   3.186
   11    HB3  CYS   3           1HB      CYS   3  -3.375   4.416   4.567
   12    H    SER   4           H        SER   4  -4.613   4.158   1.193
   13    HA   SER   4           HA       SER   4  -6.827   2.621   2.465
   14    HB2  SER   4           2HB      SER   4  -7.750   4.259   0.355
   15    HB3  SER   4           1HB      SER   4  -7.852   4.599   2.080
   16    HG   SER   4           HG       SER   4  -6.380   6.062   1.805
   17    H    ASP   5           H        ASP   5  -4.582   2.098   0.110
   18    HA   ASP   5           HA       ASP   5  -6.454   0.773  -1.803
   19    HB2  ASP   5           2HB      ASP   5  -4.400   2.445  -2.228
   20    HB3  ASP   5           1HB      ASP   5  -3.485   0.939  -2.166
   21    HA   PRO   6           HA       PRO   6  -5.146  -3.138  -0.232
   22    HB2  PRO   6           2HB      PRO   6  -5.749  -4.727  -2.371
   23    HB3  PRO   6           1HB      PRO   6  -6.988  -3.996  -1.333
   24    HG2  PRO   6           2HG      PRO   6  -6.187  -3.294  -4.069
   25    HG3  PRO   6           1HG      PRO   6  -7.710  -2.996  -3.224
   26    HD2  PRO   6           2HD      PRO   6  -5.603  -1.153  -3.695
   27    HD3  PRO   6           1HD      PRO   6  -7.074  -0.888  -2.740
   28    H    ARG   7           H        ARG   7  -3.938  -2.177  -3.422
   29    HA   ARG   7           HA       ARG   7  -1.807  -4.146  -3.539
   30    HB2  ARG   7           2HB      ARG   7  -1.928  -1.440  -4.895
   31    HB3  ARG   7           1HB      ARG   7  -1.178  -2.920  -5.496
   32    HG2  ARG   7           2HG      ARG   7  -3.752  -3.756  -5.095
   33    HG3  ARG   7           1HG      ARG   7  -4.007  -2.078  -5.578
   34    HD2  ARG   7           2HD      ARG   7  -2.029  -3.044  -7.336
   35    HD3  ARG   7           1HD      ARG   7  -3.243  -4.336  -7.231
   36    HE   ARG   7           HE       ARG   7  -4.772  -2.047  -7.418
   37   HH11  ARG   7          1HH2      ARG   7  -2.152  -3.403  -9.212
   38   HH12  ARG   7          2HH2      ARG   7  -2.661  -2.718 -10.719
   39   HH21  ARG   7          1HH1      ARG   7  -5.443  -1.147  -9.376
   40   HH22  ARG   7          2HH1      ARG   7  -4.522  -1.443 -10.813
   41    H    CYS   8           H        CYS   8  -2.214  -1.048  -2.004
   42    HA   CYS   8           HA       CYS   8   0.713  -0.895  -1.381
   43    HB2  CYS   8           2HB      CYS   8  -1.468   0.969  -1.944
   44    HB3  CYS   8           1HB      CYS   8  -0.587   1.387  -0.476
   45    H    ARG   9           H        ARG   9  -0.647  -2.850  -0.011
   46    HA   ARG   9           HA       ARG   9  -2.033  -2.319   2.327
   47    HB2  ARG   9           2HB      ARG   9  -1.781  -4.543   1.648
   48    HB3  ARG   9           1HB      ARG   9  -0.061  -4.355   1.333
   49    HG2  ARG   9           2HG      ARG   9   0.135  -5.500   3.288
   50    HG3  ARG   9           1HG      ARG   9  -0.094  -3.908   3.986
   51    HD2  ARG   9           2HD      ARG   9  -2.603  -5.323   3.317
   52    HD3  ARG   9           1HD      ARG   9  -1.658  -6.032   4.642
   53    HE   ARG   9           HE       ARG   9  -1.692  -3.208   4.996
   54   HH11  ARG   9          1HH2      ARG   9  -3.786  -5.956   5.043
   55   HH12  ARG   9          2HH2      ARG   9  -4.873  -5.267   6.200
   56   HH21  ARG   9          1HH1      ARG   9  -3.107  -2.302   6.503
   57   HH22  ARG   9          2HH1      ARG   9  -4.491  -3.201   7.025
   58    H    TYR  10           H        TYR  10   1.427  -3.176   2.531
   59    HA   TYR  10           HA       TYR  10   1.686  -1.275   4.815
   60    HB2  TYR  10           2HB      TYR  10   3.294  -3.623   3.773
   61    HB3  TYR  10           1HB      TYR  10   3.812  -2.633   5.135
   62    HD1  TYR  10           1HD      TYR  10   1.526  -2.088   6.710
   63    HD2  TYR  10           2HD      TYR  10   2.419  -5.655   4.490
   64    HE1  TYR  10           1HE      TYR  10   0.065  -3.399   8.229
   65    HE2  TYR  10           2HE      TYR  10   0.959  -6.966   6.007
   66    HH   TYR  10           HH       TYR  10  -0.415  -5.550   8.910
   67    H    ARG  11           H        ARG  11   2.620  -1.711   1.529
   68    HA   ARG  11           HA       ARG  11   5.023  -0.058   1.611
   69    HB2  ARG  11           2HB      ARG  11   3.257  -0.886  -0.712
   70    HB3  ARG  11           1HB      ARG  11   4.957  -0.424  -0.790
   71    HG2  ARG  11           2HG      ARG  11   5.480  -2.599  -0.507
   72    HG3  ARG  11           1HG      ARG  11   4.847  -2.469   1.133
   73    HD2  ARG  11           2HD      ARG  11   2.646  -3.195   0.429
   74    HD3  ARG  11           1HD      ARG  11   3.116  -3.103  -1.281
   75    HE   ARG  11           HE       ARG  11   5.005  -4.780  -0.035
   76   HH11  ARG  11          1HH2      ARG  11   1.604  -4.658  -0.628
   77   HH12  ARG  11          2HH2      ARG  11   1.417  -6.380  -0.662
   78   HH21  ARG  11          1HH1      ARG  11   4.771  -7.028  -0.076
   79   HH22  ARG  11          2HH1      ARG  11   3.207  -7.719  -0.353
   80    H    CYS  12           H        CYS  12   3.089   1.442   2.879
   81    HA   CYS  12           HA       CYS  12   1.834   3.273   0.922
   82    HB2  CYS  12           2HB      CYS  12   0.868   2.336   3.138
   83    HB3  CYS  12           1HB      CYS  12   1.896   3.528   3.930
   84    H    ARG  13           H        ARG  13   4.869   3.026   1.500
   85    HA   ARG  13           HA       ARG  13   6.040   5.107   2.861
   86    HB2  ARG  13           2HB      ARG  13   7.785   4.988   1.178
   87    HB3  ARG  13           1HB      ARG  13   7.099   3.374   1.365
   88    HG2  ARG  13           2HG      ARG  13   6.420   3.338  -0.783
   89    HG3  ARG  13           1HG      ARG  13   5.618   4.899  -0.611
   90    HD2  ARG  13           2HD      ARG  13   8.203   5.725  -0.642
   91    HD3  ARG  13           1HD      ARG  13   8.325   4.280  -1.668
   92    HE   ARG  13           HE       ARG  13   6.909   6.720  -2.358
   93   HH11  ARG  13          1HH2      ARG  13   6.948   3.276  -2.623
