*HEADER    ANTIMICROBIAL PROTEIN                   18-SEP-12   2LYE              
*TITLE     HIGH RESOLUTION NMR SOLUTION STRUCTURE OF A SYMMETRICAL THETA-        
*TITLE    2 DEFENSIN, BTD-2                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BTD-2;                                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS                         
*KEYWDS    THETA-DEFENSIN, CYCLIC PEPTIDES, CYCLIC CYSTINE LADDER, ANTIMICROBIAL 
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.C.CONIBEAR, K.ROSENGREN, P.J.HARVEY, D.J.CRAIK                      
*REVDAT   1   28-NOV-12 2LYE    0                                                


! H proton - H proton
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   3.000    1.200    1.200  
assign (resid   6 and name   HN)   (resid   6 and name   HB)   2.610    0.810    0.810  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.920    1.120    1.120  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.735    0.935    0.935  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.640    0.840    0.840  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.920    1.120    1.120  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.380    0.580    0.580  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.350    0.550    0.550  
assign (resid   8 and name   HN)   (resid  11 and name   HB)   2.845    1.045    1.045  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.210    0.410    0.410  
assign (resid   8 and name   HN)   (resid  12 and name   HA)   2.455    0.655    0.655  
assign (resid   7 and name   HA)   (resid  12 and name   HA)   2.180    0.180    0.380 
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   3.015    1.215    1.215  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.580    0.780    0.780  
assign (resid  12 and name   HA)   (resid  12 and name  HB1)   2.315    0.515    0.515  
assign (resid   7 and name   HA)   (resid  13 and name   HN)   2.485    0.685    0.685  
assign (resid  14 and name   HN)   (resid  13 and name   HA)   2.610    0.810    0.810  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.100    0.300    0.300  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   2.825    1.025    1.025  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.520    0.720    0.720  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.100    0.300    0.300  
assign (resid   7 and name   HA)   (resid   7 and name  HB1)   2.380    0.580    0.580  
assign (resid   9 and name   HA)   (resid   9 and name  HB1)   2.410    0.610    0.610  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   2.425    0.625    0.625  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.410    0.610    0.610  
assign (resid   8 and name   HN)   (resid  11 and name   HN)   2.610    0.810    0.810  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.425    0.625    0.625  
assign (resid   6 and name   HN)   (resid   6 and name  HG*)   4.220    2.420    2.420  
assign (resid  11 and name   HN)   (resid  11 and name  HG*)   4.670    2.870    2.870  
assign (resid  11 and name  HG*)   (resid  12 and name   HN)   4.670    2.870    2.870  
assign (resid   9 and name  HD#)   (resid  11 and name  HG*)   5.140    3.340    3.340  
assign (resid   6 and name  HG*)   (resid  13 and name   HN)   4.700    2.900    2.900  
assign (resid   8 and name   HN)   (resid   8 and name  HG#)   3.370    1.570    1.570  
assign (resid   8 and name  HG#)   (resid   9 and name  HB1)   2.485    0.685    0.685  
assign (resid  10 and name   HN)   (resid  10 and name  HA#)   2.145    0.345    0.345  
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   3.570    1.770    1.770  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   3.000    1.200    1.200  
assign (resid  15 and name   HN)   (resid  15 and name   HB)   2.610    0.810    0.810  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.920    1.120    1.120  
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.735    0.935    0.935  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.640    0.840    0.840  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.920    1.120    1.120  
assign (resid  18 and name   HA)   (resid   1 and name   HN)   2.380    0.580    0.580  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.350    0.550    0.550  
assign (resid  17 and name   HN)   (resid   2 and name   HB)   2.845    1.045    1.045  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.210    0.410    0.410  
assign (resid  17 and name   HN)   (resid   3 and name   HA)   2.455    0.655    0.655  
assign (resid  16 and name   HA)   (resid   3 and name   HA)   2.180    0.180    0.380
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   3.015    1.215    1.215  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   2.580    0.780    0.780  
assign (resid   3 and name   HA)   (resid   3 and name  HB1)   2.315    0.515    0.515  
assign (resid  16 and name   HA)   (resid   4 and name   HN)   2.485    0.685    0.685  
assign (resid   5 and name   HN)   (resid   4 and name   HA)   2.610    0.810    0.810  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.100    0.300    0.300  
assign (resid  14 and name  HB2)   (resid  15 and name   HN)   2.825    1.025    1.025  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.520    0.720    0.720  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.100    0.300    0.300  
assign (resid  16 and name   HA)   (resid  16 and name  HB1)   2.380    0.580    0.580  
assign (resid  18 and name   HA)   (resid  18 and name  HB1)   2.410    0.610    0.610  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.425    0.625    0.625  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   2.410    0.610    0.610  
assign (resid  17 and name   HN)   (resid   2 and name   HN)   2.610    0.810    0.810  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.425    0.625    0.625  
assign (resid  15 and name   HN)   (resid  15 and name  HG*)   4.220    2.420    2.420  
assign (resid   2 and name   HN)   (resid   2 and name  HG*)   4.670    2.870    2.870  
assign (resid   2 and name  HG*)   (resid   3 and name   HN)   4.670    2.870    2.870  
assign (resid  17 and name  HD#)   (resid   2 and name  HG*)   5.140    3.340    3.340  
assign (resid  15 and name  HG*)   (resid   4 and name   HN)   4.700    2.900    2.900  
assign (resid  17 and name   HN)   (resid  17 and name  HG#)   3.370    1.570    1.570  
assign (resid  17 and name  HG#)   (resid  18 and name  HB1)   2.485    0.685    0.685  
assign (resid   1 and name   HN)   (resid   1 and name  HA#)   2.145    0.345    0.345  
assign (resid   4 and name   HN)   (resid   4 and name  HG#)   3.570    1.770    1.770  
assign (resid  14 and name   HA)   (resid   5 and name   HA)   2.180    0.180    100.0 
!
!Dihedral angles
assign (resid    1 and name N    ) (resid    1 and name CA   )
       (resid    1 and name C    ) (resid    2 and name N    )    1.0   -2.1   17.4 2
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0 -111.1   43.5 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  130.0   31.6 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -112.6   36.1 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  140.7   18.7 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    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0 -119.8   26.5 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  124.2   14.6 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -120.4   32.6 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  141.9   24.1 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name CB   ) (resid    5 and name SG   )    1.0  -60.0   30.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -121.9   24.1 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  128.7   11.7 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -118.9   39.9 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  142.0   21.5 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name CB   ) (resid    7 and name SG   )    1.0  -60.0   30.0 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -138.0   41.4 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  131.4   44.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0   51.4   11.8 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0   40.9   11.9 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0  180.0   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   80.6   11.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0   -2.1   17.4 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -92.3   40.5 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  138.1   28.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -112.6   36.1 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  140.7   18.7 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name CB   ) (resid   12 and name SG   )    1.0  -60.0   30.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0 -119.8   26.5 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  124.2   14.6 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -120.4   32.6 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  141.9   24.1 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name CB   ) (resid   14 and name SG   )    1.0  -60.0   30.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -121.9   24.1 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  128.7   11.7 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -118.9   39.9 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  142.0   21.5 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name CB   ) (resid   16 and name SG   )    1.0  -60.0   30.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0 -138.0   41.4 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  131.4   44.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0   51.4   11.8 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG   )    1.0  180.0   30.0 2
!
!Hbonds
assign (resid   2 and name   HN)   (resid  17 and name    O)   1.900    0.100    0.100  
assign (resid   2 and name    N)   (resid  17 and name    O)   2.400    0.600    0.600  
assign (resid   2 and name    O)   (resid  17 and name   HN)   1.900    0.100    0.100  
assign (resid   2 and name    O)   (resid  17 and name    N)   2.400    0.600    0.600  
assign (resid   4 and name   HN)   (resid  15 and name    O)   1.900    0.100    0.100  
assign (resid   4 and name    N)   (resid  15 and name    O)   2.400    0.600    0.600  
assign (resid   4 and name    O)   (resid  15 and name   HN)   1.900    0.100    0.100  
assign (resid   4 and name    O)   (resid  15 and name    N)   2.400    0.600    0.600  
assign (resid   6 and name   HN)   (resid  13 and name    O)   1.900    0.100    0.100  
assign (resid   6 and name    N)   (resid  13 and name    O)   2.400    0.600    0.600  
assign (resid   6 and name    O)   (resid  13 and name   HN)   1.900    0.100    0.100  
assign (resid   6 and name    O)   (resid  13 and name    N)   2.400    0.600    0.600  
assign (resid   8 and name   HN)   (resid  11 and name    O)   1.900    0.100    0.100  
assign (resid   8 and name    N)   (resid  11 and name    O)   2.400    0.600    0.600  
assign (resid   8 and name    O)   (resid  11 and name   HN)   1.900    0.100    0.100  
assign (resid   8 and name    O)   (resid  11 and name    N)   2.400    0.600    0.600  


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -11.552  -2.467   1.114
    2    HA2  GLY   1           2HA      GLY   1 -11.554  -4.720   0.504
    3    HA3  GLY   1           1HA      GLY   1 -12.675  -4.344  -0.795
    4    H    VAL   2           H        VAL   2 -10.610  -2.052  -1.378
    5    HA   VAL   2           HA       VAL   2  -9.045  -3.665  -3.232
    6    HB   VAL   2           HB       VAL   2  -9.398  -0.652  -3.057
    7   HG11  VAL   2          1HG1      VAL   2  -8.148  -2.330  -5.230
    8   HG12  VAL   2          2HG1      VAL   2  -7.289  -1.269  -4.114
    9   HG13  VAL   2          3HG1      VAL   2  -8.404  -0.587  -5.298
   10   HG21  VAL   2          3HG2      VAL   2 -10.670  -2.635  -4.944
   11   HG22  VAL   2          1HG2      VAL   2 -10.833  -0.882  -5.036
   12   HG23  VAL   2          2HG2      VAL   2 -11.490  -1.757  -3.650
   13    H    CYS   3           H        CYS   3  -7.044  -4.191  -2.600
   14    HA   CYS   3           HA       CYS   3  -5.766  -2.403  -0.685
   15    HB2  CYS   3           2HB      CYS   3  -5.167  -5.319  -1.208
   16    HB3  CYS   3           1HB      CYS   3  -4.327  -4.300  -0.050
   17    H    ARG   4           H        ARG   4  -4.222  -1.232  -1.333
   18    HA   ARG   4           HA       ARG   4  -2.812  -1.958  -3.818
   19    HB2  ARG   4           2HB      ARG   4  -2.154   0.418  -3.989
   20    HB3  ARG   4           1HB      ARG   4  -3.902   0.244  -3.968
   21    HG2  ARG   4           2HG      ARG   4  -4.037   1.046  -1.732
   22    HG3  ARG   4           1HG      ARG   4  -2.289   0.945  -1.523
   23    HD2  ARG   4           2HD      ARG   4  -2.969   3.255  -1.861
   24    HD3  ARG   4           1HD      ARG   4  -1.989   2.694  -3.210
   25    HE   ARG   4           HE       ARG   4  -4.869   2.541  -3.509
   26   HH11  ARG   4          1HH1      ARG   4  -1.884   4.348  -4.237
   27   HH12  ARG   4          2HH1      ARG   4  -2.592   5.261  -5.483
   28   HH21  ARG   4          1HH2      ARG   4  -5.814   3.824  -5.228
   29   HH22  ARG   4          2HH2      ARG   4  -4.867   4.965  -6.063
   30    H    CYS   5           H        CYS   5  -0.598  -2.224  -3.744
   31    HA   CYS   5           HA       CYS   5   0.599  -1.687  -1.132
   32    HB2  CYS   5           2HB      CYS   5   1.374  -3.865  -3.019
   33    HB3  CYS   5           1HB      CYS   5   2.136  -3.510  -1.489
   34    H    VAL   6           H        VAL   6   2.125  -0.474  -1.072
   35    HA   VAL   6           HA       VAL   6   3.450   0.459  -3.530
   36    HB   VAL   6           HB       VAL   6   3.384   1.760  -0.781
   37   HG11  VAL   6          1HG1      VAL   6   5.394   2.343  -2.005
   38   HG12  VAL   6          2HG1      VAL   6   4.319   3.739  -1.910
   39   HG13  VAL   6          3HG1      VAL   6   4.434   2.808  -3.406
   40   HG21  VAL   6          3HG2      VAL   6   1.867   2.512  -3.284
   41   HG22  VAL   6          1HG2      VAL   6   1.887   3.435  -1.780
   42   HG23  VAL   6          2HG2      VAL   6   1.172   1.820  -1.822
   43    H    CYS   7           H        CYS   7   5.384  -0.446  -3.832
   44    HA   CYS   7           HA       CYS   7   6.725  -1.444  -1.452
   45    HB2  CYS   7           2HB      CYS   7   7.141  -2.321  -4.309
   46    HB3  CYS   7           1HB      CYS   7   7.962  -2.932  -2.871
   47    H    ARG   8           H        ARG   8   8.480  -0.713  -0.817
   48    HA   ARG   8           HA       ARG   8  10.223   0.796  -2.581
   49    HB2  ARG   8           2HB      ARG   8  10.400   2.672  -0.997
   50    HB3  ARG   8           1HB      ARG   8   8.780   2.547  -1.661
   51    HG2  ARG   8           2HG      ARG   8   7.994   1.530   0.415
   52    HG3  ARG   8           1HG      ARG   8   9.648   1.546   1.036
   53    HD2  ARG   8           2HD      ARG   8   8.275   3.382   1.945
   54    HD3  ARG   8           1HD      ARG   8   9.671   3.957   1.043
   55    HE   ARG   8           HE       ARG   8   7.937   4.179  -0.852
   56   HH11  ARG   8          1HH1      ARG   8   7.194   4.770   2.569
   57   HH12  ARG   8          2HH1      ARG   8   6.121   6.044   2.239
   58   HH21  ARG   8          1HH2      ARG   8   6.439   5.905  -1.274
   59   HH22  ARG   8          2HH2      ARG   8   5.700   6.718   0.014
   60    H    ARG   9           H        ARG   9  12.197   0.088  -2.244
   61    HA   ARG   9           HA       ARG   9  14.097  -0.624  -1.257
   62    HB2  ARG   9           2HB      ARG   9  13.767   1.322   0.193
   63    HB3  ARG   9           1HB      ARG   9  12.711   0.405   1.240
   64    HG2  ARG   9           2HG      ARG   9  14.915   0.745   2.246
   65    HG3  ARG   9           1HG      ARG   9  14.628  -0.968   1.932
   66    HD2  ARG   9           2HD      ARG   9  15.978  -0.842  -0.071
   67    HD3  ARG   9           1HD      ARG   9  16.223   0.887   0.173
   68    HE   ARG   9           HE       ARG   9  17.017  -0.865   2.327
   69   HH11  ARG   9          1HH1      ARG   9  18.059   0.905  -0.535
   70   HH12  ARG   9          2HH1      ARG   9  19.688   1.046  -0.062
   71   HH21  ARG   9          1HH2      ARG   9  19.238  -0.684   3.006
   72   HH22  ARG   9          2HH2      ARG   9  20.373   0.129   2.022
   73    H    GLY  10           H        GLY  10  11.827  -2.373  -1.653
   74    HA2  GLY  10           2HA      GLY  10  11.559  -4.689  -1.417
   75    HA3  GLY  10           1HA      GLY  10  12.734  -4.659  -0.114
   76    H    VAL  11           H        VAL  11  10.747  -2.307   0.778
   77    HA   VAL  11           HA       VAL  11   9.152  -4.065   2.475
   78    HB   VAL  11           HB       VAL  11   9.613  -1.066   2.639
   79   HG11  VAL  11          1HG1      VAL  11   7.528  -1.733   3.692
   80   HG12  VAL  11          2HG1      VAL  11   8.705  -1.237   4.908
   81   HG13  VAL  11          3HG1      VAL  11   8.378  -2.948   4.641
   82   HG21  VAL  11          3HG2      VAL  11  11.690  -2.274   3.023
   83   HG22  VAL  11          1HG2      VAL  11  10.900  -3.282   4.236
   84   HG23  VAL  11          2HG2      VAL  11  11.109  -1.552   4.522
   85    H    CYS  12           H        CYS  12   7.022  -4.312   1.978
   86    HA   CYS  12           HA       CYS  12   5.937  -2.354   0.117
   87    HB2  CYS  12           2HB      CYS  12   5.061  -5.202   0.603
   88    HB3  CYS  12           1HB      CYS  12   4.252  -4.078  -0.488
   89    H    ARG  13           H        ARG  13   4.555  -1.005   0.823
   90    HA   ARG  13           HA       ARG  13   3.223  -1.465   3.384
   91    HB2  ARG  13           2HB      ARG  13   3.421   1.093   1.770
   92    HB3  ARG  13           1HB      ARG  13   2.875   0.932   3.433
   93    HG2  ARG  13           2HG      ARG  13   5.676   0.463   2.428
   94    HG3  ARG  13           1HG      ARG  13   5.111   1.857   3.348
   95    HD2  ARG  13           2HD      ARG  13   5.053  -0.990   4.348
   96    HD3  ARG  13           1HD      ARG  13   6.335   0.151   4.711
   97    HE   ARG  13           HE       ARG  13   4.030   1.409   5.463
   98   HH11  ARG  13          1HH1      ARG  13   5.564  -1.653   6.343
   99   HH12  ARG  13          2HH1      ARG  13   4.988  -1.632   7.942
  100   HH21  ARG  13          1HH2      ARG  13   3.275   1.445   7.611
  101   HH22  ARG  13          2HH2      ARG  13   3.635   0.180   8.702
  102    H    CYS  14           H        CYS  14   1.327  -2.369   3.126
  103    HA   CYS  14           HA       CYS  14  -0.164  -1.764   0.710
  104    HB2  CYS  14           2HB      CYS  14  -0.607  -3.962   2.696
  105    HB3  CYS  14           1HB      CYS  14  -1.472  -3.733   1.190
  106    H    VAL  15           H        VAL  15  -1.962  -0.862   0.714
  107    HA   VAL  15           HA       VAL  15  -3.153   0.060   3.238
  108    HB   VAL  15           HB       VAL  15  -3.003   1.571   0.606
  109   HG11  VAL  15          1HG1      VAL  15  -5.029   2.058   1.867
  110   HG12  VAL  15          2HG1      VAL  15  -3.939   3.445   1.828
  111   HG13  VAL  15          3HG1      VAL  15  -4.050   2.456   3.285
  112   HG21  VAL  15          3HG2      VAL  15  -1.508   3.139   1.774
  113   HG22  VAL  15          1HG2      VAL  15  -0.814   1.519   1.688
  114   HG23  VAL  15          2HG2      VAL  15  -1.528   2.093   3.194
  115    H    CYS  16           H        CYS  16  -5.087  -0.896   3.416
  116    HA   CYS  16           HA       CYS  16  -6.445  -1.607   0.972
  117    HB2  CYS  16           2HB      CYS  16  -6.980  -2.495   3.813
  118    HB3  CYS  16           1HB      CYS  16  -7.928  -2.974   2.406
  119    H    ARG  17           H        ARG  17  -8.243  -0.780   0.337
  120    HA   ARG  17           HA       ARG  17  -9.728   1.051   2.027
  121    HB2  ARG  17           2HB      ARG  17  -8.095   2.465   0.940
  122    HB3  ARG  17           1HB      ARG  17  -8.445   1.744  -0.618
  123    HG2  ARG  17           2HG      ARG  17  -9.423   3.937  -0.484
  124    HG3  ARG  17           1HG      ARG  17 -10.692   2.716  -0.544
  125    HD2  ARG  17           2HD      ARG  17 -10.973   2.919   1.894
  126    HD3  ARG  17           1HD      ARG  17  -9.710   4.154   1.928
  127    HE   ARG  17           HE       ARG  17 -11.741   4.755   0.065
  128   HH11  ARG  17          1HH1      ARG  17 -11.050   4.943   3.557
  129   HH12  ARG  17          2HH1      ARG  17 -12.093   6.250   3.816
  130   HH21  ARG  17          1HH2      ARG  17 -13.181   6.540   0.470
  131   HH22  ARG  17          2HH2      ARG  17 -13.352   7.172   2.033
  132    H    ARG  18           H        ARG  18 -11.633   0.117   1.951
  133    HA   ARG  18           HA       ARG  18 -13.614  -0.665   1.266
  134    HB2  ARG  18           2HB      ARG  18 -13.544   1.543   0.048
  135    HB3  ARG  18           1HB      ARG  18 -12.969   0.683  -1.368
  136    HG2  ARG  18           2HG      ARG  18 -15.053  -0.624  -1.395
  137    HG3  ARG  18           1HG      ARG  18 -15.621   0.300  -0.005
  138    HD2  ARG  18           2HD      ARG  18 -15.525   2.343  -1.310
  139    HD3  ARG  18           1HD      ARG  18 -14.902   1.444  -2.694
  140    HE   ARG  18           HE       ARG  18 -17.371   0.471  -1.630
  141   HH11  ARG  18          1HH1      ARG  18 -15.913   2.714  -3.931
  142   HH12  ARG  18          2HH1      ARG  18 -17.270   2.765  -4.969
  143   HH21  ARG  18          1HH2      ARG  18 -19.237   0.529  -3.043
  144   HH22  ARG  18          2HH2      ARG  18 -19.208   1.504  -4.437
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -11.263  -2.820   1.350
    2    HA2  GLY   1           2HA      GLY   1 -11.265  -5.024   0.560
    3    HA3  GLY   1           1HA      GLY   1 -12.602  -4.615  -0.501
    4    H    VAL   2           H        VAL   2 -10.905  -2.171  -1.362
    5    HA   VAL   2           HA       VAL   2  -9.487  -3.678  -3.416
    6    HB   VAL   2           HB       VAL   2  -9.975  -0.685  -3.274
    7   HG11  VAL   2          1HG1      VAL   2  -9.428  -0.717  -5.680
    8   HG12  VAL   2          2HG1      VAL   2  -9.069  -2.439  -5.562
    9   HG13  VAL   2          3HG1      VAL   2  -8.083  -1.273  -4.683
   10   HG21  VAL   2          3HG2      VAL   2 -11.752  -1.052  -4.935
   11   HG22  VAL   2          1HG2      VAL   2 -12.099  -1.874  -3.415
   12   HG23  VAL   2          2HG2      VAL   2 -11.508  -2.792  -4.804
   13    H    CYS   3           H        CYS   3  -7.479  -4.173  -2.946
   14    HA   CYS   3           HA       CYS   3  -5.970  -2.395  -1.208
   15    HB2  CYS   3           2HB      CYS   3  -5.554  -5.306  -1.864
   16    HB3  CYS   3           1HB      CYS   3  -4.480  -4.348  -0.846
   17    H    ARG   4           H        ARG   4  -4.100  -1.551  -1.750
   18    HA   ARG   4           HA       ARG   4  -2.880  -2.300  -4.301
   19    HB2  ARG   4           2HB      ARG   4  -2.235   0.107  -4.608
   20    HB3  ARG   4           1HB      ARG   4  -3.957  -0.198  -4.764
   21    HG2  ARG   4           2HG      ARG   4  -4.384   0.708  -2.598
   22    HG3  ARG   4           1HG      ARG   4  -2.658   0.804  -2.254
   23    HD2  ARG   4           2HD      ARG   4  -2.368   2.499  -3.923
   24    HD3  ARG   4           1HD      ARG   4  -4.049   2.323  -4.442
   25    HE   ARG   4           HE       ARG   4  -4.569   2.983  -2.072
   26   HH11  ARG   4          1HH1      ARG   4  -1.794   4.319  -3.851
   27   HH12  ARG   4          2HH1      ARG   4  -1.786   5.773  -2.992
   28   HH21  ARG   4          1HH2      ARG   4  -4.564   4.978  -0.917
   29   HH22  ARG   4          2HH2      ARG   4  -3.392   6.165  -1.265
   30    H    CYS   5           H        CYS   5  -0.792  -2.827  -4.055
   31    HA   CYS   5           HA       CYS   5   0.462  -2.080  -1.542
   32    HB2  CYS   5           2HB      CYS   5   1.259  -4.227  -3.500
   33    HB3  CYS   5           1HB      CYS   5   2.050  -3.892  -1.971
   34    H    VAL   6           H        VAL   6   2.356  -1.132  -1.392
   35    HA   VAL   6           HA       VAL   6   3.642  -0.164  -3.848
   36    HB   VAL   6           HB       VAL   6   3.230   1.451  -1.300
   37   HG11  VAL   6          1HG1      VAL   6   4.176   3.333  -2.560
   38   HG12  VAL   6          2HG1      VAL   6   4.462   2.262  -3.931
   39   HG13  VAL   6          3HG1      VAL   6   5.318   1.994  -2.413
   40   HG21  VAL   6          3HG2      VAL   6   1.920   1.824  -3.999
   41   HG22  VAL   6          1HG2      VAL   6   1.758   2.912  -2.622
   42   HG23  VAL   6          2HG2      VAL   6   1.123   1.268  -2.531
   43    H    CYS   7           H        CYS   7   5.765  -0.737  -3.828
   44    HA   CYS   7           HA       CYS   7   6.878  -1.511  -1.249
   45    HB2  CYS   7           2HB      CYS   7   7.654  -2.377  -4.027
   46    HB3  CYS   7           1HB      CYS   7   8.516  -2.822  -2.555
   47    H    ARG   8           H        ARG   8   8.633  -0.626  -0.464
   48    HA   ARG   8           HA       ARG   8  10.245   1.048  -2.187
   49    HB2  ARG   8           2HB      ARG   8   8.733   2.618  -1.148
   50    HB3  ARG   8           1HB      ARG   8   9.056   1.941   0.441
   51    HG2  ARG   8           2HG      ARG   8  11.314   2.760   0.392
   52    HG3  ARG   8           1HG      ARG   8  11.124   3.303  -1.273
   53    HD2  ARG   8           2HD      ARG   8  10.937   5.143   0.354
   54    HD3  ARG   8           1HD      ARG   8   9.480   4.924  -0.609
   55    HE   ARG   8           HE       ARG   8   9.453   3.555   1.908
   56   HH11  ARG   8          1HH1      ARG   8   8.860   6.635   0.335
   57   HH12  ARG   8          2HH1      ARG   8   7.592   7.103   1.375
   58   HH21  ARG   8          1HH2      ARG   8   7.767   4.186   3.380
   59   HH22  ARG   8          2HH2      ARG   8   6.960   5.666   3.168
   60    H    ARG   9           H        ARG   9  12.043   0.085  -2.148
   61    HA   ARG   9           HA       ARG   9  13.896  -1.014  -1.582
   62    HB2  ARG   9           2HB      ARG   9  14.321   1.326  -0.795
   63    HB3  ARG   9           1HB      ARG   9  13.896   0.808   0.832
   64    HG2  ARG   9           2HG      ARG   9  15.733  -0.787   0.815
   65    HG3  ARG   9           1HG      ARG   9  16.137  -0.313  -0.831
   66    HD2  ARG   9           2HD      ARG   9  16.570   1.984  -0.002
   67    HD3  ARG   9           1HD      ARG   9  16.278   1.411   1.638
   68    HE   ARG   9           HE       ARG   9  18.338   0.113   0.015
   69   HH11  ARG   9          1HH1      ARG   9  17.560   2.086   2.852
   70   HH12  ARG   9          2HH1      ARG   9  19.138   2.008   3.489
   71   HH21  ARG   9          1HH2      ARG   9  20.481   0.040   0.909
   72   HH22  ARG   9          2HH2      ARG   9  20.816   0.833   2.389
   73    H    GLY  10           H        GLY  10  12.047  -2.690  -1.083
   74    HA2  GLY  10           2HA      GLY  10  12.189  -4.834  -0.119
   75    HA3  GLY  10           1HA      GLY  10  13.146  -4.162   1.178
   76    H    VAL  11           H        VAL  11  10.966  -1.973   1.383
   77    HA   VAL  11           HA       VAL  11   9.276  -3.566   3.156
   78    HB   VAL  11           HB       VAL  11   9.641  -0.553   3.072
   79   HG11  VAL  11          1HG1      VAL  11   7.494  -1.240   4.027
   80   HG12  VAL  11          2HG1      VAL  11   8.549  -0.553   5.259
   81   HG13  VAL  11          3HG1      VAL  11   8.338  -2.301   5.157
   82   HG21  VAL  11          3HG2      VAL  11  11.718  -1.671   3.717
   83   HG22  VAL  11          1HG2      VAL  11  10.854  -2.573   4.962
   84   HG23  VAL  11          2HG2      VAL  11  11.010  -0.817   5.090
   85    H    CYS  12           H        CYS  12   7.363  -4.125   2.347
   86    HA   CYS  12           HA       CYS  12   6.158  -2.364   0.362
   87    HB2  CYS  12           2HB      CYS  12   5.678  -5.295   0.861
   88    HB3  CYS  12           1HB      CYS  12   4.846  -4.329  -0.353
   89    H    ARG  13           H        ARG  13   4.504  -1.280   0.876
   90    HA   ARG  13           HA       ARG  13   2.996  -1.977   3.300
   91    HB2  ARG  13           2HB      ARG  13   4.222   0.174   3.370
   92    HB3  ARG  13           1HB      ARG  13   3.380   0.686   1.919
   93    HG2  ARG  13           2HG      ARG  13   2.319   1.781   3.694
   94    HG3  ARG  13           1HG      ARG  13   1.236   0.474   3.241
   95    HD2  ARG  13           2HD      ARG  13   3.173   0.427   5.565
   96    HD3  ARG  13           1HD      ARG  13   1.457   0.769   5.696
   97    HE   ARG  13           HE       ARG  13   2.688  -1.831   5.078
   98   HH11  ARG  13          1HH1      ARG  13  -0.247   0.024   5.945
   99   HH12  ARG  13          2HH1      ARG  13  -1.084  -1.346   6.452
  100   HH21  ARG  13          1HH2      ARG  13   1.470  -3.689   5.739
  101   HH22  ARG  13          2HH2      ARG  13  -0.126  -3.490   6.321
  102    H    CYS  14           H        CYS  14   1.014  -2.761   2.831
  103    HA   CYS  14           HA       CYS  14  -0.155  -1.976   0.288
  104    HB2  CYS  14           2HB      CYS  14  -1.013  -4.202   2.085
  105    HB3  CYS  14           1HB      CYS  14  -1.634  -3.861   0.485
  106    H    VAL  15           H        VAL  15  -1.708  -0.823   0.140