   94   HH12  ARG  13          2HH2      ARG  13   6.078   3.256  -4.120
   95   HH21  ARG  13          1HH1      ARG  13   5.773   6.703  -4.304
   96   HH22  ARG  13          2HH1      ARG  13   5.411   5.192  -5.068
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -5.279   6.107  -2.572
    2    HA2  GLY   1           2HA      GLY   1  -2.816   7.058  -2.397
    3    HA3  GLY   1           1HA      GLY   1  -3.252   7.199  -0.693
    4    H    CYS   2           H        CYS   2  -1.277   5.625  -0.704
    5    HA   CYS   2           HA       CYS   2  -1.813   2.864  -1.506
    6    HB2  CYS   2           2HB      CYS   2   0.330   4.456  -0.164
    7    HB3  CYS   2           1HB      CYS   2   0.345   2.709   0.072
    8    H    CYS   3           H        CYS   3  -1.803   4.698   1.557
    9    HA   CYS   3           HA       CYS   3  -2.234   2.515   3.335
   10    HB2  CYS   3           2HB      CYS   3  -3.127   5.417   3.414
   11    HB3  CYS   3           1HB      CYS   3  -3.091   4.340   4.807
   12    H    SER   4           H        SER   4  -4.302   3.975   0.989
   13    HA   SER   4           HA       SER   4  -6.736   2.779   2.258
   14    HB2  SER   4           2HB      SER   4  -6.114   5.070   0.452
   15    HB3  SER   4           1HB      SER   4  -7.666   4.271   0.221
   16    HG   SER   4           HG       SER   4  -8.279   4.857   2.200
   17    H    ASP   5           H        ASP   5  -4.414   2.208  -0.140
   18    HA   ASP   5           HA       ASP   5  -6.259   0.761  -1.961
   19    HB2  ASP   5           2HB      ASP   5  -4.135   2.315  -2.428
   20    HB3  ASP   5           1HB      ASP   5  -3.275   0.790  -2.217
   21    HA   PRO   6           HA       PRO   6  -5.243  -3.095  -0.073
   22    HB2  PRO   6           2HB      PRO   6  -5.949  -4.777  -2.107
   23    HB3  PRO   6           1HB      PRO   6  -7.141  -3.906  -1.124
   24    HG2  PRO   6           2HG      PRO   6  -6.255  -3.405  -3.888
   25    HG3  PRO   6           1HG      PRO   6  -7.794  -3.028  -3.106
   26    HD2  PRO   6           2HD      PRO   6  -5.692  -1.234  -3.634
   27    HD3  PRO   6           1HD      PRO   6  -7.117  -0.931  -2.626
   28    H    ARG   7           H        ARG   7  -3.966  -2.298  -3.256
   29    HA   ARG   7           HA       ARG   7  -1.960  -4.417  -3.315
   30    HB2  ARG   7           2HB      ARG   7  -2.035  -1.773  -4.803
   31    HB3  ARG   7           1HB      ARG   7  -1.255  -3.268  -5.321
   32    HG2  ARG   7           2HG      ARG   7  -3.793  -4.158  -4.949
   33    HG3  ARG   7           1HG      ARG   7  -4.112  -2.491  -5.434
   34    HD2  ARG   7           2HD      ARG   7  -2.058  -3.518  -7.148
   35    HD3  ARG   7           1HD      ARG   7  -3.399  -4.681  -7.121
   36    HE   ARG   7           HE       ARG   7  -4.560  -2.112  -7.274
   37   HH11  ARG   7          1HH2      ARG   7  -2.482  -4.176  -9.106
   38   HH12  ARG   7          2HH2      ARG   7  -2.983  -3.536 -10.636
   39   HH21  ARG   7          1HH1      ARG   7  -5.218  -1.270  -9.259
   40   HH22  ARG   7          2HH1      ARG   7  -4.529  -1.890 -10.724
   41    H    CYS   8           H        CYS   8  -2.184  -1.223  -1.950
   42    HA   CYS   8           HA       CYS   8   0.757  -1.119  -1.437
   43    HB2  CYS   8           2HB      CYS   8  -1.423   0.740  -1.954
   44    HB3  CYS   8           1HB      CYS   8  -0.536   1.187  -0.501
   45    H    ARG   9           H        ARG   9  -1.228  -2.879  -0.006
   46    HA   ARG   9           HA       ARG   9  -2.046  -2.037   2.511
   47    HB2  ARG   9           2HB      ARG   9  -1.558  -4.452   3.140
   48    HB3  ARG   9           1HB      ARG   9  -2.504  -4.238   1.668
   49    HG2  ARG   9           2HG      ARG   9  -0.567  -4.608   0.278
   50    HG3  ARG   9           1HG      ARG   9   0.506  -4.577   1.679
   51    HD2  ARG   9           2HD      ARG   9   0.195  -6.900   1.229
   52    HD3  ARG   9           1HD      ARG   9  -0.924  -6.563   2.558
   53    HE   ARG   9           HE       ARG   9  -2.755  -6.445   0.948
   54   HH11  ARG   9          1HH2      ARG   9   0.301  -7.474  -0.369
   55   HH12  ARG   9          2HH2      ARG   9  -0.419  -8.171  -1.774
   56   HH21  ARG   9          1HH1      ARG   9  -3.658  -7.346  -0.887
   57   HH22  ARG   9          2HH1      ARG   9  -2.642  -8.099  -2.072
   58    H    TYR  10           H        TYR  10   1.272  -2.852   1.510
   59    HA   TYR  10           HA       TYR  10   2.229  -2.345   4.283
   60    HB2  TYR  10           2HB      TYR  10   3.186  -3.745   1.836
   61    HB3  TYR  10           1HB      TYR  10   4.418  -3.076   2.903
   62    HD1  TYR  10           2HD      TYR  10   1.093  -4.746   3.447
   63    HD2  TYR  10           1HD      TYR  10   5.293  -4.675   4.336
   64    HE1  TYR  10           2HE      TYR  10   0.796  -6.656   5.003
   65    HE2  TYR  10           1HE      TYR  10   4.997  -6.582   5.892
   66    HH   TYR  10           HH       TYR  10   3.386  -8.458   6.213
   67    H    ARG  11           H        ARG  11   2.348  -0.986   1.044
   68    HA   ARG  11           HA       ARG  11   4.461   0.937   1.701
   69    HB2  ARG  11           2HB      ARG  11   2.501   0.862  -0.611
   70    HB3  ARG  11           1HB      ARG  11   4.061   1.684  -0.574
   71    HG2  ARG  11           2HG      ARG  11   5.107  -0.195  -1.227
   72    HG3  ARG  11           1HG      ARG  11   4.437  -1.073   0.150
   73    HD2  ARG  11           2HD      ARG  11   2.713  -1.971  -1.093
   74    HD3  ARG  11           1HD      ARG  11   2.587  -0.538  -2.133
   75    HE   ARG  11           HE       ARG  11   4.356  -2.813  -2.587
   76   HH11  ARG  11          1HH2      ARG  11   3.837   0.577  -3.011
   77   HH12  ARG  11          2HH2      ARG  11   4.871   0.691  -4.395
   78   HH21  ARG  11          1HH1      ARG  11   5.703  -2.672  -4.392
   79   HH22  ARG  11          2HH1      ARG  11   5.926  -1.144  -5.178