  107    HA   VAL  15           HA       VAL  15  -3.023   0.229   2.544
  108    HB   VAL  15           HB       VAL  15  -2.907   1.421  -0.244
  109   HG11  VAL  15          1HG1      VAL  15  -4.831   2.171   0.999
  110   HG12  VAL  15          2HG1      VAL  15  -3.664   3.488   0.844
  111   HG13  VAL  15          3HG1      VAL  15  -3.808   2.615   2.368
  112   HG21  VAL  15          3HG2      VAL  15  -1.284   3.044   0.663
  113   HG22  VAL  15          1HG2      VAL  15  -0.662   1.392   0.689
  114   HG23  VAL  15          2HG2      VAL  15  -1.247   2.139   2.174
  115    H    CYS  16           H        CYS  16  -4.963  -0.642   2.817
  116    HA   CYS  16           HA       CYS  16  -6.430  -1.490   0.454
  117    HB2  CYS  16           2HB      CYS  16  -6.683  -2.444   3.306
  118    HB3  CYS  16           1HB      CYS  16  -7.728  -2.924   1.973
  119    H    ARG  17           H        ARG  17  -8.321  -0.689  -0.002
  120    HA   ARG  17           HA       ARG  17  -9.689   0.881   2.028
  121    HB2  ARG  17           2HB      ARG  17  -8.437   2.483   0.640
  122    HB3  ARG  17           1HB      ARG  17  -9.210   1.823  -0.792
  123    HG2  ARG  17           2HG      ARG  17 -11.387   2.536   0.046
  124    HG3  ARG  17           1HG      ARG  17 -10.606   3.222   1.469
  125    HD2  ARG  17           2HD      ARG  17 -11.052   4.945  -0.182
  126    HD3  ARG  17           1HD      ARG  17  -9.317   4.723   0.031
  127    HE   ARG  17           HE       ARG  17 -10.379   3.146  -2.084
  128   HH11  ARG  17          1HH1      ARG  17  -9.223   6.374  -1.281
  129   HH12  ARG  17          2HH1      ARG  17  -8.811   6.785  -2.876
  130   HH21  ARG  17          1HH2      ARG  17  -9.778   3.704  -4.296
  131   HH22  ARG  17          2HH2      ARG  17  -9.137   5.245  -4.627
  132    H    ARG  18           H        ARG  18 -11.372  -0.240   2.315
  133    HA   ARG  18           HA       ARG  18 -13.309  -1.306   2.096
  134    HB2  ARG  18           2HB      ARG  18 -13.835   0.973   1.129
  135    HB3  ARG  18           1HB      ARG  18 -13.626   0.274  -0.461
  136    HG2  ARG  18           2HG      ARG  18 -15.497  -1.213  -0.108
  137    HG3  ARG  18           1HG      ARG  18 -15.660  -0.657   1.558
  138    HD2  ARG  18           2HD      ARG  18 -16.027   1.027  -0.919
  139    HD3  ARG  18           1HD      ARG  18 -17.307   0.410   0.124
  140    HE   ARG  18           HE       ARG  18 -15.406   1.945   1.580
  141   HH11  ARG  18          1HH1      ARG  18 -18.229   2.294  -0.517
  142   HH12  ARG  18          2HH1      ARG  18 -18.625   3.851   0.053
  143   HH21  ARG  18          1HH2      ARG  18 -15.969   4.046   2.380
  144   HH22  ARG  18          2HH2      ARG  18 -17.323   4.860   1.757
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -12.251  -1.455   0.682
    2    HA2  GLY   1           2HA      GLY   1 -13.039  -3.495  -0.125
    3    HA3  GLY   1           1HA      GLY   1 -13.757  -2.657  -1.491
    4    H    VAL   2           H        VAL   2 -10.992  -1.259  -1.752
    5    HA   VAL   2           HA       VAL   2  -9.911  -3.403  -3.430
    6    HB   VAL   2           HB       VAL   2  -9.340  -0.423  -3.504
    7   HG11  VAL   2          1HG1      VAL   2  -7.451  -1.714  -4.332
    8   HG12  VAL   2          2HG1      VAL   2  -8.252  -0.882  -5.662
    9   HG13  VAL   2          3HG1      VAL   2  -8.514  -2.609  -5.417
   10   HG21  VAL   2          3HG2      VAL   2 -11.622  -0.913  -4.188
   11   HG22  VAL   2          1HG2      VAL   2 -11.038  -2.109  -5.341
   12   HG23  VAL   2          2HG2      VAL   2 -10.654  -0.408  -5.580
   13    H    CYS   3           H        CYS   3  -8.059  -4.355  -2.802
   14    HA   CYS   3           HA       CYS   3  -6.641  -3.054  -0.645
   15    HB2  CYS   3           2HB      CYS   3  -6.424  -5.892  -1.659
   16    HB3  CYS   3           1HB      CYS   3  -5.483  -5.223  -0.324
   17    H    ARG   4           H        ARG   4  -4.889  -2.020  -0.891
   18    HA   ARG   4           HA       ARG   4  -3.610  -2.200  -3.514
   19    HB2  ARG   4           2HB      ARG   4  -4.961  -0.170  -3.237
   20    HB3  ARG   4           1HB      ARG   4  -4.090   0.219  -1.771
   21    HG2  ARG   4           2HG      ARG   4  -3.363   1.587  -3.658
   22    HG3  ARG   4           1HG      ARG   4  -2.054   0.578  -3.046
   23    HD2  ARG   4           2HD      ARG   4  -2.298  -0.952  -4.859
   24    HD3  ARG   4           1HD      ARG   4  -3.767  -0.149  -5.415
   25    HE   ARG   4           HE       ARG   4  -2.292   1.831  -5.759
   26   HH11  ARG   4          1HH1      ARG   4  -0.985  -1.459  -6.044
   27   HH12  ARG   4          2HH1      ARG   4   0.178  -1.032  -7.209
   28   HH21  ARG   4          1HH2      ARG   4  -0.622   2.395  -7.338
   29   HH22  ARG   4          2HH2      ARG   4   0.385   1.176  -7.960
   30    H    CYS   5           H        CYS   5  -1.558  -2.736  -3.437
   31    HA   CYS   5           HA       CYS   5  -0.126  -2.505  -0.909
   32    HB2  CYS   5           2HB      CYS   5   0.649  -4.013  -3.390
   33    HB3  CYS   5           1HB      CYS   5   1.402  -4.114  -1.811
   34    H    VAL   6           H        VAL   6   1.583  -1.347  -0.702
   35    HA   VAL   6           HA       VAL   6   2.566   0.089  -3.032
   36    HB   VAL   6           HB       VAL   6   1.135   1.645  -1.769
   37   HG11  VAL   6          1HG1      VAL   6   2.900   1.087   0.604
   38   HG12  VAL   6          2HG1      VAL   6   1.204   0.637   0.425
   39   HG13  VAL   6          3HG1      VAL   6   1.660   2.337   0.526
   40   HG21  VAL   6          3HG2      VAL   6   2.773   3.451  -1.324
   41   HG22  VAL   6          1HG2      VAL   6   3.081   2.613  -2.851
   42   HG23  VAL   6          2HG2      VAL   6   4.072   2.264  -1.437
   43    H    CYS   7           H        CYS   7   4.727   0.118  -3.181
   44    HA   CYS   7           HA       CYS   7   6.128  -1.095  -0.964
   45    HB2  CYS   7           2HB      CYS   7   7.011  -0.877  -3.854
   46    HB3  CYS   7           1HB      CYS   7   7.913  -1.608  -2.522
   47    H    ARG   8           H        ARG   8   7.517  -0.032   0.084
   48    HA   ARG   8           HA       ARG   8   8.422   2.572  -0.904
   49    HB2  ARG   8           2HB      ARG   8   6.451   2.902   0.578
   50    HB3  ARG   8           1HB      ARG   8   7.300   2.062   1.862
   51    HG2  ARG   8           2HG      ARG   8   7.379   4.461   2.204
   52    HG3  ARG   8           1HG      ARG   8   8.996   3.832   1.887
   53    HD2  ARG   8           2HD      ARG   8   8.573   5.926   0.683
   54    HD3  ARG   8           1HD      ARG   8   8.875   4.585  -0.418
   55    HE   ARG   8           HE       ARG   8   6.114   5.211   0.198
   56   HH11  ARG   8          1HH1      ARG   8   8.752   5.498  -2.158
   57   HH12  ARG   8          2HH1      ARG   8   7.760   6.006  -3.439
   58   HH21  ARG   8          1HH2      ARG   8   4.738   5.931  -1.626
   59   HH22  ARG   8          2HH2      ARG   8   5.486   6.266  -3.126
   60    H    ARG   9           H        ARG   9  10.570   2.613  -0.811
   61    HA   ARG   9           HA       ARG   9  12.708   2.210  -0.265
   62    HB2  ARG   9           2HB      ARG   9  12.076   3.381   1.797
   63    HB3  ARG   9           1HB      ARG   9  11.500   1.891   2.498
   64    HG2  ARG   9           2HG      ARG   9  13.644   2.662   3.474
   65    HG3  ARG   9           1HG      ARG   9  13.786   1.081   2.725
   66    HD2  ARG   9           2HD      ARG   9  14.540   3.609   1.273
   67    HD3  ARG   9           1HD      ARG   9  15.675   2.761   2.320
   68    HE   ARG   9           HE       ARG   9  14.912   0.786   0.762
   69   HH11  ARG   9          1HH1      ARG   9  15.719   4.101  -0.223
   70   HH12  ARG   9          2HH1      ARG   9  16.459   3.659  -1.674
   71   HH21  ARG   9          1HH2      ARG   9  15.886   0.168  -1.276
   72   HH22  ARG   9          2HH2      ARG   9  16.516   1.345  -2.325
   73    H    GLY  10           H        GLY  10  11.084   0.076  -1.208
   74    HA2  GLY  10           2HA      GLY  10  11.811  -2.056  -1.891
   75    HA3  GLY  10           1HA      GLY  10  12.894  -2.092  -0.512
   76    H    VAL  11           H        VAL  11  10.402  -1.199   1.135
   77    HA   VAL  11           HA       VAL  11   9.595  -3.942   1.719
   78    HB   VAL  11           HB       VAL  11   9.065  -1.367   3.245
   79   HG11  VAL  11          1HG1      VAL  11   8.429  -2.807   5.116
   80   HG12  VAL  11          2HG1      VAL  11   8.661  -4.230   4.099
   81   HG13  VAL  11          3HG1      VAL  11   7.386  -3.075   3.717
   82   HG21  VAL  11          3HG2      VAL  11  11.437  -1.890   3.203
   83   HG22  VAL  11          1HG2      VAL  11  11.099  -3.534   3.750
   84   HG23  VAL  11          2HG2      VAL  11  10.776  -2.168   4.818
   85    H    CYS  12           H        CYS  12   7.471  -4.639   1.445
   86    HA   CYS  12           HA       CYS  12   5.754  -2.661   0.153
   87    HB2  CYS  12           2HB      CYS  12   5.820  -5.641  -0.348
   88    HB3  CYS  12           1HB      CYS  12   4.758  -4.475  -1.147
   89    H    ARG  13           H        ARG  13   3.833  -2.285   0.934
   90    HA   ARG  13           HA       ARG  13   2.782  -4.031   3.070
   91    HB2  ARG  13           2HB      ARG  13   2.963  -1.014   3.064
   92    HB3  ARG  13           1HB      ARG  13   2.082  -1.952   4.262
   93    HG2  ARG  13           2HG      ARG  13   4.082  -2.958   5.064
   94    HG3  ARG  13           1HG      ARG  13   5.017  -2.304   3.723
   95    HD2  ARG  13           2HD      ARG  13   4.629  -0.051   4.573
   96    HD3  ARG  13           1HD      ARG  13   3.695  -0.706   5.920
   97    HE   ARG  13           HE       ARG  13   5.842  -1.988   6.388
   98   HH11  ARG  13          1HH1      ARG  13   5.812   1.323   5.098
   99   HH12  ARG  13          2HH1      ARG  13   7.302   1.770   5.763
  100   HH21  ARG  13          1HH2      ARG  13   7.886  -1.412   7.316
  101   HH22  ARG  13          2HH2      ARG  13   8.562   0.124   7.079
  102    H    CYS  14           H        CYS  14   0.555  -4.346   3.022
  103    HA   CYS  14           HA       CYS  14  -0.818  -2.967   0.834
  104    HB2  CYS  14           2HB      CYS  14  -1.540  -5.639   1.977
  105    HB3  CYS  14           1HB      CYS  14  -2.240  -4.873   0.566
  106    H    VAL  15           H        VAL  15  -2.485  -1.914   1.138
  107    HA   VAL  15           HA       VAL  15  -3.752  -1.846   3.793
  108    HB   VAL  15           HB       VAL  15  -3.203   0.501   1.927
  109   HG11  VAL  15          1HG1      VAL  15  -4.489   0.501   4.657
  110   HG12  VAL  15          2HG1      VAL  15  -5.305   0.787   3.121
  111   HG13  VAL  15          3HG1      VAL  15  -4.095   1.929   3.701
  112   HG21  VAL  15          3HG2      VAL  15  -1.174  -0.219   3.071
  113   HG22  VAL  15          1HG2      VAL  15  -2.004  -0.125   4.624
  114   HG23  VAL  15          2HG2      VAL  15  -1.716   1.341   3.692
  115    H    CYS  16           H        CYS  16  -5.918  -2.214   3.641
  116    HA   CYS  16           HA       CYS  16  -7.036  -2.145   0.979
  117    HB2  CYS  16           2HB      CYS  16  -8.285  -3.300   3.483
  118    HB3  CYS  16           1HB      CYS  16  -8.926  -3.380   1.836
  119    H    ARG  17           H        ARG  17  -8.376  -0.827   0.242
  120    HA   ARG  17           HA       ARG  17  -9.410   1.283   1.995
  121    HB2  ARG  17           2HB      ARG  17  -7.249   1.912   0.897
  122    HB3  ARG  17           1HB      ARG  17  -8.006   1.650  -0.657
  123    HG2  ARG  17           2HG      ARG  17  -7.986   3.992  -0.306
  124    HG3  ARG  17           1HG      ARG  17  -9.650   3.470  -0.036
  125    HD2  ARG  17           2HD      ARG  17  -7.652   3.861   2.185
  126    HD3  ARG  17           1HD      ARG  17  -8.721   5.141   1.625
  127    HE   ARG  17           HE       ARG  17 -10.511   3.356   2.189
  128   HH11  ARG  17          1HH1      ARG  17  -7.567   3.956   4.115
  129   HH12  ARG  17          2HH1      ARG  17  -8.355   3.614   5.590
  130   HH21  ARG  17          1HH2      ARG  17 -11.501   2.889   4.204
  131   HH22  ARG  17          2HH2      ARG  17 -10.625   2.994   5.654
  132    H    ARG  18           H        ARG  18 -11.542   0.890   1.772
  133    HA   ARG  18           HA       ARG  18 -13.617   0.929   0.892
  134    HB2  ARG  18           2HB      ARG  18 -12.710   3.045  -0.057
  135    HB3  ARG  18           1HB      ARG  18 -12.215   2.169  -1.479
  136    HG2  ARG  18           2HG      ARG  18 -14.555   1.720  -2.016
  137    HG3  ARG  18           1HG      ARG  18 -15.043   2.608  -0.566
  138    HD2  ARG  18           2HD      ARG  18 -15.126   3.993  -2.633
  139    HD3  ARG  18           1HD      ARG  18 -14.052   4.633  -1.392
  140    HE   ARG  18           HE       ARG  18 -12.727   2.930  -3.272
  141   HH11  ARG  18          1HH1      ARG  18 -13.783   6.269  -2.719
  142   HH12  ARG  18          2HH1      ARG  18 -12.568   6.952  -3.684
  143   HH21  ARG  18          1HH2      ARG  18 -11.081   3.844  -4.537
  144   HH22  ARG  18          2HH2      ARG  18 -10.975   5.536  -4.777
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -11.828  -1.235   1.108
    2    HA2  GLY   1           2HA      GLY   1 -12.296  -3.535   0.844
    3    HA3  GLY   1           1HA      GLY   1 -13.260  -3.143  -0.573
    4    H    VAL   2           H        VAL   2 -10.919  -1.312  -1.356
    5    HA   VAL   2           HA       VAL   2  -9.614  -3.349  -2.958
    6    HB   VAL   2           HB       VAL   2  -9.466  -0.320  -3.080
    7   HG11  VAL   2          1HG1      VAL   2  -8.428  -2.363  -5.053
    8   HG12  VAL   2          2HG1      VAL   2  -7.444  -1.352  -3.997
    9   HG13  VAL   2          3HG1      VAL   2  -8.411  -0.613  -5.274
   10   HG21  VAL   2          3HG2      VAL   2 -11.676  -1.148  -3.640
   11   HG22  VAL   2          1HG2      VAL   2 -10.985  -2.272  -4.811
   12   HG23  VAL   2          2HG2      VAL   2 -10.873  -0.529  -5.078
   13    H    CYS   3           H        CYS   3  -7.619  -4.058  -2.492
   14    HA   CYS   3           HA       CYS   3  -6.109  -2.471  -0.599
   15    HB2  CYS   3           2HB      CYS   3  -5.970  -5.433  -1.157
   16    HB3  CYS   3           1HB      CYS   3  -4.820  -4.589  -0.128
   17    H    ARG   4           H        ARG   4  -4.211  -1.646  -1.228
   18    HA   ARG   4           HA       ARG   4  -2.982  -2.669  -3.660
   19    HB2  ARG   4           2HB      ARG   4  -2.467  -0.270  -4.280
   20    HB3  ARG   4           1HB      ARG   4  -4.155  -0.733  -4.404
   21    HG2  ARG   4           2HG      ARG   4  -4.555   0.364  -2.210