   80    H    CYS  12           H        CYS  12   2.603   1.296   3.661
   81    HA   CYS  12           HA       CYS  12   0.693   3.409   2.895
   82    HB2  CYS  12           2HB      CYS  12   0.142   1.644   4.522
   83    HB3  CYS  12           1HB      CYS  12   1.484   2.156   5.544
   84    H    ARG  13           H        ARG  13   3.941   3.412   3.337
   85    HA   ARG  13           HA       ARG  13   4.390   5.557   5.208
   86    HB2  ARG  13           2HB      ARG  13   6.007   4.637   2.806
   87    HB3  ARG  13           1HB      ARG  13   6.626   5.541   4.189
   88    HG2  ARG  13           2HG      ARG  13   5.270   2.859   4.509
   89    HG3  ARG  13           1HG      ARG  13   7.005   3.003   4.224
   90    HD2  ARG  13           2HD      ARG  13   7.097   3.125   6.517
   91    HD3  ARG  13           1HD      ARG  13   6.655   4.824   6.246
   92    HE   ARG  13           HE       ARG  13   4.345   3.039   6.281
   93   HH11  ARG  13          1HH2      ARG  13   6.577   4.912   8.139
   94   HH12  ARG  13          2HH2      ARG  13   5.487   5.130   9.465
   95   HH21  ARG  13          1HH1      ARG  13   2.917   3.318   8.011
   96   HH22  ARG  13          2HH1      ARG  13   3.419   4.231   9.394
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -4.717   7.596  -3.067
    2    HA2  GLY   1           2HA      GLY   1  -2.668   7.252  -1.577
    3    HA3  GLY   1           1HA      GLY   1  -4.182   7.060  -0.692
    4    H    CYS   2           H        CYS   2  -1.289   5.641  -1.001
    5    HA   CYS   2           HA       CYS   2  -1.905   2.862  -1.449
    6    HB2  CYS   2           2HB      CYS   2   0.311   4.512  -0.293
    7    HB3  CYS   2           1HB      CYS   2   0.332   2.772  -0.000
    8    H    CYS   3           H        CYS   3  -2.078   4.957   1.376
    9    HA   CYS   3           HA       CYS   3  -2.208   2.888   3.380
   10    HB2  CYS   3           2HB      CYS   3  -2.804   5.802   3.113
   11    HB3  CYS   3           1HB      CYS   3  -3.486   4.963   4.506
   12    H    SER   4           H        SER   4  -4.440   3.964   1.001
   13    HA   SER   4           HA       SER   4  -6.692   2.612   2.457
   14    HB2  SER   4           2HB      SER   4  -6.409   5.098   0.859
   15    HB3  SER   4           1HB      SER   4  -7.871   4.163   0.550
   16    HG   SER   4           HG       SER   4  -7.810   5.791   2.366
   17    H    ASP   5           H        ASP   5  -4.465   1.916   0.243
   18    HA   ASP   5           HA       ASP   5  -6.351   0.658  -1.719
   19    HB2  ASP   5           2HB      ASP   5  -4.315   2.335  -2.176
   20    HB3  ASP   5           1HB      ASP   5  -3.386   0.836  -2.102
   21    HA   PRO   6           HA       PRO   6  -5.046  -3.253  -0.137
   22    HB2  PRO   6           2HB      PRO   6  -5.739  -4.844  -2.247
   23    HB3  PRO   6           1HB      PRO   6  -6.938  -4.097  -1.173
   24    HG2  PRO   6           2HG      PRO   6  -6.190  -3.394  -3.930
   25    HG3  PRO   6           1HG      PRO   6  -7.708  -3.126  -3.067
   26    HD2  PRO   6           2HD      PRO   6  -5.678  -1.229  -3.569
   27    HD3  PRO   6           1HD      PRO   6  -7.095  -1.022  -2.526
   28    H    ARG   7           H        ARG   7  -4.030  -2.364  -3.417
   29    HA   ARG   7           HA       ARG   7  -1.922  -4.276  -3.742
   30    HB2  ARG   7           2HB      ARG   7  -1.988  -1.424  -4.767
   31    HB3  ARG   7           1HB      ARG   7  -1.276  -2.835  -5.551
   32    HG2  ARG   7           2HG      ARG   7  -3.718  -3.788  -5.443
   33    HG3  ARG   7           1HG      ARG   7  -4.174  -2.093  -5.262
   34    HD2  ARG   7           2HD      ARG   7  -2.242  -2.802  -7.444
   35    HD3  ARG   7           1HD      ARG   7  -3.966  -3.153  -7.688
   36    HE   ARG   7           HE       ARG   7  -3.762  -0.538  -6.596
   37   HH11  ARG   7          1HH2      ARG   7  -2.939  -2.320  -9.438
   38   HH12  ARG   7          2HH2      ARG   7  -3.069  -0.951 -10.489
   39   HH21  ARG   7          1HH1      ARG   7  -3.934   1.252  -7.956
   40   HH22  ARG   7          2HH1      ARG   7  -3.632   1.069  -9.651
   41    H    CYS   8           H        CYS   8  -2.077  -1.094  -2.222
   42    HA   CYS   8           HA       CYS   8   0.808  -1.179  -1.496
   43    HB2  CYS   8           2HB      CYS   8  -1.343   0.781  -1.858
   44    HB3  CYS   8           1HB      CYS   8  -0.387   1.067  -0.407
   45    H    ARG   9           H        ARG   9  -0.777  -3.162  -0.296
   46    HA   ARG   9           HA       ARG   9  -2.115  -2.950   2.025
   47    HB2  ARG   9           2HB      ARG   9  -0.681  -4.914   2.826
   48    HB3  ARG   9           1HB      ARG   9  -1.409  -5.081   1.230
   49    HG2  ARG   9           2HG      ARG   9   0.901  -3.929   0.489
   50    HG3  ARG   9           1HG      ARG   9   1.453  -4.692   1.980
   51    HD2  ARG   9           2HD      ARG   9   1.116  -6.840   1.167
   52    HD3  ARG   9           1HD      ARG   9  -0.185  -6.331   0.073
   53    HE   ARG   9           HE       ARG   9   2.177  -5.000  -0.752
   54   HH11  ARG   9          1HH2      ARG   9   0.881  -8.191  -0.481
   55   HH12  ARG   9          2HH2      ARG   9   1.790  -8.812  -1.817
   56   HH21  ARG   9          1HH1      ARG   9   3.367  -5.801  -2.494
   57   HH22  ARG   9          2HH1      ARG   9   3.196  -7.462  -2.955
   58    H    TYR  10           H        TYR  10   1.470  -2.713   2.065
   59    HA   TYR  10           HA       TYR  10   1.186  -1.089   4.576
   60    HB2  TYR  10           2HB      TYR  10   3.359  -3.044   3.771
   61    HB3  TYR  10           1HB      TYR  10   3.218  -2.224   5.321
   62    HD1  TYR  10           2HD      TYR  10   0.912  -2.551   6.575
   63    HD2  TYR  10           1HD      TYR  10   2.424  -5.167   3.520
   64    HE1  TYR  10           2HE      TYR  10  -0.577  -4.362   7.387
   65    HE2  TYR  10           1HE      TYR  10   0.934  -6.975   4.331
   66    HH   TYR  10           HH       TYR  10  -1.632  -6.430   6.453
   67    H    ARG  11           H        ARG  11   2.646  -1.448   1.456
   68    HA   ARG  11           HA       ARG  11   4.824   0.427   1.781
   69    HB2  ARG  11           2HB      ARG  11   3.383  -1.001  -0.403
   70    HB3  ARG  11           1HB      ARG  11   4.347   0.401  -0.869
   71    HG2  ARG  11           2HG      ARG  11   6.073  -1.085  -0.904
   72    HG3  ARG  11           1HG      ARG  11   6.060  -0.868   0.845
   73    HD2  ARG  11           2HD      ARG  11   4.485  -2.797   1.048
   74    HD3  ARG  11           1HD      ARG  11   4.619  -3.050  -0.704
   75    HE   ARG  11           HE       ARG  11   7.246  -2.856   0.430
   76   HH11  ARG  11          1HH2      ARG  11   4.476  -4.913   0.250
   77   HH12  ARG  11          2HH2      ARG  11   5.388  -6.372   0.444
   78   HH21  ARG  11          1HH1      ARG  11   8.442  -4.752   0.685
   79   HH22  ARG  11          2HH1      ARG  11   7.629  -6.282   0.690
   80    H    CYS  12           H        CYS  12   3.070   1.940   2.990
   81    HA   CYS  12           HA       CYS  12   1.553   3.631   1.092
   82    HB2  CYS  12           2HB      CYS  12   0.708   2.855   3.339
   83    HB3  CYS  12           1HB      CYS  12   1.945   3.861   4.092
   84    H    ARG  13           H        ARG  13   4.718   3.467   1.794
   85    HA   ARG  13           HA       ARG  13   5.543   6.028   2.682
   86    HB2  ARG  13           2HB      ARG  13   6.676   3.894   0.874
   87    HB3  ARG  13           1HB      ARG  13   7.579   5.380   1.177
   88    HG2  ARG  13           2HG      ARG  13   8.070   4.792   3.318
   89    HG3  ARG  13           1HG      ARG  13   6.467   4.111   3.599
   90    HD2  ARG  13           2HD      ARG  13   7.091   2.004   2.894
   91    HD3  ARG  13           1HD      ARG  13   8.260   2.634   1.716
   92    HE   ARG  13           HE       ARG  13   9.338   3.419   4.125
   93   HH11  ARG  13          1HH2      ARG  13   8.153   0.435   2.844
   94   HH12  ARG  13          2HH2      ARG  13   9.237  -0.542   3.776
   95   HH21  ARG  13          1HH1      ARG  13  10.755   2.151   5.342
   96   HH22  ARG  13          2HH1      ARG  13  10.707   0.428   5.188
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -2.966   6.846  -4.446
    2    HA2  GLY   1           2HA      GLY   1  -1.655   7.390  -2.478
    3    HA3  GLY   1           1HA      GLY   1  -3.072   7.060  -1.481
    4    H    CYS   2           H        CYS   2  -2.159   5.474  -0.157
    5    HA   CYS   2           HA       CYS   2  -1.725   2.837  -1.448
    6    HB2  CYS   2           2HB      CYS   2   0.318   4.575  -0.141
    7    HB3  CYS   2           1HB      CYS   2   0.410   2.843   0.186
    8    H    CYS   3           H        CYS   3  -1.865   4.734   1.563
    9    HA   CYS   3           HA       CYS   3  -2.115   2.601   3.418
   10    HB2  CYS   3           2HB      CYS   3  -2.871   5.486   3.235
   11    HB3  CYS   3           1HB      CYS   3  -3.549   4.549   4.567
   12    H    SER   4           H        SER   4  -4.459   3.968   1.180
   13    HA   SER   4           HA       SER   4  -6.661   2.395   2.445
   14    HB2  SER   4           2HB      SER   4  -8.094   3.882   1.242
   15    HB3  SER   4           1HB      SER   4  -6.770   4.888   1.819
   16    HG   SER   4           HG       SER   4  -7.438   4.988  -0.515
   17    H    ASP   5           H        ASP   5  -4.504   2.403  -0.267
   18    HA   ASP   5           HA       ASP   5  -6.136   0.837  -2.089
   19    HB2  ASP   5           2HB      ASP   5  -4.024   2.359  -2.424
   20    HB3  ASP   5           1HB      ASP   5  -3.126   0.893  -2.025
   21    HA   PRO   6           HA       PRO   6  -5.346  -3.098  -0.254
   22    HB2  PRO   6           2HB      PRO   6  -6.068  -4.684  -2.359
   23    HB3  PRO   6           1HB      PRO   6  -7.248  -3.796  -1.377
   24    HG2  PRO   6           2HG      PRO   6  -6.287  -3.253  -4.104
   25    HG3  PRO   6           1HG      PRO   6  -7.817  -2.816  -3.335
   26    HD2  PRO   6           2HD      PRO   6  -5.593  -1.135  -3.769
   27    HD3  PRO   6           1HD      PRO   6  -7.037  -0.765  -2.812
   28    H    ARG   7           H        ARG   7  -3.862  -2.087  -3.241
   29    HA   ARG   7           HA       ARG   7  -1.963  -4.324  -3.388
   30    HB2  ARG   7           2HB      ARG   7  -1.855  -1.617  -4.747
   31    HB3  ARG   7           1HB      ARG   7  -1.163  -3.131  -5.319
   32    HG2  ARG   7           2HG      ARG   7  -4.050  -3.300  -4.829
   33    HG3  ARG   7           1HG      ARG   7  -3.624  -2.116  -6.063
   34    HD2  ARG   7           2HD      ARG   7  -2.950  -3.726  -7.535
   35    HD3  ARG   7           1HD      ARG   7  -2.173  -4.690  -6.263
   36    HE   ARG   7           HE       ARG   7  -4.971  -4.736  -5.800
   37   HH11  ARG   7          1HH2      ARG   7  -2.616  -5.807  -8.085
   38   HH12  ARG   7          2HH2      ARG   7  -3.527  -7.194  -8.573
   39   HH21  ARG   7          1HH1      ARG   7  -6.172  -6.544  -6.429
   40   HH22  ARG   7          2HH1      ARG   7  -5.539  -7.611  -7.636
   41    H    CYS   8           H        CYS   8  -2.079  -1.062  -2.087
   42    HA   CYS   8           HA       CYS   8   0.805  -1.127  -1.349
   43    HB2  CYS   8           2HB      CYS   8  -1.258   0.824  -1.947
   44    HB3  CYS   8           1HB      CYS   8  -0.493   1.185  -0.402
   45    H    ARG   9           H        ARG   9  -1.122  -2.939  -0.082
   46    HA   ARG   9           HA       ARG   9  -2.297  -2.403   2.301
   47    HB2  ARG   9           2HB      ARG   9  -1.260  -4.612   3.057
   48    HB3  ARG   9           1HB      ARG   9  -2.057  -4.642   1.482
   49    HG2  ARG   9           2HG      ARG   9   0.202  -4.169   0.440
   50    HG3  ARG   9           1HG      ARG   9   0.912  -4.438   2.032
   51    HD2  ARG   9           2HD      ARG   9  -0.366  -6.701   1.998
   52    HD3  ARG   9           1HD      ARG   9  -0.503  -6.423   0.251
   53    HE   ARG   9           HE       ARG   9   2.155  -5.890   0.764