   22    HG3  ARG   4           1HG      ARG   4  -2.880   0.915  -2.228
   23    HD2  ARG   4           2HD      ARG   4  -4.957   1.555  -4.329
   24    HD3  ARG   4           1HD      ARG   4  -4.445   2.641  -3.037
   25    HE   ARG   4           HE       ARG   4  -2.130   2.116  -4.191
   26   HH11  ARG   4          1HH1      ARG   4  -5.195   2.980  -5.715
   27   HH12  ARG   4          2HH1      ARG   4  -4.481   3.790  -7.031
   28   HH21  ARG   4          1HH2      ARG   4  -1.163   3.216  -5.947
   29   HH22  ARG   4          2HH2      ARG   4  -2.103   3.948  -7.162
   30    H    CYS   5           H        CYS   5  -0.741  -2.714  -3.626
   31    HA   CYS   5           HA       CYS   5   0.362  -2.069  -0.994
   32    HB2  CYS   5           2HB      CYS   5   1.350  -4.199  -2.880
   33    HB3  CYS   5           1HB      CYS   5   1.911  -3.908  -1.243
   34    H    VAL   6           H        VAL   6   2.200  -1.056  -0.762
   35    HA   VAL   6           HA       VAL   6   3.421   0.151  -3.161
   36    HB   VAL   6           HB       VAL   6   3.366   1.290  -0.352
   37   HG11  VAL   6          1HG1      VAL   6   4.178   2.541  -2.970
   38   HG12  VAL   6          2HG1      VAL   6   5.251   2.069  -1.652
   39   HG13  VAL   6          3HG1      VAL   6   4.092   3.381  -1.423
   40   HG21  VAL   6          3HG2      VAL   6   1.669   2.077  -2.700
   41   HG22  VAL   6          1HG2      VAL   6   1.715   2.925  -1.155
   42   HG23  VAL   6          2HG2      VAL   6   1.092   1.269  -1.240
   43    H    CYS   7           H        CYS   7   5.537  -0.427  -3.398
   44    HA   CYS   7           HA       CYS   7   6.813  -1.566  -1.056
   45    HB2  CYS   7           2HB      CYS   7   7.687  -1.778  -3.941
   46    HB3  CYS   7           1HB      CYS   7   8.458  -2.516  -2.532
   47    H    ARG   8           H        ARG   8   8.348  -0.716  -0.057
   48    HA   ARG   8           HA       ARG   8   9.574   1.684  -1.154
   49    HB2  ARG   8           2HB      ARG   8   7.722   2.391   0.253
   50    HB3  ARG   8           1HB      ARG   8   8.311   1.382   1.564
   51    HG2  ARG   8           2HG      ARG   8  10.234   2.760   1.860
   52    HG3  ARG   8           1HG      ARG   8   9.856   3.690   0.411
   53    HD2  ARG   8           2HD      ARG   8   8.131   3.532   2.877
   54    HD3  ARG   8           1HD      ARG   8   9.208   4.873   2.476
   55    HE   ARG   8           HE       ARG   8   7.654   4.624   0.285
   56   HH11  ARG   8          1HH1      ARG   8   6.903   5.075   3.711
   57   HH12  ARG   8          2HH1      ARG   8   5.461   5.935   3.428
   58   HH21  ARG   8          1HH2      ARG   8   5.669   5.807  -0.101
   59   HH22  ARG   8          2HH2      ARG   8   4.727   6.344   1.198
   60    H    ARG   9           H        ARG   9  11.554   1.032  -1.364
   61    HA   ARG   9           HA       ARG   9  13.673   0.489  -0.892
   62    HB2  ARG   9           2HB      ARG   9  13.151   2.282   0.838
   63    HB3  ARG   9           1HB      ARG   9  12.951   0.984   1.995
   64    HG2  ARG   9           2HG      ARG   9  15.139   2.033   2.179
   65    HG3  ARG   9           1HG      ARG   9  15.275   0.339   1.701
   66    HD2  ARG   9           2HD      ARG   9  16.793   1.853   0.444
   67    HD3  ARG   9           1HD      ARG   9  15.677   0.958  -0.581
   68    HE   ARG   9           HE       ARG   9  14.697   3.547   0.159
   69   HH11  ARG   9          1HH1      ARG   9  16.729   1.840  -2.150
   70   HH12  ARG   9          2HH1      ARG   9  16.605   3.023  -3.362
   71   HH21  ARG   9          1HH2      ARG   9  14.488   5.155  -1.506
   72   HH22  ARG   9          2HH2      ARG   9  15.277   4.953  -3.002
   73    H    GLY  10           H        GLY  10  11.959  -1.642  -1.162
   74    HA2  GLY  10           2HA      GLY  10  12.469  -3.940  -1.106
   75    HA3  GLY  10           1HA      GLY  10  13.427  -3.661   0.338
   76    H    VAL  11           H        VAL  11  10.906  -2.063   1.313
   77    HA   VAL  11           HA       VAL  11   9.617  -4.478   2.379
   78    HB   VAL  11           HB       VAL  11   9.506  -1.647   3.462
   79   HG11  VAL  11          1HG1      VAL  11   7.541  -2.946   4.074
   80   HG12  VAL  11          2HG1      VAL  11   8.562  -2.694   5.492
   81   HG13  VAL  11          3HG1      VAL  11   8.562  -4.250   4.672
   82   HG21  VAL  11          3HG2      VAL  11  10.997  -2.444   5.255
   83   HG22  VAL  11          1HG2      VAL  11  11.761  -2.548   3.668
   84   HG23  VAL  11          2HG2      VAL  11  11.127  -4.002   4.440
   85    H    CYS  12           H        CYS  12   7.667  -4.966   1.594
   86    HA   CYS  12           HA       CYS  12   6.191  -2.856   0.228
   87    HB2  CYS  12           2HB      CYS  12   5.814  -5.855   0.122
   88    HB3  CYS  12           1HB      CYS  12   4.904  -4.669  -0.810
   89    H    ARG  13           H        ARG  13   4.559  -1.927   1.069
   90    HA   ARG  13           HA       ARG  13   3.317  -3.149   3.439
   91    HB2  ARG  13           2HB      ARG  13   4.617  -1.011   3.775
   92    HB3  ARG  13           1HB      ARG  13   3.490  -0.219   2.689
   93    HG2  ARG  13           2HG      ARG  13   2.915   0.277   4.981
   94    HG3  ARG  13           1HG      ARG  13   1.656  -0.734   4.264
   95    HD2  ARG  13           2HD      ARG  13   2.223  -1.466   6.534
   96    HD3  ARG  13           1HD      ARG  13   2.617  -2.706   5.341
   97    HE   ARG  13           HE       ARG  13   4.757  -0.902   6.094
   98   HH11  ARG  13          1HH1      ARG  13   3.337  -4.125   6.493
   99   HH12  ARG  13          2HH1      ARG  13   4.694  -4.738   7.332
  100   HH21  ARG  13          1HH2      ARG  13   6.585  -1.776   7.209
  101   HH22  ARG  13          2HH2      ARG  13   6.573  -3.407   7.734
  102    H    CYS  14           H        CYS  14   1.076  -3.362   3.359
  103    HA   CYS  14           HA       CYS  14  -0.119  -2.438   0.865
  104    HB2  CYS  14           2HB      CYS  14  -1.033  -4.697   2.595
  105    HB3  CYS  14           1HB      CYS  14  -1.753  -4.214   1.071
  106    H    VAL  15           H        VAL  15  -1.817  -1.289   0.791
  107    HA   VAL  15           HA       VAL  15  -3.007  -0.345   3.310
  108    HB   VAL  15           HB       VAL  15  -2.501   1.256   0.775
  109   HG11  VAL  15          1HG1      VAL  15  -3.258   3.204   2.083
  110   HG12  VAL  15          2HG1      VAL  15  -3.690   2.114   3.405
  111   HG13  VAL  15          3HG1      VAL  15  -4.521   1.994   1.860
  112   HG21  VAL  15          3HG2      VAL  15  -0.908   2.569   2.122
  113   HG22  VAL  15          1HG2      VAL  15  -0.423   0.878   1.987
  114   HG23  VAL  15          2HG2      VAL  15  -1.164   1.463   3.475
  115    H    CYS  16           H        CYS  16  -5.190  -0.521   3.362
  116    HA   CYS  16           HA       CYS  16  -6.510  -1.201   0.837
  117    HB2  CYS  16           2HB      CYS  16  -7.282  -2.093   3.617
  118    HB3  CYS  16           1HB      CYS  16  -8.098  -2.514   2.115
  119    H    ARG  17           H        ARG  17  -8.205  -0.149   0.230
  120    HA   ARG  17           HA       ARG  17  -9.641   1.578   2.111
  121    HB2  ARG  17           2HB      ARG  17  -9.656   3.501   0.590
  122    HB3  ARG  17           1HB      ARG  17  -8.013   3.116   1.074
  123    HG2  ARG  17           2HG      ARG  17  -7.526   2.186  -1.078
  124    HG3  ARG  17           1HG      ARG  17  -9.242   2.201  -1.507
  125    HD2  ARG  17           2HD      ARG  17  -8.028   4.012  -2.627
  126    HD3  ARG  17           1HD      ARG  17  -9.250   4.621  -1.524
  127    HE   ARG  17           HE       ARG  17  -6.844   4.554  -0.132
  128   HH11  ARG  17          1HH1      ARG  17  -8.186   6.223  -2.959
  129   HH12  ARG  17          2HH1      ARG  17  -7.278   7.645  -2.713
  130   HH21  ARG  17          1HH2      ARG  17  -5.593   6.534   0.165
  131   HH22  ARG  17          2HH2      ARG  17  -5.804   7.841  -0.914
  132    H    ARG  18           H        ARG  18 -11.780   1.349   1.861
  133    HA   ARG  18           HA       ARG  18 -13.826   0.891   1.006
  134    HB2  ARG  18           2HB      ARG  18 -13.297   2.840  -0.376
  135    HB3  ARG  18           1HB      ARG  18 -12.478   1.830  -1.542
  136    HG2  ARG  18           2HG      ARG  18 -14.652   2.558  -2.386
  137    HG3  ARG  18           1HG      ARG  18 -14.647   0.816  -2.152
  138    HD2  ARG  18           2HD      ARG  18 -15.850   1.120  -0.022
  139    HD3  ARG  18           1HD      ARG  18 -15.878   2.866  -0.302
  140    HE   ARG  18           HE       ARG  18 -16.933   1.719  -2.558
  141   HH11  ARG  18          1HH1      ARG  18 -17.872   1.890   0.847
  142   HH12  ARG  18          2HH1      ARG  18 -19.517   1.609   0.570
  143   HH21  ARG  18          1HH2      ARG  18 -19.192   1.392  -2.973
  144   HH22  ARG  18          2HH2      ARG  18 -20.302   1.309  -1.686
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -12.350  -2.282  -0.120
    2    HA2  GLY   1           2HA      GLY   1 -12.699  -4.288  -1.279
    3    HA3  GLY   1           1HA      GLY   1 -13.584  -3.403  -2.509
    4    H    VAL   2           H        VAL   2 -10.782  -1.761  -1.870
    5    HA   VAL   2           HA       VAL   2  -9.375  -3.054  -4.105
    6    HB   VAL   2           HB       VAL   2  -9.241  -0.148  -3.259
    7   HG11  VAL   2          1HG1      VAL   2  -8.088  -1.534  -5.661
    8   HG12  VAL   2          2HG1      VAL   2  -7.192  -0.905  -4.281
    9   HG13  VAL   2          3HG1      VAL   2  -8.026   0.204  -5.371
   10   HG21  VAL   2          3HG2      VAL   2 -11.428  -0.595  -4.219
   11   HG22  VAL   2          1HG2      VAL   2 -10.675  -1.352  -5.624
   12   HG23  VAL   2          2HG2      VAL   2 -10.463   0.372  -5.333
   13    H    CYS   3           H        CYS   3  -7.434  -3.887  -3.512
   14    HA   CYS   3           HA       CYS   3  -6.261  -2.815  -1.079
   15    HB2  CYS   3           2HB      CYS   3  -5.744  -5.484  -2.412
   16    HB3  CYS   3           1HB      CYS   3  -4.947  -4.887  -0.962
   17    H    ARG   4           H        ARG   4  -4.544  -1.650  -1.181
   18    HA   ARG   4           HA       ARG   4  -2.991  -1.718  -3.676
   19    HB2  ARG   4           2HB      ARG   4  -4.246   0.324  -3.686
   20    HB3  ARG   4           1HB      ARG   4  -3.792   0.683  -2.027
   21    HG2  ARG   4           2HG      ARG   4  -2.557   2.093  -3.583
   22    HG3  ARG   4           1HG      ARG   4  -1.463   1.004  -2.737
   23    HD2  ARG   4           2HD      ARG   4  -0.843   1.107  -5.065
   24    HD3  ARG   4           1HD      ARG   4  -1.485  -0.490  -4.700
   25    HE   ARG   4           HE       ARG   4  -3.378   1.420  -5.715
   26   HH11  ARG   4          1HH1      ARG   4  -1.221  -1.277  -6.496
   27   HH12  ARG   4          2HH1      ARG   4  -1.878  -1.525  -8.041
   28   HH21  ARG   4          1HH2      ARG   4  -4.285   1.070  -7.823
   29   HH22  ARG   4          2HH2      ARG   4  -3.666  -0.168  -8.812
   30    H    CYS   5           H        CYS   5  -0.977  -2.291  -3.410
   31    HA   CYS   5           HA       CYS   5   0.317  -1.780  -0.844
   32    HB2  CYS   5           2HB      CYS   5   1.229  -3.511  -3.122
   33    HB3  CYS   5           1HB      CYS   5   2.045  -3.319  -1.598
   34    H    VAL   6           H        VAL   6   1.846  -0.446  -0.726
   35    HA   VAL   6           HA       VAL   6   2.954   0.817  -3.148
   36    HB   VAL   6           HB       VAL   6   2.630   2.053  -0.379
   37   HG11  VAL   6          1HG1      VAL   6   3.609   3.284  -2.951
   38   HG12  VAL   6          2HG1      VAL   6   4.588   2.915  -1.532
   39   HG13  VAL   6          3HG1      VAL   6   3.332   4.155  -1.444
   40   HG21  VAL   6          3HG2      VAL   6   0.973   3.554  -1.421
   41   HG22  VAL   6          1HG2      VAL   6   0.466   1.864  -1.473
   42   HG23  VAL   6          2HG2      VAL   6   1.109   2.630  -2.920
   43    H    CYS   7           H        CYS   7   5.054   0.292  -3.381
   44    HA   CYS   7           HA       CYS   7   6.401  -0.696  -0.994
   45    HB2  CYS   7           2HB      CYS   7   7.078  -1.252  -3.875
   46    HB3  CYS   7           1HB      CYS   7   7.911  -1.879  -2.445
   47    H    ARG   8           H        ARG   8   8.014   0.184  -0.182
   48    HA   ARG   8           HA       ARG   8   9.574   2.105  -1.741
   49    HB2  ARG   8           2HB      ARG   8   7.968   3.415  -0.390
   50    HB3  ARG   8           1HB      ARG   8   8.556   2.612   1.059
   51    HG2  ARG   8           2HG      ARG   8  10.791   3.569   0.672
   52    HG3  ARG   8           1HG      ARG   8  10.156   4.418  -0.738
   53    HD2  ARG   8           2HD      ARG   8   9.194   4.765   2.094
   54    HD3  ARG   8           1HD      ARG   8  10.286   5.852   1.242
   55    HE   ARG   8           HE       ARG   8   8.004   5.624  -0.319
   56   HH11  ARG   8          1HH1      ARG   8   8.766   6.752   2.950
   57   HH12  ARG   8          2HH1      ARG   8   7.625   8.000   2.949
   58   HH21  ARG   8          1HH2      ARG   8   6.403   7.273  -0.320
   59   HH22  ARG   8          2HH2      ARG   8   6.198   8.296   1.020
   60    H    ARG   9           H        ARG   9  11.470   1.201  -1.807
   61    HA   ARG   9           HA       ARG   9  13.456   0.325  -1.267
   62    HB2  ARG   9           2HB      ARG   9  13.545   2.326   0.203
   63    HB3  ARG   9           1HB      ARG   9  12.807   1.399   1.490
   64    HG2  ARG   9           2HG      ARG   9  15.200   1.723   1.860
   65    HG3  ARG   9           1HG      ARG   9  14.800   0.021   1.684
   66    HD2  ARG   9           2HD      ARG   9  15.914   1.721  -0.557
   67    HD3  ARG   9           1HD      ARG   9  16.915   0.753   0.523
   68    HE   ARG   9           HE       ARG   9  15.349  -0.144  -1.707
   69   HH11  ARG   9          1HH1      ARG   9  16.678  -1.205   1.413
   70   HH12  ARG   9          2HH1      ARG   9  16.852  -2.827   0.906
   71   HH21  ARG   9          1HH2      ARG   9  15.579  -2.410  -2.316
   72   HH22  ARG   9          2HH2      ARG   9  16.235  -3.510  -1.197
   73    H    GLY  10           H        GLY  10  11.347  -1.384  -1.348
   74    HA2  GLY  10           2HA      GLY  10  11.256  -3.693  -1.143
   75    HA3  GLY  10           1HA      GLY  10  12.475  -3.598   0.121
   76    H    VAL  11           H        VAL  11  10.408  -1.356   1.119
   77    HA   VAL  11           HA       VAL  11   8.967  -3.263   2.781
   78    HB   VAL  11           HB       VAL  11   9.190  -0.252   3.070
   79   HG11  VAL  11          1HG1      VAL  11   8.365  -0.637   5.356
   80   HG12  VAL  11          2HG1      VAL  11   8.202  -2.353   4.996