   54   HH11  ARG   9          1HH2      ARG   9  -0.001  -8.500   1.448
   55   HH12  ARG   9          2HH2      ARG   9   1.239  -9.707   1.396
   56   HH21  ARG   9          1HH1      ARG   9   3.779  -7.456   0.691
   57   HH22  ARG   9          2HH1      ARG   9   3.375  -9.119   0.967
   58    H    TYR  10           H        TYR  10   1.262  -2.562   1.894
   59    HA   TYR  10           HA       TYR  10   1.491  -1.214   4.566
   60    HB2  TYR  10           2HB      TYR  10   3.088  -3.433   3.271
   61    HB3  TYR  10           1HB      TYR  10   3.663  -2.552   4.687
   62    HD1  TYR  10           2HD      TYR  10   1.880  -2.316   6.646
   63    HD2  TYR  10           1HD      TYR  10   1.810  -5.356   3.611
   64    HE1  TYR  10           2HE      TYR  10   0.476  -3.744   8.108
   65    HE2  TYR  10           1HE      TYR  10   0.406  -6.784   5.075
   66    HH   TYR  10           HH       TYR  10  -0.007  -7.007   7.574
   67    H    ARG  11           H        ARG  11   2.405  -1.236   1.224
   68    HA   ARG  11           HA       ARG  11   4.780   0.445   1.546
   69    HB2  ARG  11           2HB      ARG  11   3.119  -0.698  -0.670
   70    HB3  ARG  11           1HB      ARG  11   4.224   0.624  -1.049
   71    HG2  ARG  11           2HG      ARG  11   5.874  -0.909  -1.166
   72    HG3  ARG  11           1HG      ARG  11   5.714  -1.103   0.580
   73    HD2  ARG  11           2HD      ARG  11   4.371  -3.015   0.379
   74    HD3  ARG  11           1HD      ARG  11   3.849  -2.593  -1.264
   75    HE   ARG  11           HE       ARG  11   6.249  -4.053  -0.610
   76   HH11  ARG  11          1HH2      ARG  11   4.940  -1.596  -2.656
   77   HH12  ARG  11          2HH2      ARG  11   6.052  -1.899  -3.948
   78   HH21  ARG  11          1HH1      ARG  11   7.697  -4.462  -2.289
   79   HH22  ARG  11          2HH1      ARG  11   7.612  -3.520  -3.740
   80    H    CYS  12           H        CYS  12   3.056   1.884   2.967
   81    HA   CYS  12           HA       CYS  12   1.590   3.800   1.251
   82    HB2  CYS  12           2HB      CYS  12   0.805   2.784   3.466
   83    HB3  CYS  12           1HB      CYS  12   1.985   3.832   4.250
   84    H    ARG  13           H        ARG  13   4.689   3.534   1.552
   85    HA   ARG  13           HA       ARG  13   6.533   5.018   1.687
   86    HB2  ARG  13           2HB      ARG  13   4.201   6.329   0.433
   87    HB3  ARG  13           1HB      ARG  13   5.446   7.445   0.993
   88    HG2  ARG  13           2HG      ARG  13   6.955   6.746  -0.563
   89    HG3  ARG  13           1HG      ARG  13   6.463   5.059  -0.425
   90    HD2  ARG  13           2HD      ARG  13   5.813   5.781  -2.635
   91    HD3  ARG  13           1HD      ARG  13   4.322   5.729  -1.675
   92    HE   ARG  13           HE       ARG  13   5.602   8.308  -1.440
   93   HH11  ARG  13          1HH2      ARG  13   3.698   6.292  -3.501
   94   HH12  ARG  13          2HH2      ARG  13   2.951   7.618  -4.325
   95   HH21  ARG  13          1HH1      ARG  13   4.633  10.046  -2.514
   96   HH22  ARG  13          2HH1      ARG  13   3.478   9.740  -3.766
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -5.222   7.037  -2.521
    2    HA2  GLY   1           2HA      GLY   1  -2.368   7.216  -2.007
    3    HA3  GLY   1           1HA      GLY   1  -3.633   7.113  -0.781
    4    H    CYS   2           H        CYS   2  -1.322   5.653  -0.403
    5    HA   CYS   2           HA       CYS   2  -1.695   2.906  -1.392
    6    HB2  CYS   2           2HB      CYS   2   0.257   4.460   0.265
    7    HB3  CYS   2           1HB      CYS   2   0.269   2.702   0.395
    8    H    CYS   3           H        CYS   3  -1.966   4.633   1.725
    9    HA   CYS   3           HA       CYS   3  -2.595   2.403   3.373
   10    HB2  CYS   3           2HB      CYS   3  -3.001   5.362   3.385
   11    HB3  CYS   3           1HB      CYS   3  -3.906   4.416   4.568
   12    H    SER   4           H        SER   4  -4.526   4.128   1.024
   13    HA   SER   4           HA       SER   4  -7.030   2.849   2.012
   14    HB2  SER   4           2HB      SER   4  -6.339   5.335   0.907
   15    HB3  SER   4           1HB      SER   4  -7.218   4.504  -0.373
   16    HG   SER   4           HG       SER   4  -8.769   3.992   1.395
   17    H    ASP   5           H        ASP   5  -4.513   2.090  -0.031
   18    HA   ASP   5           HA       ASP   5  -6.235   0.757  -2.076
   19    HB2  ASP   5           2HB      ASP   5  -4.064   2.291  -2.365
   20    HB3  ASP   5           1HB      ASP   5  -3.241   0.752  -2.110
   21    HA   PRO   6           HA       PRO   6  -5.385  -3.135  -0.178
   22    HB2  PRO   6           2HB      PRO   6  -6.013  -4.770  -2.276
   23    HB3  PRO   6           1HB      PRO   6  -7.242  -3.892  -1.345
   24    HG2  PRO   6           2HG      PRO   6  -6.195  -3.363  -4.047
   25    HG3  PRO   6           1HG      PRO   6  -7.770  -2.972  -3.345
   26    HD2  PRO   6           2HD      PRO   6  -5.607  -1.208  -3.725
   27    HD3  PRO   6           1HD      PRO   6  -7.084  -0.894  -2.793
   28    H    ARG   7           H        ARG   7  -3.864  -2.150  -3.158
   29    HA   ARG   7           HA       ARG   7  -1.899  -4.342  -3.178
   30    HB2  ARG   7           2HB      ARG   7  -1.877  -1.734  -4.719
   31    HB3  ARG   7           1HB      ARG   7  -1.162  -3.275  -5.194
   32    HG2  ARG   7           2HG      ARG   7  -3.738  -4.045  -4.865
   33    HG3  ARG   7           1HG      ARG   7  -3.983  -2.367  -5.360
   34    HD2  ARG   7           2HD      ARG   7  -2.679  -2.717  -7.389
   35    HD3  ARG   7           1HD      ARG   7  -2.260  -4.363  -6.874
   36    HE   ARG   7           HE       ARG   7  -5.128  -3.931  -6.864
   37   HH11  ARG   7          1HH2      ARG   7  -2.364  -4.610  -8.819
   38   HH12  ARG   7          2HH2      ARG   7  -3.266  -5.455 -10.031
   39   HH21  ARG   7          1HH1      ARG   7  -6.317  -5.030  -8.435
   40   HH22  ARG   7          2HH1      ARG   7  -5.504  -5.693  -9.813
   41    H    CYS   8           H        CYS   8  -2.144  -1.078  -1.916
   42    HA   CYS   8           HA       CYS   8   0.784  -1.008  -1.329
   43    HB2  CYS   8           2HB      CYS   8  -1.259   0.864  -2.051
   44    HB3  CYS   8           1HB      CYS   8  -0.644   1.308  -0.460
   45    H    ARG   9           H        ARG   9  -1.175  -2.746   0.139
   46    HA   ARG   9           HA       ARG   9  -1.999  -1.782   2.633
   47    HB2  ARG   9           2HB      ARG   9  -1.719  -4.167   3.320
   48    HB3  ARG   9           1HB      ARG   9  -2.479  -4.007   1.736
   49    HG2  ARG   9           2HG      ARG   9  -0.300  -4.379   0.646
   50    HG3  ARG   9           1HG      ARG   9   0.465  -4.537   2.228
   51    HD2  ARG   9           2HD      ARG   9  -1.631  -6.334   2.409
   52    HD3  ARG   9           1HD      ARG   9  -1.094  -6.517   0.726
   53    HE   ARG   9           HE       ARG   9   1.252  -6.358   2.252
   54   HH11  ARG   9          1HH2      ARG   9  -1.559  -8.354   2.041
   55   HH12  ARG   9          2HH2      ARG   9  -0.743  -9.781   2.583
   56   HH21  ARG   9          1HH1      ARG   9   2.323  -8.211   2.962
   57   HH22  ARG   9          2HH1      ARG   9   1.452  -9.700   3.106
   58    H    TYR  10           H        TYR  10   1.261  -2.929   1.706
   59    HA   TYR  10           HA       TYR  10   2.261  -2.070   4.396
   60    HB2  TYR  10           2HB      TYR  10   2.961  -4.146   2.373
   61    HB3  TYR  10           1HB      TYR  10   4.284  -3.474   3.323
   62    HD1  TYR  10           1HD      TYR  10   0.727  -4.018   4.322
   63    HD2  TYR  10           2HD      TYR  10   4.826  -5.186   4.858
   64    HE1  TYR  10           1HE      TYR  10   0.070  -5.436   6.245
   65    HE2  TYR  10           2HE      TYR  10   4.168  -6.607   6.783
   66    HH   TYR  10           HH       TYR  10   1.420  -7.751   7.366
   67    H    ARG  11           H        ARG  11   2.125  -0.989   1.200
   68    HA   ARG  11           HA       ARG  11   4.811   0.177   1.097
   69    HB2  ARG  11           2HB      ARG  11   2.385  -0.054  -0.600
   70    HB3  ARG  11           1HB      ARG  11   3.438   1.321  -0.928
   71    HG2  ARG  11           2HG      ARG  11   4.560  -0.187  -2.221
   72    HG3  ARG  11           1HG      ARG  11   5.290  -0.648  -0.684
   73    HD2  ARG  11           2HD      ARG  11   2.842  -2.048  -0.788
   74    HD3  ARG  11           1HD      ARG  11   3.566  -2.217  -2.398
   75    HE   ARG  11           HE       ARG  11   5.498  -2.555  -0.234
   76   HH11  ARG  11          1HH2      ARG  11   3.116  -4.038  -2.249
   77   HH12  ARG  11          2HH2      ARG  11   3.774  -5.629  -2.073
   78   HH21  ARG  11          1HH1      ARG  11   6.364  -4.625   0.000
   79   HH22  ARG  11          2HH1      ARG  11   5.610  -5.963  -0.801
   80    H    CYS  12           H        CYS  12   2.242   0.969   2.932
   81    HA   CYS  12           HA       CYS  12   2.305   3.894   2.485
   82    HB2  CYS  12           2HB      CYS  12   0.370   2.167   3.134
   83    HB3  CYS  12           1HB      CYS  12   0.905   2.579   4.763
   84    H    ARG  13           H        ARG  13   4.566   2.084   3.701
   85    HA   ARG  13           HA       ARG  13   5.992   2.096   5.608
   86    HB2  ARG  13           2HB      ARG  13   7.248   4.019   5.364
   87    HB3  ARG  13           1HB      ARG  13   6.253   4.146   3.917
   88    HG2  ARG  13           2HG      ARG  13   5.856   6.242   4.752
   89    HG3  ARG  13           1HG      ARG  13   4.626   5.388   5.680
   90    HD2  ARG  13           2HD      ARG  13   6.836   4.997   7.256
   91    HD3  ARG  13           1HD      ARG  13   7.138   6.622   6.611
   92    HE   ARG  13           HE       ARG  13   4.930   5.868   8.380
   93   HH11  ARG  13          1HH2      ARG  13   6.100   8.017   5.940
   94   HH12  ARG  13          2HH2      ARG  13   5.062   9.320   6.410
   95   HH21  ARG  13          1HH1      ARG  13   3.575   7.564   8.999
   96   HH22  ARG  13          2HH1      ARG  13   3.633   9.065   8.136
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -3.236   7.020  -5.054
    2    HA2  GLY   1           2HA      GLY   1  -2.250   7.085  -2.914
    3    HA3  GLY   1           1HA      GLY   1  -3.812   6.443  -2.404
    4    H    CYS   2           H        CYS   2  -2.527   5.274  -0.748
    5    HA   CYS   2           HA       CYS   2  -1.726   2.614  -1.770
    6    HB2  CYS   2           2HB      CYS   2   0.069   4.709  -0.639
    7    HB3  CYS   2           1HB      CYS   2   0.364   3.047  -0.125
    8    H    CYS   3           H        CYS   3  -1.638   4.610   1.211
    9    HA   CYS   3           HA       CYS   3  -1.902   2.603   3.126
   10    HB2  CYS   3           2HB      CYS   3  -2.807   5.447   2.850
   11    HB3  CYS   3           1HB      CYS   3  -3.297   4.538   4.279
   12    H    SER   4           H        SER   4  -4.609   4.322   1.506
   13    HA   SER   4           HA       SER   4  -6.560   2.424   2.637
   14    HB2  SER   4           2HB      SER   4  -8.106   3.904   1.250
   15    HB3  SER   4           1HB      SER   4  -7.166   4.745   2.478
   16    HG   SER   4           HG       SER   4  -6.790   4.640  -0.317
   17    H    ASP   5           H        ASP   5  -4.372   1.988   0.319
   18    HA   ASP   5           HA       ASP   5  -6.185   0.848  -1.752
   19    HB2  ASP   5           2HB      ASP   5  -3.996   2.365  -1.968
   20    HB3  ASP   5           1HB      ASP   5  -3.192   0.798  -1.878
   21    HA   PRO   6           HA       PRO   6  -5.330  -3.227  -0.292
   22    HB2  PRO   6           2HB      PRO   6  -6.070  -4.630  -2.518
   23    HB3  PRO   6           1HB      PRO   6  -7.241  -3.828  -1.454
   24    HG2  PRO   6           2HG      PRO   6  -6.323  -3.072  -4.141
   25    HG3  PRO   6           1HG      PRO   6  -7.826  -2.669  -3.303
   26    HD2  PRO   6           2HD      PRO   6  -5.547  -1.016  -3.645