   81   HG13  VAL  11          3HG1      VAL  11   7.209  -1.178   4.138
   82   HG21  VAL  11          3HG2      VAL  11  11.374  -1.320   3.331
   83   HG22  VAL  11          1HG2      VAL  11  10.700  -2.409   4.544
   84   HG23  VAL  11          2HG2      VAL  11  10.795  -0.671   4.864
   85    H    CYS  12           H        CYS  12   7.034  -3.790   2.057
   86    HA   CYS  12           HA       CYS  12   5.664  -1.855   0.395
   87    HB2  CYS  12           2HB      CYS  12   5.258  -4.836   0.634
   88    HB3  CYS  12           1HB      CYS  12   4.318  -3.771  -0.404
   89    H    ARG  13           H        ARG  13   4.067  -0.811   1.158
   90    HA   ARG  13           HA       ARG  13   2.724  -1.668   3.616
   91    HB2  ARG  13           2HB      ARG  13   2.647   0.952   2.090
   92    HB3  ARG  13           1HB      ARG  13   1.811   0.646   3.606
   93    HG2  ARG  13           2HG      ARG  13   4.803   0.658   3.206
   94    HG3  ARG  13           1HG      ARG  13   3.849   1.943   3.953
   95    HD2  ARG  13           2HD      ARG  13   3.124   0.391   5.683
   96    HD3  ARG  13           1HD      ARG  13   4.078  -0.893   4.943
   97    HE   ARG  13           HE       ARG  13   5.593   1.438   5.651
   98   HH11  ARG  13          1HH1      ARG  13   4.356  -1.687   6.769
   99   HH12  ARG  13          2HH1      ARG  13   5.465  -1.776   8.064
  100   HH21  ARG  13          1HH2      ARG  13   7.118   1.232   7.397
  101   HH22  ARG  13          2HH2      ARG  13   7.072  -0.118   8.417
  102    H    CYS  14           H        CYS  14   0.838  -2.739   3.345
  103    HA   CYS  14           HA       CYS  14  -0.625  -2.202   0.856
  104    HB2  CYS  14           2HB      CYS  14  -0.703  -4.722   2.458
  105    HB3  CYS  14           1HB      CYS  14  -1.507  -4.402   0.940
  106    H    VAL  15           H        VAL  15  -2.483  -1.498   0.995
  107    HA   VAL  15           HA       VAL  15  -3.925  -1.530   3.561
  108    HB   VAL  15           HB       VAL  15  -3.750   0.829   1.649
  109   HG11  VAL  15          1HG1      VAL  15  -5.189   0.571   4.284
  110   HG12  VAL  15          2HG1      VAL  15  -5.936   0.681   2.692
  111   HG13  VAL  15          3HG1      VAL  15  -5.042   2.051   3.340
  112   HG21  VAL  15          3HG2      VAL  15  -2.593   2.000   3.467
  113   HG22  VAL  15          1HG2      VAL  15  -1.694   0.576   2.941
  114   HG23  VAL  15          2HG2      VAL  15  -2.629   0.533   4.441
  115    H    CYS  16           H        CYS  16  -5.826  -2.504   3.298
  116    HA   CYS  16           HA       CYS  16  -7.039  -2.450   0.665
  117    HB2  CYS  16           2HB      CYS  16  -7.758  -4.096   3.101
  118    HB3  CYS  16           1HB      CYS  16  -8.620  -4.088   1.560
  119    H    ARG  17           H        ARG  17  -8.706  -1.320   0.229
  120    HA   ARG  17           HA       ARG  17 -10.438  -0.299   2.290
  121    HB2  ARG  17           2HB      ARG  17 -10.149   2.051   1.674
  122    HB3  ARG  17           1HB      ARG  17  -8.668   1.353   2.316
  123    HG2  ARG  17           2HG      ARG  17  -7.757   1.146   0.070
  124    HG3  ARG  17           1HG      ARG  17  -9.283   1.761  -0.588
  125    HD2  ARG  17           2HD      ARG  17  -7.500   3.469  -0.479
  126    HD3  ARG  17           1HD      ARG  17  -8.946   3.871   0.451
  127    HE   ARG  17           HE       ARG  17  -7.598   2.938   2.397
  128   HH11  ARG  17          1HH1      ARG  17  -6.172   4.694  -0.300
  129   HH12  ARG  17          2HH1      ARG  17  -4.923   5.417   0.609
  130   HH21  ARG  17          1HH2      ARG  17  -5.892   3.967   3.696
  131   HH22  ARG  17          2HH2      ARG  17  -4.766   4.989   2.940
  132    H    ARG  18           H        ARG  18 -12.416  -0.178   1.531
  133    HA   ARG  18           HA       ARG  18 -14.218   0.016   0.189
  134    HB2  ARG  18           2HB      ARG  18 -12.989   2.157  -0.294
  135    HB3  ARG  18           1HB      ARG  18 -12.340   1.424  -1.739
  136    HG2  ARG  18           2HG      ARG  18 -14.246   2.858  -2.271
  137    HG3  ARG  18           1HG      ARG  18 -14.674   1.170  -2.580
  138    HD2  ARG  18           2HD      ARG  18 -15.861   1.019  -0.513
  139    HD3  ARG  18           1HD      ARG  18 -15.278   2.606  -0.012
  140    HE   ARG  18           HE       ARG  18 -16.763   2.694  -2.424
  141   HH11  ARG  18          1HH1      ARG  18 -17.082   2.451   1.072
  142   HH12  ARG  18          2HH1      ARG  18 -18.582   3.246   1.140
  143   HH21  ARG  18          1HH2      ARG  18 -18.831   3.803  -2.340
  144   HH22  ARG  18          2HH2      ARG  18 -19.567   4.076  -0.820
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -11.728  -2.773   0.707
    2    HA2  GLY   1           2HA      GLY   1 -12.068  -4.671  -0.636
    3    HA3  GLY   1           1HA      GLY   1 -13.164  -3.739  -1.635
    4    H    VAL   2           H        VAL   2 -10.714  -1.694  -1.523
    5    HA   VAL   2           HA       VAL   2  -9.340  -2.978  -3.790
    6    HB   VAL   2           HB       VAL   2  -9.516  -0.023  -3.177
    7   HG11  VAL   2          1HG1      VAL   2  -8.530  -1.497  -5.612
    8   HG12  VAL   2          2HG1      VAL   2  -7.552  -0.591  -4.454
    9   HG13  VAL   2          3HG1      VAL   2  -8.717   0.251  -5.480
   10   HG21  VAL   2          3HG2      VAL   2 -11.081  -1.595  -5.227
   11   HG22  VAL   2          1HG2      VAL   2 -11.105   0.154  -5.018
   12   HG23  VAL   2          2HG2      VAL   2 -11.730  -0.892  -3.742
   13    H    CYS   3           H        CYS   3  -7.397  -3.748  -3.127
   14    HA   CYS   3           HA       CYS   3  -5.940  -2.094  -1.216
   15    HB2  CYS   3           2HB      CYS   3  -5.554  -5.007  -1.906
   16    HB3  CYS   3           1HB      CYS   3  -4.470  -4.097  -0.865
   17    H    ARG   4           H        ARG   4  -4.360  -0.948  -1.892
   18    HA   ARG   4           HA       ARG   4  -3.040  -1.609  -4.439
   19    HB2  ARG   4           2HB      ARG   4  -4.220   0.521  -4.545
   20    HB3  ARG   4           1HB      ARG   4  -3.461   1.051  -3.053
   21    HG2  ARG   4           2HG      ARG   4  -1.316   1.187  -4.134
   22    HG3  ARG   4           1HG      ARG   4  -1.975   0.474  -5.604
   23    HD2  ARG   4           2HD      ARG   4  -2.905   3.079  -4.413
   24    HD3  ARG   4           1HD      ARG   4  -1.713   2.953  -5.701
   25    HE   ARG   4           HE       ARG   4  -3.996   1.546  -6.471
   26   HH11  ARG   4          1HH1      ARG   4  -3.053   4.906  -5.890
   27   HH12  ARG   4          2HH1      ARG   4  -4.149   5.558  -7.001
   28   HH21  ARG   4          1HH2      ARG   4  -5.485   2.456  -8.016
   29   HH22  ARG   4          2HH2      ARG   4  -5.573   4.133  -8.251
   30    H    CYS   5           H        CYS   5  -0.987  -2.281  -4.238
   31    HA   CYS   5           HA       CYS   5   0.308  -1.792  -1.656
   32    HB2  CYS   5           2HB      CYS   5   0.851  -4.004  -3.614
   33    HB3  CYS   5           1HB      CYS   5   1.587  -3.812  -2.031
   34    H    VAL   6           H        VAL   6   2.300  -1.080  -1.500
   35    HA   VAL   6           HA       VAL   6   3.764  -0.432  -3.926
   36    HB   VAL   6           HB       VAL   6   2.575   1.630  -3.266
   37   HG11  VAL   6          1HG1      VAL   6   3.965   1.371  -0.612
   38   HG12  VAL   6          2HG1      VAL   6   2.234   1.238  -0.916
   39   HG13  VAL   6          3HG1      VAL   6   3.059   2.783  -1.154
   40   HG21  VAL   6          3HG2      VAL   6   4.499   3.159  -3.078
   41   HG22  VAL   6          1HG2      VAL   6   4.776   1.892  -4.276
   42   HG23  VAL   6          2HG2      VAL   6   5.534   1.784  -2.687
   43    H    CYS   7           H        CYS   7   5.953  -0.717  -3.747
   44    HA   CYS   7           HA       CYS   7   6.828  -1.688  -1.146
   45    HB2  CYS   7           2HB      CYS   7   7.873  -2.486  -3.864
   46    HB3  CYS   7           1HB      CYS   7   8.436  -3.070  -2.301
   47    H    ARG   8           H        ARG   8   8.471  -0.837  -0.238
   48    HA   ARG   8           HA       ARG   8  10.293   0.842  -1.780
   49    HB2  ARG   8           2HB      ARG   8   8.592   2.346  -0.750
   50    HB3  ARG   8           1HB      ARG   8   9.057   1.729   0.833
   51    HG2  ARG   8           2HG      ARG   8  11.322   2.559   0.499
   52    HG3  ARG   8           1HG      ARG   8  10.861   3.195  -1.080
   53    HD2  ARG   8           2HD      ARG   8  10.801   5.014   0.441
   54    HD3  ARG   8           1HD      ARG   8   9.132   4.574   0.101
   55    HE   ARG   8           HE       ARG   8   9.895   3.185   2.382
   56   HH11  ARG   8          1HH1      ARG   8   9.228   6.496   1.370
   57   HH12  ARG   8          2HH1      ARG   8   9.057   7.109   2.954
   58   HH21  ARG   8          1HH2      ARG   8   9.653   3.993   4.537
   59   HH22  ARG   8          2HH2      ARG   8   9.333   5.660   4.815
   60    H    ARG   9           H        ARG   9  12.271   0.209  -1.384
   61    HA   ARG   9           HA       ARG   9  14.153  -0.585  -0.385
   62    HB2  ARG   9           2HB      ARG   9  13.652   1.275   1.208
   63    HB3  ARG   9           1HB      ARG   9  12.714   0.167   2.182
   64    HG2  ARG   9           2HG      ARG   9  14.872   0.580   3.211
   65    HG3  ARG   9           1HG      ARG   9  14.792  -1.096   2.674
   66    HD2  ARG   9           2HD      ARG   9  16.090  -0.548   0.699
   67    HD3  ARG   9           1HD      ARG   9  16.097   1.154   1.158
   68    HE   ARG   9           HE       ARG   9  17.211  -0.626   3.130
   69   HH11  ARG   9          1HH1      ARG   9  17.924   1.271   0.242
   70   HH12  ARG   9          2HH1      ARG   9  19.558   1.540   0.661
   71   HH21  ARG   9          1HH2      ARG   9  19.500  -0.321   3.643
   72   HH22  ARG   9          2HH2      ARG   9  20.458   0.619   2.592
   73    H    GLY  10           H        GLY  10  11.891  -2.348  -0.942
   74    HA2  GLY  10           2HA      GLY  10  11.782  -4.680  -0.884
   75    HA3  GLY  10           1HA      GLY  10  12.844  -4.674   0.518
   76    H    VAL  11           H        VAL  11  10.690  -2.434   1.355
   77    HA   VAL  11           HA       VAL  11   9.050  -4.366   2.816
   78    HB   VAL  11           HB       VAL  11   9.248  -1.358   3.176
   79   HG11  VAL  11          1HG1      VAL  11   8.214  -1.768   5.367
   80   HG12  VAL  11          2HG1      VAL  11   8.088  -3.483   4.973
   81   HG13  VAL  11          3HG1      VAL  11   7.183  -2.296   4.037
   82   HG21  VAL  11          3HG2      VAL  11  10.656  -1.814   5.141
   83   HG22  VAL  11          1HG2      VAL  11  11.418  -2.364   3.649
   84   HG23  VAL  11          2HG2      VAL  11  10.658  -3.529   4.732
   85    H    CYS  12           H        CYS  12   7.014  -4.707   2.139
   86    HA   CYS  12           HA       CYS  12   5.978  -2.771   0.227
   87    HB2  CYS  12           2HB      CYS  12   5.278  -5.707   0.477
   88    HB3  CYS  12           1HB      CYS  12   4.575  -4.586  -0.676
   89    H    ARG  13           H        ARG  13   4.334  -1.609   0.861
   90    HA   ARG  13           HA       ARG  13   2.705  -2.671   3.067
   91    HB2  ARG  13           2HB      ARG  13   3.983  -0.571   3.638
   92    HB3  ARG  13           1HB      ARG  13   3.065   0.261   2.385
   93    HG2  ARG  13           2HG      ARG  13   0.976  -0.317   3.558
   94    HG3  ARG  13           1HG      ARG  13   1.920  -1.068   4.837
   95    HD2  ARG  13           2HD      ARG  13   1.259   1.114   5.551
   96    HD3  ARG  13           1HD      ARG  13   2.993   1.128   5.254
   97    HE   ARG  13           HE       ARG  13   2.645   2.412   3.327
   98   HH11  ARG  13          1HH1      ARG  13  -0.430   1.800   4.995
   99   HH12  ARG  13          2HH1      ARG  13  -1.197   3.214   4.477
  100   HH21  ARG  13          1HH2      ARG  13   1.620   4.358   2.567
  101   HH22  ARG  13          2HH2      ARG  13   0.017   4.746   3.001
  102    H    CYS  14           H        CYS  14   0.556  -2.775   2.766
  103    HA   CYS  14           HA       CYS  14  -0.370  -1.837   0.178
  104    HB2  CYS  14           2HB      CYS  14  -1.537  -3.981   1.908
  105    HB3  CYS  14           1HB      CYS  14  -2.134  -3.493   0.336
  106    H    VAL  15           H        VAL  15  -1.913  -0.551   0.020
  107    HA   VAL  15           HA       VAL  15  -3.107   0.582   2.430
  108    HB   VAL  15           HB       VAL  15  -3.085   1.643  -0.419
  109   HG11  VAL  15          1HG1      VAL  15  -4.960   2.484   0.877
  110   HG12  VAL  15          2HG1      VAL  15  -3.791   3.770   0.567
  111   HG13  VAL  15          3HG1      VAL  15  -3.858   3.006   2.153
  112   HG21  VAL  15          3HG2      VAL  15  -1.355   2.487   1.905
  113   HG22  VAL  15          1HG2      VAL  15  -1.394   3.255   0.321
  114   HG23  VAL  15          2HG2      VAL  15  -0.816   1.592   0.489
  115    H    CYS  16           H        CYS  16  -5.086  -0.230   2.797
  116    HA   CYS  16           HA       CYS  16  -6.513  -1.228   0.473
  117    HB2  CYS  16           2HB      CYS  16  -6.697  -2.213   3.325
  118    HB3  CYS  16           1HB      CYS  16  -7.748  -2.679   1.983
  119    H    ARG  17           H        ARG  17  -8.315  -0.410  -0.015
  120    HA   ARG  17           HA       ARG  17  -9.738   1.223   1.929
  121    HB2  ARG  17           2HB      ARG  17  -8.270   2.686   0.564
  122    HB3  ARG  17           1HB      ARG  17  -9.096   2.106  -0.873
  123    HG2  ARG  17           2HG      ARG  17 -11.150   3.098  -0.201
  124    HG3  ARG  17           1HG      ARG  17 -10.491   3.513   1.381
  125    HD2  ARG  17           2HD      ARG  17  -9.506   4.571  -1.255
  126    HD3  ARG  17           1HD      ARG  17 -10.522   5.453  -0.110
  127    HE   ARG  17           HE       ARG  17  -8.473   4.813   1.432
  128   HH11  ARG  17          1HH1      ARG  17  -8.461   6.170  -1.837
  129   HH12  ARG  17          2HH1      ARG  17  -6.998   7.020  -1.651
  130   HH21  ARG  17          1HH2      ARG  17  -6.460   5.965   1.714
  131   HH22  ARG  17          2HH2      ARG  17  -5.797   6.861   0.430
  132    H    ARG  18           H        ARG  18 -11.397  -0.021   2.119
  133    HA   ARG  18           HA       ARG  18 -13.290  -1.124   1.759
  134    HB2  ARG  18           2HB      ARG  18 -13.850   1.280   1.433
  135    HB3  ARG  18           1HB      ARG  18 -13.716   1.050  -0.298
  136    HG2  ARG  18           2HG      ARG  18 -16.037   1.016   0.386
  137    HG3  ARG  18           1HG      ARG  18 -15.564  -0.584  -0.190
  138    HD2  ARG  18           2HD      ARG  18 -15.223  -1.300   2.128
  139    HD3  ARG  18           1HD      ARG  18 -15.722   0.296   2.690
  140    HE   ARG  18           HE       ARG  18 -17.790  -0.607   1.179
  141   HH11  ARG  18          1HH1      ARG  18 -16.012  -1.792   4.007
  142   HH12  ARG  18          2HH1      ARG  18 -17.343  -2.676   4.622
  143   HH21  ARG  18          1HH2      ARG  18 -19.595  -1.831   2.047
  144   HH22  ARG  18          2HH2      ARG  18 -19.408  -2.698   3.505
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -11.935  -2.775  -0.080
    2    HA2  GLY   1           2HA      GLY   1 -12.217  -4.495  -1.626
    3    HA3  GLY   1           1HA      GLY   1 -12.974  -3.355  -2.725
    4    H    VAL   2           H        VAL   2 -10.490  -1.544  -2.192
    5    HA   VAL   2           HA       VAL   2  -8.909  -2.932  -4.211
    6    HB   VAL   2           HB       VAL   2  -9.030   0.032  -3.580
    7   HG11  VAL   2          1HG1      VAL   2  -7.614   0.329  -5.578
    8   HG12  VAL   2          2HG1      VAL   2  -7.474  -1.426  -5.723
    9   HG13  VAL   2          3HG1      VAL   2  -6.788  -0.602  -4.328
   10   HG21  VAL   2          3HG2      VAL   2 -11.023  -0.795  -4.727
   11   HG22  VAL   2          1HG2      VAL   2 -10.011  -1.529  -5.970
   12   HG23  VAL   2          2HG2      VAL   2 -10.066   0.226  -5.802
   13    H    CYS   3           H        CYS   3  -7.256  -3.970  -3.347
   14    HA   CYS   3           HA       CYS   3  -5.836  -2.637  -1.181
   15    HB2  CYS   3           2HB      CYS   3  -5.694  -5.516  -2.099
   16    HB3  CYS   3           1HB      CYS   3  -4.642  -4.826  -0.872
   17    H    ARG   4           H        ARG   4  -4.153  -1.611  -1.572
   18    HA   ARG   4           HA       ARG   4  -2.751  -1.963  -4.113
   19    HB2  ARG   4           2HB      ARG   4  -3.677   0.259  -3.722
   20    HB3  ARG   4           1HB      ARG   4  -2.875   0.342  -2.165
   21    HG2  ARG   4           2HG      ARG   4  -0.694   0.285  -3.318
   22    HG3  ARG   4           1HG      ARG   4  -1.541   0.293  -4.863
   23    HD2  ARG   4           2HD      ARG   4  -1.746   2.424  -2.739
   24    HD3  ARG   4           1HD      ARG   4  -0.783   2.546  -4.206
   25    HE   ARG   4           HE       ARG   4  -3.243   2.012  -5.151
   26   HH11  ARG   4          1HH1      ARG   4  -2.033   4.538  -2.922
   27   HH12  ARG   4          2HH1      ARG   4  -3.255   5.629  -3.320
   28   HH21  ARG   4          1HH2      ARG   4  -4.907   3.548  -5.653
   29   HH22  ARG   4          2HH2      ARG   4  -4.917   5.068  -4.880
   30    H    CYS   5           H        CYS   5  -0.947  -3.160  -3.854
   31    HA   CYS   5           HA       CYS   5   0.525  -2.819  -1.349
   32    HB2  CYS   5           2HB      CYS   5   0.701  -5.112  -3.271
   33    HB3  CYS   5           1HB      CYS   5   1.556  -4.965  -1.757
   34    H    VAL   6           H        VAL   6   2.400  -2.051  -1.451
   35    HA   VAL   6           HA       VAL   6   3.743  -1.755  -4.017
   36    HB   VAL   6           HB       VAL   6   2.445   0.322  -3.620
   37   HG11  VAL   6          1HG1      VAL   6   2.341   0.350  -1.217
   38   HG12  VAL   6          2HG1      VAL   6   3.010   1.866  -1.814
   39   HG13  VAL   6          3HG1      VAL   6   4.075   0.645  -1.116
   40   HG21  VAL   6          3HG2      VAL   6   4.494   0.513  -4.881
   41   HG22  VAL   6          1HG2      VAL   6   5.425   0.688  -3.392
   42   HG23  VAL   6          2HG2      VAL   6   4.285   1.944  -3.872
   43    H    CYS   7           H        CYS   7   5.960  -1.889  -3.860
   44    HA   CYS   7           HA       CYS   7   6.955  -2.411  -1.178
   45    HB2  CYS   7           2HB      CYS   7   8.065  -3.347  -3.817
   46    HB3  CYS   7           1HB      CYS   7   8.670  -3.766  -2.217
   47    H    ARG   8           H        ARG   8   8.552  -1.384  -0.356
   48    HA   ARG   8           HA       ARG   8  10.097   0.385  -2.064
   49    HB2  ARG   8           2HB      ARG   8   8.255   1.742  -1.135
   50    HB3  ARG   8           1HB      ARG   8   8.753   1.283   0.477
   51    HG2  ARG   8           2HG      ARG   8  10.775   2.500   0.318
   52    HG3  ARG   8           1HG      ARG   8  10.578   2.745  -1.415
   53    HD2  ARG   8           2HD      ARG   8   8.787   3.850   0.742
   54    HD3  ARG   8           1HD      ARG   8   9.996   4.766  -0.164
   55    HE   ARG   8           HE       ARG   8   8.402   3.645  -2.069
   56   HH11  ARG   8          1HH1      ARG   8   7.752   5.753   0.696
   57   HH12  ARG   8          2HH1      ARG   8   6.454   6.559  -0.047
   58   HH21  ARG   8          1HH2      ARG   8   6.620   4.713  -3.065
   59   HH22  ARG   8          2HH2      ARG   8   5.766   5.935  -2.256
   60    H    ARG   9           H        ARG   9  12.076  -0.138  -1.787
   61    HA   ARG   9           HA       ARG   9  14.064  -0.687  -0.938
   62    HB2  ARG   9           2HB      ARG   9  13.530   1.446   0.290
   63    HB3  ARG   9           1HB      ARG   9  12.970   0.479   1.631
   64    HG2  ARG   9           2HG      ARG   9  15.182  -0.319   2.064
   65    HG3  ARG   9           1HG      ARG   9  15.783   0.386   0.558
   66    HD2  ARG   9           2HD      ARG   9  14.685   1.906   2.925
   67    HD3  ARG   9           1HD      ARG   9  16.382   1.817   2.434
   68    HE   ARG   9           HE       ARG   9  14.976   2.708   0.239
   69   HH11  ARG   9          1HH1      ARG   9  15.692   3.961   3.462
   70   HH12  ARG   9          2HH1      ARG   9  15.514   5.588   3.014
   71   HH21  ARG   9          1HH2      ARG   9  14.722   4.892  -0.368
   72   HH22  ARG   9          2HH2      ARG   9  14.945   6.150   0.766
   73    H    GLY  10           H        GLY  10  12.171  -2.700  -1.032
   74    HA2  GLY  10           2HA      GLY  10  12.379  -4.959  -0.517
   75    HA3  GLY  10           1HA      GLY  10  13.314  -4.534   0.914
   76    H    VAL  11           H        VAL  11  10.990  -2.508   1.409
   77    HA   VAL  11           HA       VAL  11   9.493  -4.426   3.012
   78    HB   VAL  11           HB       VAL  11   9.443  -1.395   3.122
   79   HG11  VAL  11          1HG1      VAL  11   8.420  -3.442   5.088
   80   HG12  VAL  11          2HG1      VAL  11   7.434  -2.433   4.035
   81   HG13  VAL  11          3HG1      VAL  11   8.398  -1.695   5.315
   82   HG21  VAL  11          3HG2      VAL  11  11.669  -2.212   3.683
   83   HG22  VAL  11          1HG2      VAL  11  10.979  -3.334   4.857
   84   HG23  VAL  11          2HG2      VAL  11  10.860  -1.595   5.121
   85    H    CYS  12           H        CYS  12   7.742  -5.221   2.018
   86    HA   CYS  12           HA       CYS  12   6.265  -3.478   0.242
   87    HB2  CYS  12           2HB      CYS  12   5.882  -6.416   0.832
   88    HB3  CYS  12           1HB      CYS  12   5.009  -5.495  -0.386
   89    H    ARG  13           H        ARG  13   4.349  -2.679   0.629
   90    HA   ARG  13           HA       ARG  13   3.078  -3.355   3.179
   91    HB2  ARG  13           2HB      ARG  13   4.424  -1.354   3.482
   92    HB3  ARG  13           1HB      ARG  13   3.694  -0.621   2.067
   93    HG2  ARG  13           2HG      ARG  13   1.545  -0.532   3.212
   94    HG3  ARG  13           1HG      ARG  13   2.273  -1.300   4.630
   95    HD2  ARG  13           2HD      ARG  13   3.793   0.560   4.896
   96    HD3  ARG  13           1HD      ARG  13   3.181   1.307   3.423
   97    HE   ARG  13           HE       ARG  13   0.987   1.025   4.963
   98   HH11  ARG  13          1HH1      ARG  13   4.145   2.493   5.531
   99   HH12  ARG  13          2HH1      ARG  13   3.545   3.756   6.513
  100   HH21  ARG  13          1HH2      ARG  13   0.166   2.757   6.348
  101   HH22  ARG  13          2HH2      ARG  13   1.244   3.889   7.009
  102    H    CYS  14           H        CYS  14   0.869  -3.452   3.056
  103    HA   CYS  14           HA       CYS  14  -0.317  -2.719   0.481
  104    HB2  CYS  14           2HB      CYS  14  -1.244  -4.803   2.427
  105    HB3  CYS  14           1HB      CYS  14  -2.026  -4.396   0.914
  106    H    VAL  15           H        VAL  15  -1.951  -1.486   0.443
  107    HA   VAL  15           HA       VAL  15  -3.169  -0.533   2.954
  108    HB   VAL  15           HB       VAL  15  -2.899   0.987   0.328
  109   HG11  VAL  15          1HG1      VAL  15  -3.851   1.921   3.028
  110   HG12  VAL  15          2HG1      VAL  15  -4.851   1.651   1.599
  111   HG13  VAL  15          3HG1      VAL  15  -3.644   2.939   1.604
  112   HG21  VAL  15          3HG2      VAL  15  -1.246   2.408   1.425
  113   HG22  VAL  15          1HG2      VAL  15  -0.695   0.736   1.389
  114   HG23  VAL  15          2HG2      VAL  15  -1.338   1.433   2.881
  115    H    CYS  16           H        CYS  16  -5.184  -1.379   3.034
  116    HA   CYS  16           HA       CYS  16  -6.522  -1.870   0.508
  117    HB2  CYS  16           2HB      CYS  16  -7.104  -3.020   3.240
  118    HB3  CYS  16           1HB      CYS  16  -8.065  -3.262   1.775
  119    H    ARG  17           H        ARG  17  -8.138  -0.819  -0.103
  120    HA   ARG  17           HA       ARG  17  -9.536   0.917   1.775
  121    HB2  ARG  17           2HB      ARG  17  -7.636   2.120   0.613
  122    HB3  ARG  17           1HB      ARG  17  -8.486   1.843  -0.895
  123    HG2  ARG  17           2HG      ARG  17  -8.943   4.066  -0.143
  124    HG3  ARG  17           1HG      ARG  17 -10.416   3.087   0.017
  125    HD2  ARG  17           2HD      ARG  17 -10.067   2.830   2.368
  126    HD3  ARG  17           1HD      ARG  17  -8.476   3.578   2.278
  127    HE   ARG  17           HE       ARG  17 -10.328   5.393   1.332
  128   HH11  ARG  17          1HH1      ARG  17  -9.630   3.728   4.390
  129   HH12  ARG  17          2HH1      ARG  17 -10.151   5.011   5.386
  130   HH21  ARG  17          1HH2      ARG  17 -11.044   7.200   2.753
  131   HH22  ARG  17          2HH2      ARG  17 -10.959   7.001   4.435
  132    H    ARG  18           H        ARG  18 -11.382  -0.216   1.592
  133    HA   ARG  18           HA       ARG  18 -13.319  -1.012   0.797
  134    HB2  ARG  18           2HB      ARG  18 -13.682   1.403   0.681
  135    HB3  ARG  18           1HB      ARG  18 -13.057   1.434  -0.953
  136    HG2  ARG  18           2HG      ARG  18 -14.943   0.095  -1.727
  137    HG3  ARG  18           1HG      ARG  18 -15.535  -0.062  -0.073
  138    HD2  ARG  18           2HD      ARG  18 -15.255   2.517  -1.611
  139    HD3  ARG  18           1HD      ARG  18 -16.759   1.644  -1.323
  140    HE   ARG  18           HE       ARG  18 -15.617   2.060   1.142
  141   HH11  ARG  18          1HH1      ARG  18 -16.762   4.143  -1.495
  142   HH12  ARG  18          2HH1      ARG  18 -17.328   5.370  -0.463
  143   HH21  ARG  18          1HH2      ARG  18 -16.373   3.775   2.556
  144   HH22  ARG  18          2HH2      ARG  18 -17.097   5.160   1.882
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -11.718  -1.350   1.092
    2    HA2  GLY   1           2HA      GLY   1 -12.420  -3.442   0.359
    3    HA3  GLY   1           1HA      GLY   1 -13.327  -2.665  -0.932
    4    H    VAL   2           H        VAL   2 -10.642  -1.097  -1.338
    5    HA   VAL   2           HA       VAL   2  -9.657  -3.035  -3.283
    6    HB   VAL   2           HB       VAL   2  -9.051  -0.077  -3.041
    7   HG11  VAL   2          1HG1      VAL   2  -8.497  -2.012  -5.290
    8   HG12  VAL   2          2HG1      VAL   2  -7.301  -1.307  -4.208
    9   HG13  VAL   2          3HG1      VAL   2  -8.189  -0.275  -5.332
   10   HG21  VAL   2          3HG2      VAL   2 -10.569   0.201  -4.973
   11   HG22  VAL   2          1HG2      VAL   2 -11.404  -0.399  -3.537
   12   HG23  VAL   2          2HG2      VAL   2 -10.997  -1.506  -4.847
   13    H    CYS   3           H        CYS   3  -8.029  -4.231  -2.591
   14    HA   CYS   3           HA       CYS   3  -6.128  -3.046  -0.745
   15    HB2  CYS   3           2HB      CYS   3  -6.573  -5.919  -1.553
   16    HB3  CYS   3           1HB      CYS   3  -5.264  -5.390  -0.506
   17    H    ARG   4           H        ARG   4  -4.283  -2.349  -1.470
   18    HA   ARG   4           HA       ARG   4  -3.264  -3.479  -3.975
   19    HB2  ARG   4           2HB      ARG   4  -4.437  -1.348  -4.422
   20    HB3  ARG   4           1HB      ARG   4  -3.353  -0.540  -3.300
   21    HG2  ARG   4           2HG      ARG   4  -1.459  -1.043  -4.736
   22    HG3  ARG   4           1HG      ARG   4  -2.528  -1.906  -5.853
   23    HD2  ARG   4           2HD      ARG   4  -3.806   0.160  -6.181
   24    HD3  ARG   4           1HD      ARG   4  -2.684   1.006  -5.124
   25    HE   ARG   4           HE       ARG   4  -1.075  -0.066  -6.988
   26   HH11  ARG   4          1HH1      ARG   4  -3.994   1.917  -7.175
   27   HH12  ARG   4          2HH1      ARG   4  -3.540   2.694  -8.616
   28   HH21  ARG   4          1HH2      ARG   4  -0.456   1.051  -9.017
   29   HH22  ARG   4          2HH2      ARG   4  -1.528   2.207  -9.655
   30    H    CYS   5           H        CYS   5  -1.068  -3.780  -3.992
   31    HA   CYS   5           HA       CYS   5   0.305  -3.081  -1.510
   32    HB2  CYS   5           2HB      CYS   5   1.233  -5.012  -3.617
   33    HB3  CYS   5           1HB      CYS   5   1.886  -4.813  -1.997
   34    H    VAL   6           H        VAL   6   2.010  -1.934  -1.356
   35    HA   VAL   6           HA       VAL   6   3.023  -0.591  -3.773
   36    HB   VAL   6           HB       VAL   6   2.523   0.655  -1.039
   37   HG11  VAL   6          1HG1      VAL   6   4.410   1.676  -2.180
   38   HG12  VAL   6          2HG1      VAL   6   3.048   2.792  -2.092
   39   HG13  VAL   6          3HG1      VAL   6   3.404   1.963  -3.603
   40   HG21  VAL   6          3HG2      VAL   6   0.752   1.982  -2.120
   41   HG22  VAL   6          1HG2      VAL   6   0.404   0.253  -2.152
   42   HG23  VAL   6          2HG2      VAL   6   0.986   1.061  -3.605
   43    H    CYS   7           H        CYS   7   5.287  -0.415  -3.779
   44    HA   CYS   7           HA       CYS   7   6.622  -1.507  -1.419
   45    HB2  CYS   7           2HB      CYS   7   7.665  -1.522  -4.255
   46    HB3  CYS   7           1HB      CYS   7   8.455  -2.138  -2.794
   47    H    ARG   8           H        ARG   8   7.826  -0.358  -0.335
   48    HA   ARG   8           HA       ARG   8   8.902   2.145  -1.443
   49    HB2  ARG   8           2HB      ARG   8   6.868   2.640  -0.120
   50    HB3  ARG   8           1HB      ARG   8   7.579   1.823   1.262
   51    HG2  ARG   8           2HG      ARG   8   9.415   3.504   1.227
   52    HG3  ARG   8           1HG      ARG   8   8.543   4.359  -0.046
   53    HD2  ARG   8           2HD      ARG   8   7.496   3.770   2.723
   54    HD3  ARG   8           1HD      ARG   8   8.123   5.321   2.181