   27    HD3  PRO   6           1HD      PRO   6  -6.996  -0.669  -2.686
   28    H    ARG   7           H        ARG   7  -3.845  -1.989  -3.200
   29    HA   ARG   7           HA       ARG   7  -1.931  -4.240  -3.414
   30    HB2  ARG   7           2HB      ARG   7  -1.733  -1.652  -4.928
   31    HB3  ARG   7           1HB      ARG   7  -1.412  -3.290  -5.489
   32    HG2  ARG   7           2HG      ARG   7  -4.090  -3.398  -4.845
   33    HG3  ARG   7           1HG      ARG   7  -3.921  -1.762  -5.485
   34    HD2  ARG   7           2HD      ARG   7  -3.493  -2.506  -7.609
   35    HD3  ARG   7           1HD      ARG   7  -2.539  -3.891  -7.034
   36    HE   ARG   7           HE       ARG   7  -5.062  -4.501  -6.159
   37   HH11  ARG   7          1HH2      ARG   7  -3.728  -3.518  -9.191
   38   HH12  ARG   7          2HH2      ARG   7  -4.918  -4.356 -10.132
   39   HH21  ARG   7          1HH1      ARG   7  -6.617  -5.597  -7.379
   40   HH22  ARG   7          2HH1      ARG   7  -6.552  -5.528  -9.109
   41    H    CYS   8           H        CYS   8  -2.182  -1.182  -1.853
   42    HA   CYS   8           HA       CYS   8   0.783  -1.075  -1.408
   43    HB2  CYS   8           2HB      CYS   8  -1.305   0.823  -2.067
   44    HB3  CYS   8           1HB      CYS   8  -0.491   1.300  -0.579
   45    H    ARG   9           H        ARG   9  -1.323  -2.693   0.060
   46    HA   ARG   9           HA       ARG   9  -2.067  -1.644   2.549
   47    HB2  ARG   9           2HB      ARG   9  -1.966  -4.062   3.248
   48    HB3  ARG   9           1HB      ARG   9  -2.788  -3.800   1.709
   49    HG2  ARG   9           2HG      ARG   9  -0.105  -4.094   1.001
   50    HG3  ARG   9           1HG      ARG   9  -0.351  -5.299   2.265
   51    HD2  ARG   9           2HD      ARG   9  -2.599  -5.240   0.398
   52    HD3  ARG   9           1HD      ARG   9  -1.065  -5.593  -0.417
   53    HE   ARG   9           HE       ARG   9  -0.862  -7.582   0.871
   54   HH11  ARG   9          1HH2      ARG   9  -3.400  -5.528   2.018
   55   HH12  ARG   9          2HH2      ARG   9  -4.047  -6.718   3.093
   56   HH21  ARG   9          1HH1      ARG   9  -1.702  -9.131   2.275
   57   HH22  ARG   9          2HH1      ARG   9  -3.087  -8.750   3.242
   58    H    TYR  10           H        TYR  10   1.122  -2.807   1.530
   59    HA   TYR  10           HA       TYR  10   2.160  -2.542   4.295
   60    HB2  TYR  10           2HB      TYR  10   3.536  -3.351   1.720
   61    HB3  TYR  10           1HB      TYR  10   4.117  -3.634   3.358
   62    HD1  TYR  10           1HD      TYR  10   2.195  -4.788   4.924
   63    HD2  TYR  10           2HD      TYR  10   2.570  -5.182   0.664
   64    HE1  TYR  10           1HE      TYR  10   0.925  -6.917   5.010
   65    HE2  TYR  10           2HE      TYR  10   1.301  -7.312   0.749
   66    HH   TYR  10           HH       TYR  10   0.675  -8.960   3.661
   67    H    ARG  11           H        ARG  11   2.317  -0.935   1.172
   68    HA   ARG  11           HA       ARG  11   4.505   0.845   1.981
   69    HB2  ARG  11           2HB      ARG  11   2.621   0.726  -0.392
   70    HB3  ARG  11           1HB      ARG  11   3.962   1.865  -0.262
   71    HG2  ARG  11           2HG      ARG  11   5.251   0.260  -1.189
   72    HG3  ARG  11           1HG      ARG  11   5.122  -0.590   0.352
   73    HD2  ARG  11           2HD      ARG  11   2.738  -1.268  -0.845
   74    HD3  ARG  11           1HD      ARG  11   3.848  -1.215  -2.229
   75    HE   ARG  11           HE       ARG  11   3.951  -3.149  -0.071
   76   HH11  ARG  11          1HH2      ARG  11   5.805  -1.268  -2.294
   77   HH12  ARG  11          2HH2      ARG  11   7.146  -2.364  -2.301
   78   HH21  ARG  11          1HH1      ARG  11   5.691  -4.583  -0.071
   79   HH22  ARG  11          2HH1      ARG  11   7.081  -4.239  -1.045
   80    H    CYS  12           H        CYS  12   2.378   1.021   3.828
   81    HA   CYS  12           HA       CYS  12   0.822   3.441   3.146
   82    HB2  CYS  12           2HB      CYS  12  -0.145   1.458   4.299
   83    HB3  CYS  12           1HB      CYS  12   0.967   1.719   5.642
   84    H    ARG  13           H        ARG  13   3.912   2.936   4.130
   85    HA   ARG  13           HA       ARG  13   3.932   5.418   5.817
   86    HB2  ARG  13           2HB      ARG  13   5.541   4.370   7.233
   87    HB3  ARG  13           1HB      ARG  13   4.323   3.130   6.937
   88    HG2  ARG  13           2HG      ARG  13   5.980   1.798   6.195
   89    HG3  ARG  13           1HG      ARG  13   6.140   2.880   4.811
   90    HD2  ARG  13           2HD      ARG  13   7.442   3.903   7.249
   91    HD3  ARG  13           1HD      ARG  13   8.151   2.398   6.633
   92    HE   ARG  13           HE       ARG  13   8.149   4.981   5.247
   93   HH11  ARG  13          1HH2      ARG  13   8.276   1.537   4.989
   94   HH12  ARG  13          2HH2      ARG  13   9.098   1.554   3.465
   95   HH21  ARG  13          1HH1      ARG  13   9.221   5.011   3.262
   96   HH22  ARG  13          2HH1      ARG  13   9.633   3.517   2.490
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -5.486   5.857  -3.849
    2    HA2  GLY   1           2HA      GLY   1  -2.999   7.086  -2.759
    3    HA3  GLY   1           1HA      GLY   1  -4.412   6.644  -1.800
    4    H    CYS   2           H        CYS   2  -2.235   5.665  -0.720
    5    HA   CYS   2           HA       CYS   2  -1.985   2.847  -1.714
    6    HB2  CYS   2           2HB      CYS   2  -0.094   4.882  -0.642
    7    HB3  CYS   2           1HB      CYS   2   0.196   3.209  -0.178
    8    H    CYS   3           H        CYS   3  -1.820   4.795   1.308
    9    HA   CYS   3           HA       CYS   3  -1.946   2.737   3.193
   10    HB2  CYS   3           2HB      CYS   3  -2.858   5.568   3.003
   11    HB3  CYS   3           1HB      CYS   3  -3.457   4.628   4.369
   12    H    SER   4           H        SER   4  -4.647   4.190   1.370
   13    HA   SER   4           HA       SER   4  -6.546   2.271   2.627
   14    HB2  SER   4           2HB      SER   4  -7.286   4.546   2.547
   15    HB3  SER   4           1HB      SER   4  -6.763   4.730   0.875
   16    HG   SER   4           HG       SER   4  -8.446   3.511   0.209
   17    H    ASP   5           H        ASP   5  -4.385   1.885   0.323
   18    HA   ASP   5           HA       ASP   5  -6.186   0.798  -1.790
   19    HB2  ASP   5           2HB      ASP   5  -3.989   2.324  -1.950
   20    HB3  ASP   5           1HB      ASP   5  -3.199   0.747  -1.917
   21    HA   PRO   6           HA       PRO   6  -5.310  -3.295  -0.402
   22    HB2  PRO   6           2HB      PRO   6  -5.886  -4.686  -2.683
   23    HB3  PRO   6           1HB      PRO   6  -7.132  -3.926  -1.675
   24    HG2  PRO   6           2HG      PRO   6  -6.093  -3.115  -4.299
   25    HG3  PRO   6           1HG      PRO   6  -7.644  -2.750  -3.533
   26    HD2  PRO   6           2HD      PRO   6  -5.375  -1.058  -3.739
   27    HD3  PRO   6           1HD      PRO   6  -6.881  -0.738  -2.861
   28    H    ARG   7           H        ARG   7  -3.680  -1.998  -3.204
   29    HA   ARG   7           HA       ARG   7  -1.704  -4.194  -3.326
   30    HB2  ARG   7           2HB      ARG   7  -1.662  -1.512  -4.732
   31    HB3  ARG   7           1HB      ARG   7  -0.948  -3.030  -5.275
   32    HG2  ARG   7           2HG      ARG   7  -3.445  -3.886  -5.140
   33    HG3  ARG   7           1HG      ARG   7  -3.818  -2.169  -5.296
   34    HD2  ARG   7           2HD      ARG   7  -2.677  -2.013  -7.402
   35    HD3  ARG   7           1HD      ARG   7  -1.944  -3.616  -7.195
   36    HE   ARG   7           HE       ARG   7  -4.847  -3.700  -7.032
   37   HH11  ARG   7          1HH2      ARG   7  -2.096  -3.622  -9.120
   38   HH12  ARG   7          2HH2      ARG   7  -2.899  -4.432 -10.423
   39   HH21  ARG   7          1HH1      ARG   7  -5.905  -4.762  -8.724
   40   HH22  ARG   7          2HH1      ARG   7  -5.052  -5.079 -10.199
   41    H    CYS   8           H        CYS   8  -1.998  -0.905  -2.103
   42    HA   CYS   8           HA       CYS   8   0.860  -0.838  -1.280
   43    HB2  CYS   8           2HB      CYS   8  -1.383   1.028  -1.752
   44    HB3  CYS   8           1HB      CYS   8  -0.344   1.453  -0.399
   45    H    ARG   9           H        ARG   9  -1.280  -2.610  -0.055
   46    HA   ARG   9           HA       ARG   9  -2.323  -1.854   2.376
   47    HB2  ARG   9           2HB      ARG   9  -1.871  -4.239   3.047
   48    HB3  ARG   9           1HB      ARG   9  -2.564  -4.074   1.435
   49    HG2  ARG   9           2HG      ARG   9   0.029  -3.947   0.766
   50    HG3  ARG   9           1HG      ARG   9   0.183  -4.901   2.241
   51    HD2  ARG   9           2HD      ARG   9  -1.520  -5.569  -0.185
   52    HD3  ARG   9           1HD      ARG   9  -0.123  -6.474   0.427
   53    HE   ARG   9           HE       ARG   9  -2.047  -6.173   2.531
   54   HH11  ARG   9          1HH2      ARG   9  -1.493  -7.801  -0.466
   55   HH12  ARG   9          2HH2      ARG   9  -2.461  -9.174  -0.046
   56   HH21  ARG   9          1HH1      ARG   9  -3.309  -7.962   3.088
   57   HH22  ARG   9          2HH1      ARG   9  -3.483  -9.268   1.963
   58    H    TYR  10           H        TYR  10   1.098  -2.842   1.882
   59    HA   TYR  10           HA       TYR  10   1.662  -1.815   4.639
   60    HB2  TYR  10           2HB      TYR  10   3.213  -3.690   2.828
   61    HB3  TYR  10           1HB      TYR  10   3.629  -3.297   4.496
   62    HD1  TYR  10           2HD      TYR  10   0.706  -3.177   5.497
   63    HD2  TYR  10           1HD      TYR  10   2.879  -6.066   3.179
   64    HE1  TYR  10           2HE      TYR  10  -0.812  -4.965   6.303
   65    HE2  TYR  10           1HE      TYR  10   1.362  -7.855   3.985
   66    HH   TYR  10           HH       TYR  10  -0.867  -8.098   4.907
   67    H    ARG  11           H        ARG  11   2.506  -1.467   1.250
   68    HA   ARG  11           HA       ARG  11   4.763   0.349   1.856
   69    HB2  ARG  11           2HB      ARG  11   3.479  -0.577  -0.732
   70    HB3  ARG  11           1HB      ARG  11   5.000   0.307  -0.608
   71    HG2  ARG  11           2HG      ARG  11   6.085  -1.639  -0.312
   72    HG3  ARG  11           1HG      ARG  11   5.168  -1.905   1.171
   73    HD2  ARG  11           2HD      ARG  11   3.386  -3.015  -0.062
   74    HD3  ARG  11           1HD      ARG  11   4.171  -2.629  -1.607
   75    HE   ARG  11           HE       ARG  11   5.921  -4.045   0.252
   76   HH11  ARG  11          1HH2      ARG  11   3.493  -4.280  -2.192
   77   HH12  ARG  11          2HH2      ARG  11   3.967  -5.870  -2.691
   78   HH21  ARG  11          1HH1      ARG  11   6.549  -6.115  -0.390
   79   HH22  ARG  11          2HH1      ARG  11   5.695  -6.908  -1.673
   80    H    CYS  12           H        CYS  12   3.228   1.973   2.945
   81    HA   CYS  12           HA       CYS  12   1.466   3.444   1.078
   82    HB2  CYS  12           2HB      CYS  12   0.894   2.876   3.482
   83    HB3  CYS  12           1HB      CYS  12   2.138   4.027   3.971
   84    H    ARG  13           H        ARG  13   4.681   3.402   1.460
   85    HA   ARG  13           HA       ARG  13   5.136   5.968   0.263
   86    HB2  ARG  13           2HB      ARG  13   6.137   7.087   2.249
   87    HB3  ARG  13           1HB      ARG  13   4.426   6.735   2.492
   88    HG2  ARG  13           2HG      ARG  13   5.077   5.730   4.414
   89    HG3  ARG  13           1HG      ARG  13   5.651   4.421   3.378
   90    HD2  ARG  13           2HD      ARG  13   7.638   4.880   4.475
   91    HD3  ARG  13           1HD      ARG  13   7.773   6.100   3.193
   92    HE   ARG  13           HE       ARG  13   6.229   7.004   5.509
   93   HH11  ARG  13          1HH2      ARG  13   9.338   6.675   4.032
   94   HH12  ARG  13          2HH2      ARG  13  10.044   7.971   4.937
   95   HH21  ARG  13          1HH1      ARG  13   7.145   8.692   6.694
   96   HH22  ARG  13          2HH1      ARG  13   8.807   9.110   6.442