   55    HE   ARG   8           HE       ARG   8   6.139   4.792   0.428
   56   HH11  ARG   8          1HH1      ARG   8   6.254   4.841   3.972
   57   HH12  ARG   8          2HH1      ARG   8   4.636   5.368   4.158
   58   HH21  ARG   8          1HH2      ARG   8   3.878   5.543   0.713
   59   HH22  ARG   8          2HH2      ARG   8   3.282   5.754   2.282
   60    H    ARG   9           H        ARG   9  11.012   1.879  -1.367
   61    HA   ARG   9           HA       ARG   9  13.108   1.426  -0.725
   62    HB2  ARG   9           2HB      ARG   9  12.505   3.124   1.004
   63    HB3  ARG   9           1HB      ARG   9  12.011   1.829   2.075
   64    HG2  ARG   9           2HG      ARG   9  14.189   2.669   2.699
   65    HG3  ARG   9           1HG      ARG   9  14.320   1.003   2.141
   66    HD2  ARG   9           2HD      ARG   9  15.081   1.818  -0.053
   67    HD3  ARG   9           1HD      ARG   9  14.964   3.478   0.535
   68    HE   ARG   9           HE       ARG   9  16.694   1.552   1.897
   69   HH11  ARG   9          1HH1      ARG   9  16.387   4.462  -0.077
   70   HH12  ARG   9          2HH1      ARG   9  17.953   5.017   0.218
   71   HH21  ARG   9          1HH2      ARG   9  18.897   2.338   2.331
   72   HH22  ARG   9          2HH2      ARG   9  19.409   3.789   1.623
   73    H    GLY  10           H        GLY  10  11.675  -0.769  -1.315
   74    HA2  GLY  10           2HA      GLY  10  12.227  -3.017  -1.374
   75    HA3  GLY  10           1HA      GLY  10  13.216  -2.785   0.060
   76    H    VAL  11           H        VAL  11  10.497  -1.413   1.047
   77    HA   VAL  11           HA       VAL  11   9.527  -3.919   2.149
   78    HB   VAL  11           HB       VAL  11   8.993  -1.063   3.032
   79   HG11  VAL  11          1HG1      VAL  11   7.968  -2.068   5.028
   80   HG12  VAL  11          2HG1      VAL  11   8.213  -3.674   4.347
   81   HG13  VAL  11          3HG1      VAL  11   7.114  -2.542   3.559
   82   HG21  VAL  11          3HG2      VAL  11  10.715  -3.206   4.276
   83   HG22  VAL  11          1HG2      VAL  11  10.392  -1.613   4.959
   84   HG23  VAL  11          2HG2      VAL  11  11.292  -1.764   3.445
   85    H    CYS  12           H        CYS  12   7.928  -4.754   1.080
   86    HA   CYS  12           HA       CYS  12   6.090  -2.999  -0.312
   87    HB2  CYS  12           2HB      CYS  12   6.391  -6.008  -0.433
   88    HB3  CYS  12           1HB      CYS  12   5.302  -5.040  -1.423
   89    H    ARG  13           H        ARG  13   4.298  -2.507   0.526
   90    HA   ARG  13           HA       ARG  13   3.245  -4.132   2.736
   91    HB2  ARG  13           2HB      ARG  13   4.285  -2.065   3.553
   92    HB3  ARG  13           1HB      ARG  13   3.299  -1.127   2.445
   93    HG2  ARG  13           2HG      ARG  13   1.286  -1.880   3.619
   94    HG3  ARG  13           1HG      ARG  13   2.307  -2.787   4.736
   95    HD2  ARG  13           2HD      ARG  13   3.374  -0.734   5.459
   96    HD3  ARG  13           1HD      ARG  13   2.410   0.192   4.310
   97    HE   ARG  13           HE       ARG  13   0.687  -1.272   5.899
   98   HH11  ARG  13          1HH1      ARG  13   3.040   1.320   6.353
   99   HH12  ARG  13          2HH1      ARG  13   2.165   2.144   7.551
  100   HH21  ARG  13          1HH2      ARG  13  -0.564  -0.165   7.561
  101   HH22  ARG  13          2HH2      ARG  13   0.035   1.279   8.244
  102    H    CYS  14           H        CYS  14   1.025  -4.500   2.650
  103    HA   CYS  14           HA       CYS  14  -0.222  -3.415   0.278
  104    HB2  CYS  14           2HB      CYS  14  -1.124  -5.773   1.877
  105    HB3  CYS  14           1HB      CYS  14  -1.766  -5.241   0.337
  106    H    VAL  15           H        VAL  15  -1.731  -2.184   0.315
  107    HA   VAL  15           HA       VAL  15  -2.722  -1.260   2.923
  108    HB   VAL  15           HB       VAL  15  -2.523   0.318   0.350
  109   HG11  VAL  15          1HG1      VAL  15  -2.870   2.268   1.802
  110   HG12  VAL  15          2HG1      VAL  15  -3.085   1.186   3.174
  111   HG13  VAL  15          3HG1      VAL  15  -4.235   1.153   1.837
  112   HG21  VAL  15          3HG2      VAL  15  -0.613   1.496   1.387
  113   HG22  VAL  15          1HG2      VAL  15  -0.273  -0.215   1.109
  114   HG23  VAL  15          2HG2      VAL  15  -0.666   0.350   2.728
  115    H    CYS  16           H        CYS  16  -4.801  -1.662   3.230
  116    HA   CYS  16           HA       CYS  16  -6.465  -2.031   0.876
  117    HB2  CYS  16           2HB      CYS  16  -6.945  -2.979   3.698
  118    HB3  CYS  16           1HB      CYS  16  -8.055  -3.142   2.331
  119    H    ARG  17           H        ARG  17  -7.948  -0.718   0.438
  120    HA   ARG  17           HA       ARG  17  -9.064   1.028   2.473
  121    HB2  ARG  17           2HB      ARG  17  -7.110   2.286   1.758
  122    HB3  ARG  17           1HB      ARG  17  -7.569   2.094   0.074
  123    HG2  ARG  17           2HG      ARG  17  -9.551   3.477   0.450
  124    HG3  ARG  17           1HG      ARG  17  -9.108   3.648   2.148
  125    HD2  ARG  17           2HD      ARG  17  -8.451   5.602   0.781
  126    HD3  ARG  17           1HD      ARG  17  -7.076   4.814   1.552
  127    HE   ARG  17           HE       ARG  17  -7.452   3.738  -1.010
  128   HH11  ARG  17          1HH1      ARG  17  -6.374   6.782   0.451
  129   HH12  ARG  17          2HH1      ARG  17  -5.323   7.185  -0.822
  130   HH21  ARG  17          1HH2      ARG  17  -5.987   4.269  -2.734
  131   HH22  ARG  17          2HH2      ARG  17  -5.108   5.723  -2.689
  132    H    ARG  18           H        ARG  18 -11.115   0.980   2.192
  133    HA   ARG  18           HA       ARG  18 -13.194   1.005   1.349
  134    HB2  ARG  18           2HB      ARG  18 -12.220   3.108   0.301
  135    HB3  ARG  18           1HB      ARG  18 -11.955   2.170  -1.152
  136    HG2  ARG  18           2HG      ARG  18 -13.969   3.577  -1.262
  137    HG3  ARG  18           1HG      ARG  18 -14.323   1.857  -1.444
  138    HD2  ARG  18           2HD      ARG  18 -15.921   3.069   0.029
  139    HD3  ARG  18           1HD      ARG  18 -15.119   1.720   0.820
  140    HE   ARG  18           HE       ARG  18 -13.530   3.674   1.564
  141   HH11  ARG  18          1HH1      ARG  18 -17.072   3.809   1.399
  142   HH12  ARG  18          2HH1      ARG  18 -17.207   4.827   2.762
  143   HH21  ARG  18          1HH2      ARG  18 -13.750   4.979   3.436
  144   HH22  ARG  18          2HH2      ARG  18 -15.295   5.491   3.960
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -10.574  -0.641   2.704
    2    HA2  GLY   1           2HA      GLY   1 -10.936  -2.945   2.920
    3    HA3  GLY   1           1HA      GLY   1 -12.361  -2.787   1.903
    4    H    VAL   2           H        VAL   2 -10.604  -1.110   0.030
    5    HA   VAL   2           HA       VAL   2  -9.829  -3.382  -1.569
    6    HB   VAL   2           HB       VAL   2  -9.756  -0.425  -2.235
    7   HG11  VAL   2          1HG1      VAL   2  -9.655  -1.165  -4.579
    8   HG12  VAL   2          2HG1      VAL   2  -9.546  -2.837  -4.031
    9   HG13  VAL   2          3HG1      VAL   2  -8.256  -1.700  -3.649
   10   HG21  VAL   2          3HG2      VAL   2 -11.846  -2.503  -2.899
   11   HG22  VAL   2          1HG2      VAL   2 -11.833  -0.839  -3.481
   12   HG23  VAL   2          2HG2      VAL   2 -12.032  -1.168  -1.762
   13    H    CYS   3           H        CYS   3  -7.820  -4.163  -1.401
   14    HA   CYS   3           HA       CYS   3  -5.787  -2.410  -0.292
   15    HB2  CYS   3           2HB      CYS   3  -5.766  -5.411  -0.635
   16    HB3  CYS   3           1HB      CYS   3  -4.478  -4.470   0.108
   17    H    ARG   4           H        ARG   4  -4.191  -1.565  -1.328
   18    HA   ARG   4           HA       ARG   4  -3.490  -2.601  -3.975
   19    HB2  ARG   4           2HB      ARG   4  -3.811   0.308  -3.172
   20    HB3  ARG   4           1HB      ARG   4  -3.168  -0.235  -4.715
   21    HG2  ARG   4           2HG      ARG   4  -5.954  -0.828  -3.711
   22    HG3  ARG   4           1HG      ARG   4  -5.549   0.470  -4.830
   23    HD2  ARG   4           2HD      ARG   4  -4.770  -1.134  -6.470
   24    HD3  ARG   4           1HD      ARG   4  -4.992  -2.456  -5.332
   25    HE   ARG   4           HE       ARG   4  -7.384  -2.003  -5.439
   26   HH11  ARG   4          1HH1      ARG   4  -5.415  -0.730  -8.104
   27   HH12  ARG   4          2HH1      ARG   4  -6.648  -0.869  -9.259
   28   HH21  ARG   4          1HH2      ARG   4  -9.101  -2.206  -7.097
   29   HH22  ARG   4          2HH2      ARG   4  -8.760  -1.696  -8.675
   30    H    CYS   5           H        CYS   5  -1.296  -2.695  -4.351
   31    HA   CYS   5           HA       CYS   5   0.273  -2.235  -1.951
   32    HB2  CYS   5           2HB      CYS   5   0.902  -3.985  -4.308
   33    HB3  CYS   5           1HB      CYS   5   1.827  -3.884  -2.813
   34    H    VAL   6           H        VAL   6   2.226  -1.276  -1.875
   35    HA   VAL   6           HA       VAL   6   3.237   0.026  -4.254
   36    HB   VAL   6           HB       VAL   6   1.752   1.702  -3.166
   37   HG11  VAL   6          1HG1      VAL   6   3.503   1.391  -0.745
   38   HG12  VAL   6          2HG1      VAL   6   1.803   0.950  -0.881
   39   HG13  VAL   6          3HG1      VAL   6   2.285   2.646  -0.965
   40   HG21  VAL   6          3HG2      VAL   6   4.690   2.352  -2.915
   41   HG22  VAL   6          1HG2      VAL   6   3.387   3.540  -2.943
   42   HG23  VAL   6          2HG2      VAL   6   3.689   2.536  -4.356
   43    H    CYS   7           H        CYS   7   5.492   0.218  -4.187
   44    HA   CYS   7           HA       CYS   7   6.662  -0.978  -1.810
   45    HB2  CYS   7           2HB      CYS   7   7.814  -1.005  -4.604
   46    HB3  CYS   7           1HB      CYS   7   8.474  -1.782  -3.164
   47    H    ARG   8           H        ARG   8   8.069  -0.018  -0.701
   48    HA   ARG   8           HA       ARG   8   9.109   2.562  -1.614
   49    HB2  ARG   8           2HB      ARG   8   7.143   3.032  -0.301
   50    HB3  ARG   8           1HB      ARG   8   7.666   1.940   0.959
   51    HG2  ARG   8           2HG      ARG   8   9.570   3.443   1.428
   52    HG3  ARG   8           1HG      ARG   8   8.943   4.567   0.219
   53    HD2  ARG   8           2HD      ARG   8   8.256   5.167   2.523
   54    HD3  ARG   8           1HD      ARG   8   6.881   4.819   1.468
   55    HE   ARG   8           HE       ARG   8   7.818   2.540   2.892
   56   HH11  ARG   8          1HH1      ARG   8   5.771   5.395   3.316
   57   HH12  ARG   8          2HH1      ARG   8   4.692   4.614   4.396
   58   HH21  ARG   8          1HH2      ARG   8   6.354   1.505   4.301
   59   HH22  ARG   8          2HH2      ARG   8   5.035   2.354   4.978
   60    H    ARG   9           H        ARG   9  11.195   2.364  -1.546
   61    HA   ARG   9           HA       ARG   9  13.321   2.061  -0.889
   62    HB2  ARG   9           2HB      ARG   9  12.376   3.307   1.123
   63    HB3  ARG   9           1HB      ARG   9  12.228   1.754   1.917
   64    HG2  ARG   9           2HG      ARG   9  14.659   1.459   1.773
   65    HG3  ARG   9           1HG      ARG   9  14.791   3.018   0.963
   66    HD2  ARG   9           2HD      ARG   9  13.811   4.113   2.945
   67    HD3  ARG   9           1HD      ARG   9  13.734   2.546   3.747
   68    HE   ARG   9           HE       ARG   9  16.341   3.023   2.861
   69   HH11  ARG   9          1HH1      ARG   9  14.112   4.105   5.395
   70   HH12  ARG   9          2HH1      ARG   9  15.362   4.542   6.479
   71   HH21  ARG   9          1HH2      ARG   9  18.030   3.662   4.369
   72   HH22  ARG   9          2HH2      ARG   9  17.599   4.297   5.885
   73    H    GLY  10           H        GLY  10  11.812  -0.163  -1.756
   74    HA2  GLY  10           2HA      GLY  10  12.471  -2.339  -2.230
   75    HA3  GLY  10           1HA      GLY  10  13.589  -2.280  -0.881
   76    H    VAL  11           H        VAL  11  10.754  -1.184   0.325
   77    HA   VAL  11           HA       VAL  11   9.965  -3.876   1.157
   78    HB   VAL  11           HB       VAL  11   9.565  -1.255   2.632
   79   HG11  VAL  11          1HG1      VAL  11   8.768  -2.627   4.507
   80   HG12  VAL  11          2HG1      VAL  11   8.935  -4.077   3.521
   81   HG13  VAL  11          3HG1      VAL  11   7.747  -2.848   3.083
   82   HG21  VAL  11          3HG2      VAL  11  11.877  -1.980   2.642
   83   HG22  VAL  11          1HG2      VAL  11  11.392  -3.566   3.239
   84   HG23  VAL  11          2HG2      VAL  11  11.172  -2.129   4.248
   85    H    CYS  12           H        CYS  12   8.079  -4.531   0.420
   86    HA   CYS  12           HA       CYS  12   6.310  -2.562  -0.777
   87    HB2  CYS  12           2HB      CYS  12   6.269  -5.572  -1.009
   88    HB3  CYS  12           1HB      CYS  12   5.189  -4.460  -1.848
   89    H    ARG  13           H        ARG  13   4.572  -1.895   0.088
   90    HA   ARG  13           HA       ARG  13   3.424  -3.440   2.295
   91    HB2  ARG  13           2HB      ARG  13   3.819  -0.451   2.084
   92    HB3  ARG  13           1HB      ARG  13   2.754  -1.207   3.257
   93    HG2  ARG  13           2HG      ARG  13   5.738  -1.596   3.070
   94    HG3  ARG  13           1HG      ARG  13   4.893  -0.597   4.256
   95    HD2  ARG  13           2HD      ARG  13   4.748  -3.598   3.933
   96    HD3  ARG  13           1HD      ARG  13   5.424  -2.697   5.286
   97    HE   ARG  13           HE       ARG  13   2.981  -1.805   5.392
   98   HH11  ARG  13          1HH1      ARG  13   4.109  -5.135   5.054
   99   HH12  ARG  13          2HH1      ARG  13   2.656  -5.843   5.568
  100   HH21  ARG  13          1HH2      ARG  13   0.933  -2.771   6.057
  101   HH22  ARG  13          2HH2      ARG  13   0.808  -4.467   6.155
  102    H    CYS  14           H        CYS  14   1.224  -3.647   2.202
  103    HA   CYS  14           HA       CYS  14   0.053  -2.250  -0.044
  104    HB2  CYS  14           2HB      CYS  14  -1.072  -4.673   1.302
  105    HB3  CYS  14           1HB      CYS  14  -1.595  -3.947  -0.207
  106    H    VAL  15           H        VAL  15  -1.352  -0.915   0.170
  107    HA   VAL  15           HA       VAL  15  -2.222  -0.165   2.874
  108    HB   VAL  15           HB       VAL  15  -2.173   1.514   0.339
  109   HG11  VAL  15          1HG1      VAL  15  -3.873   2.272   1.900
  110   HG12  VAL  15          2HG1      VAL  15  -2.546   3.430   1.813
  111   HG13  VAL  15          3HG1      VAL  15  -2.675   2.347   3.193
  112   HG21  VAL  15          3HG2      VAL  15  -0.268   1.547   2.684
  113   HG22  VAL  15          1HG2      VAL  15  -0.263   2.693   1.342
  114   HG23  VAL  15          2HG2      VAL  15   0.097   0.991   1.046
  115    H    CYS  16           H        CYS  16  -4.364  -0.190   3.295
  116    HA   CYS  16           HA       CYS  16  -6.003  -0.990   1.049
  117    HB2  CYS  16           2HB      CYS  16  -6.491  -1.583   3.963
  118    HB3  CYS  16           1HB      CYS  16  -7.442  -2.145   2.579
  119    H    ARG  17           H        ARG  17  -7.598   0.022   0.447
  120    HA   ARG  17           HA       ARG  17  -8.285   2.591   1.705
  121    HB2  ARG  17           2HB      ARG  17  -6.963   2.710  -0.358
  122    HB3  ARG  17           1HB      ARG  17  -8.140   1.704  -1.171
  123    HG2  ARG  17           2HG      ARG  17  -9.811   3.472  -0.908
  124    HG3  ARG  17           1HG      ARG  17  -8.589   4.478  -0.117
  125    HD2  ARG  17           2HD      ARG  17  -8.473   3.399  -2.929
  126    HD3  ARG  17           1HD      ARG  17  -8.735   5.084  -2.470
  127    HE   ARG  17           HE       ARG  17  -6.450   4.716  -1.306
  128   HH11  ARG  17          1HH1      ARG  17  -7.388   3.545  -4.509
  129   HH12  ARG  17          2HH1      ARG  17  -5.813   3.510  -5.138
  130   HH21  ARG  17          1HH2      ARG  17  -4.232   4.638  -2.172
  131   HH22  ARG  17          2HH2      ARG  17  -3.990   4.147  -3.774
  132    H    ARG  18           H        ARG  18 -10.183   1.953   2.750
  133    HA   ARG  18           HA       ARG  18 -12.353   1.402   3.032
  134    HB2  ARG  18           2HB      ARG  18 -12.574   3.185   1.300
  135    HB3  ARG  18           1HB      ARG  18 -12.512   1.964   0.055
  136    HG2  ARG  18           2HG      ARG  18 -14.628   1.063   0.778
  137    HG3  ARG  18           1HG      ARG  18 -14.674   2.159   2.157
  138    HD2  ARG  18           2HD      ARG  18 -14.673   2.972  -0.750
  139    HD3  ARG  18           1HD      ARG  18 -16.075   2.969   0.323
  140    HE   ARG  18           HE       ARG  18 -14.111   4.514   1.523
  141   HH11  ARG  18          1HH1      ARG  18 -16.121   4.663  -1.372
  142   HH12  ARG  18          2HH1      ARG  18 -16.161   6.360  -1.441
  143   HH21  ARG  18          1HH2      ARG  18 -14.161   6.840   1.446
  144   HH22  ARG  18          2HH2      ARG  18 -15.025   7.636   0.206
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -11.158  -2.684   0.724
    2    HA2  GLY   1           2HA      GLY   1 -11.132  -4.994   0.161
    3    HA3  GLY   1           1HA      GLY   1 -12.404  -4.693  -1.018
    4    H    VAL   2           H        VAL   2 -10.779  -2.191  -1.752
    5    HA   VAL   2           HA       VAL   2  -9.255  -3.508  -3.841
    6    HB   VAL   2           HB       VAL   2  -9.823  -0.559  -3.340
    7   HG11  VAL   2          1HG1      VAL   2  -8.732  -1.920  -5.801
    8   HG12  VAL   2          2HG1      VAL   2  -7.811  -0.906  -4.692
    9   HG13  VAL   2          3HG1      VAL   2  -9.119  -0.206  -5.649
   10   HG21  VAL   2          3HG2      VAL   2 -11.874  -1.795  -3.789
   11   HG22  VAL   2          1HG2      VAL   2 -11.143  -2.498  -5.231
   12   HG23  VAL   2          2HG2      VAL   2 -11.462  -0.769  -5.165
   13    H    CYS   3           H        CYS   3  -7.134  -3.881  -3.541
   14    HA   CYS   3           HA       CYS   3  -5.840  -2.317  -1.455
   15    HB2  CYS   3           2HB      CYS   3  -5.242  -5.117  -2.395
   16    HB3  CYS   3           1HB      CYS   3  -4.259  -4.237  -1.235
   17    H    ARG   4           H        ARG   4  -4.084  -1.168  -1.897
   18    HA   ARG   4           HA       ARG   4  -2.772  -1.542  -4.506
   19    HB2  ARG   4           2HB      ARG   4  -3.137   0.998  -2.899
   20    HB3  ARG   4           1HB      ARG   4  -2.169   0.872  -4.361
   21    HG2  ARG   4           2HG      ARG   4  -4.164   0.268  -5.630
   22    HG3  ARG   4           1HG      ARG   4  -5.133   0.395  -4.163
   23    HD2  ARG   4           2HD      ARG   4  -4.580   2.758  -3.984
   24    HD3  ARG   4           1HD      ARG   4  -3.552   2.642  -5.414
   25    HE   ARG   4           HE       ARG   4  -6.226   1.766  -5.879
   26   HH11  ARG   4          1HH1      ARG   4  -4.191   4.653  -5.748
   27   HH12  ARG   4          2HH1      ARG   4  -5.134   5.554  -6.834
   28   HH21  ARG   4          1HH2      ARG   4  -7.569   3.008  -7.321
   29   HH22  ARG   4          2HH2      ARG   4  -7.151   4.590  -7.740
   30    H    CYS   5           H        CYS   5  -0.652  -2.088  -4.385
   31    HA   CYS   5           HA       CYS   5   0.579  -1.921  -1.732
   32    HB2  CYS   5           2HB      CYS   5   1.231  -3.834  -3.945
   33    HB3  CYS   5           1HB      CYS   5   1.878  -3.852  -2.318
   34    H    VAL   6           H        VAL   6   2.459  -1.028  -1.495
   35    HA   VAL   6           HA       VAL   6   4.016  -0.253  -3.845
   36    HB   VAL   6           HB       VAL   6   3.543   1.651  -1.509
   37   HG11  VAL   6          1HG1      VAL   6   4.843   2.100  -4.189
   38   HG12  VAL   6          2HG1      VAL   6   5.667   1.956  -2.635
   39   HG13  VAL   6          3HG1      VAL   6   4.598   3.329  -2.947
   40   HG21  VAL   6          3HG2      VAL   6   2.297   1.807  -4.260
   41   HG22  VAL   6          1HG2      VAL   6   2.181   3.047  -3.012
   42   HG23  VAL   6          2HG2      VAL   6   1.446   1.461  -2.759
   43    H    CYS   7           H        CYS   7   6.226  -0.437  -3.456
   44    HA   CYS   7           HA       CYS   7   6.874  -1.518  -0.827
   45    HB2  CYS   7           2HB      CYS   7   8.384  -1.850  -3.427
   46    HB3  CYS   7           1HB      CYS   7   8.785  -2.596  -1.883
   47    H    ARG   8           H        ARG   8   8.346  -0.672   0.418
   48    HA   ARG   8           HA       ARG   8   9.883   1.614  -0.580
   49    HB2  ARG   8           2HB      ARG   8   7.883   2.449   0.602
   50    HB3  ARG   8           1HB      ARG   8   8.356   1.529   2.020
   51    HG2  ARG   8           2HG      ARG   8   8.946   3.836   2.331
   52    HG3  ARG   8           1HG      ARG   8  10.412   2.867   2.183
   53    HD2  ARG   8           2HD      ARG   8  10.630   3.566  -0.168
   54    HD3  ARG   8           1HD      ARG   8   9.159   4.527  -0.014
   55    HE   ARG   8           HE       ARG   8  11.081   5.204   1.950
   56   HH11  ARG   8          1HH1      ARG   8  10.368   5.701  -1.469
   57   HH12  ARG   8          2HH1      ARG   8  11.110   7.229  -1.590
   58   HH21  ARG   8          1HH2      ARG   8  12.070   7.320   1.845
   59   HH22  ARG   8          2HH2      ARG   8  12.108   8.204   0.398
   60    H    ARG   9           H        ARG   9  11.912   0.970  -0.394
   61    HA   ARG   9           HA       ARG   9  13.892   0.311   0.479
   62    HB2  ARG   9           2HB      ARG   9  13.279   2.071   2.110
   63    HB3  ARG   9           1HB      ARG   9  12.473   0.876   3.096
   64    HG2  ARG   9           2HG      ARG   9  14.543   1.450   4.128
   65    HG3  ARG   9           1HG      ARG   9  14.693  -0.185   3.501
   66    HD2  ARG   9           2HD      ARG   9  15.704   2.265   2.067
   67    HD3  ARG   9           1HD      ARG   9  16.683   1.314   3.176
   68    HE   ARG   9           HE       ARG   9  15.651   0.434   0.571
   69   HH11  ARG   9          1HH1      ARG   9  17.982   0.069   3.230
   70   HH12  ARG   9          2HH1      ARG   9  18.813  -1.207   2.481
   71   HH21  ARG   9          1HH2      ARG   9  16.844  -1.289  -0.440
   72   HH22  ARG   9          2HH2      ARG   9  18.162  -1.995   0.361
   73    H    GLY  10           H        GLY  10  12.067  -1.744  -0.190
   74    HA2  GLY  10           2HA      GLY  10  12.400  -4.060  -0.152
   75    HA3  GLY  10           1HA      GLY  10  13.210  -3.902   1.398
   76    H    VAL  11           H        VAL  11  10.686  -2.138   2.082
   77    HA   VAL  11           HA       VAL  11   9.162  -4.416   3.092
   78    HB   VAL  11           HB       VAL  11   8.922  -1.466   3.778
   79   HG11  VAL  11          1HG1      VAL  11   7.665  -3.869   5.108
   80   HG12  VAL  11          2HG1      VAL  11   6.825  -2.663   4.137
   81   HG13  VAL  11          3HG1      VAL  11   7.553  -2.204   5.677
   82   HG21  VAL  11          3HG2      VAL  11  11.050  -2.396   4.520
   83   HG22  VAL  11          1HG2      VAL  11  10.199  -3.708   5.334
   84   HG23  VAL  11          2HG2      VAL  11  10.002  -2.047   5.898
   85    H    CYS  12           H        CYS  12   7.504  -5.046   1.846
   86    HA   CYS  12           HA       CYS  12   6.231  -3.003   0.247
   87    HB2  CYS  12           2HB      CYS  12   5.965  -6.006   0.149
   88    HB3  CYS  12           1HB      CYS  12   5.074  -4.901  -0.899
   89    H    ARG  13           H        ARG  13   4.356  -2.161   0.715
   90    HA   ARG  13           HA       ARG  13   2.799  -3.387   2.864
   91    HB2  ARG  13           2HB      ARG  13   4.142  -1.593   3.791
   92    HB3  ARG  13           1HB      ARG  13   3.645  -0.508   2.508
   93    HG2  ARG  13           2HG      ARG  13   1.381  -0.508   3.369
   94    HG3  ARG  13           1HG      ARG  13   1.855  -1.660   4.624
   95    HD2  ARG  13           2HD      ARG  13   1.754   0.702   5.419
   96    HD3  ARG  13           1HD      ARG  13   3.325  -0.056   5.626
   97    HE   ARG  13           HE       ARG  13   4.225   1.357   4.065
   98   HH11  ARG  13          1HH1      ARG  13   0.704   1.829   4.066
   99   HH12  ARG  13          2HH1      ARG  13   0.799   3.345   3.283
  100   HH21  ARG  13          1HH2      ARG  13   4.313   3.408   3.009
  101   HH22  ARG  13          2HH2      ARG  13   2.863   4.243   2.658
  102    H    CYS  14           H        CYS  14   0.586  -3.372   2.496
  103    HA   CYS  14           HA       CYS  14  -0.261  -2.019   0.039
  104    HB2  CYS  14           2HB      CYS  14  -1.569  -4.389   1.324
  105    HB3  CYS  14           1HB      CYS  14  -1.955  -3.681  -0.226
  106    H    VAL  15           H        VAL  15  -1.761  -0.663   0.094
  107    HA   VAL  15           HA       VAL  15  -3.110  -0.028   2.626
  108    HB   VAL  15           HB       VAL  15  -3.024   1.588   0.050
  109   HG11  VAL  15          1HG1      VAL  15  -4.929   2.126   1.450
  110   HG12  VAL  15          2HG1      VAL  15  -3.778   3.462   1.449
  111   HG13  VAL  15          3HG1      VAL  15  -3.868   2.378   2.835
  112   HG21  VAL  15          3HG2      VAL  15  -1.373   3.040   1.124
  113   HG22  VAL  15          1HG2      VAL  15  -0.762   1.394   0.967
  114   HG23  VAL  15          2HG2      VAL  15  -1.341   1.978   2.529
  115    H    CYS  16           H        CYS  16  -5.123  -0.890   2.774
  116    HA   CYS  16           HA       CYS  16  -6.425  -1.496   0.253
  117    HB2  CYS  16           2HB      CYS  16  -6.795  -2.797   2.953
  118    HB3  CYS  16           1HB      CYS  16  -7.744  -3.166   1.513
  119    H    ARG  17           H        ARG  17  -8.305  -0.745  -0.219
  120    HA   ARG  17           HA       ARG  17  -9.832   0.676   1.815
  121    HB2  ARG  17           2HB      ARG  17  -8.535   2.398   0.654
  122    HB3  ARG  17           1HB      ARG  17  -9.110   1.797  -0.889
  123    HG2  ARG  17           2HG      ARG  17 -11.314   2.532  -0.486
  124    HG3  ARG  17           1HG      ARG  17 -10.985   2.836   1.215
  125    HD2  ARG  17           2HD      ARG  17  -9.686   4.306  -1.070
  126    HD3  ARG  17           1HD      ARG  17 -11.057   4.909  -0.143
  127    HE   ARG  17           HE       ARG  17  -9.155   4.300   1.722
  128   HH11  ARG  17          1HH1      ARG  17  -9.173   6.407  -1.121
  129   HH12  ARG  17          2HH1      ARG  17  -8.125   7.559  -0.451
  130   HH21  ARG  17          1HH2      ARG  17  -7.726   5.917   2.664
  131   HH22  ARG  17          2HH2      ARG  17  -7.333   7.296   1.750
  132    H    ARG  18           H        ARG  18 -11.581  -0.420   1.926
  133    HA   ARG  18           HA       ARG  18 -13.616  -1.239   1.452
  134    HB2  ARG  18           2HB      ARG  18 -13.704   0.967   0.216
  135    HB3  ARG  18           1HB      ARG  18 -13.360   0.087  -1.255
  136    HG2  ARG  18           2HG      ARG  18 -15.720   0.535  -1.095
  137    HG3  ARG  18           1HG      ARG  18 -15.452  -1.202  -0.910
  138    HD2  ARG  18           2HD      ARG  18 -17.091  -0.321   0.712
  139    HD3  ARG  18           1HD      ARG  18 -15.677  -1.016   1.498
  140    HE   ARG  18           HE       ARG  18 -15.238   1.711   1.144
  141   HH11  ARG  18          1HH1      ARG  18 -17.360  -0.398   3.073
  142   HH12  ARG  18          2HH1      ARG  18 -17.524   0.753   4.325
  143   HH21  ARG  18          1HH2      ARG  18 -15.465   3.214   2.925
  144   HH22  ARG  18          2HH2      ARG  18 -16.441   2.779   4.255
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -12.066  -1.833   0.583
    2    HA2  GLY   1           2HA      GLY   1 -12.271  -4.112   0.144
    3    HA3  GLY   1           1HA      GLY   1 -13.251  -3.726  -1.265
    4    H    VAL   2           H        VAL   2 -10.668  -1.775  -1.540
    5    HA   VAL   2           HA       VAL   2  -9.267  -3.739  -3.198
    6    HB   VAL   2           HB       VAL   2  -9.232  -0.719  -3.435
    7   HG11  VAL   2          1HG1      VAL   2  -8.178  -2.864  -5.280
    8   HG12  VAL   2          2HG1      VAL   2  -7.217  -1.758  -4.299
    9   HG13  VAL   2          3HG1      VAL   2  -8.196  -1.133  -5.627
   10   HG21  VAL   2          3HG2      VAL   2 -10.753  -2.729  -5.091
   11   HG22  VAL   2          1HG2      VAL   2 -10.615  -1.005  -5.423
   12   HG23  VAL   2          2HG2      VAL   2 -11.450  -1.558  -3.967
   13    H    CYS   3           H        CYS   3  -7.448  -4.374  -2.369
   14    HA   CYS   3           HA       CYS   3  -6.080  -2.623  -0.505
   15    HB2  CYS   3           2HB      CYS   3  -5.760  -5.593  -0.954
   16    HB3  CYS   3           1HB      CYS   3  -4.895  -4.632   0.242
   17    H    ARG   4           H        ARG   4  -4.408  -1.620  -1.171
   18    HA   ARG   4           HA       ARG   4  -2.921  -2.670  -3.489
   19    HB2  ARG   4           2HB      ARG   4  -3.902  -0.505  -4.045
   20    HB3  ARG   4           1HB      ARG   4  -3.261   0.200  -2.566
   21    HG2  ARG   4           2HG      ARG   4  -0.959  -0.206  -3.418
   22    HG3  ARG   4           1HG      ARG   4  -1.652  -0.794  -4.925
   23    HD2  ARG   4           2HD      ARG   4  -2.606   1.363  -5.386
   24    HD3  ARG   4           1HD      ARG   4  -2.118   1.967  -3.804
   25    HE   ARG   4           HE       ARG   4   0.170   1.057  -5.123
   26   HH11  ARG   4          1HH1      ARG   4  -2.197   3.635  -5.585
   27   HH12  ARG   4          2HH1      ARG   4  -1.080   4.759  -6.182
   28   HH21  ARG   4          1HH2      ARG   4   1.712   2.580  -5.962
   29   HH22  ARG   4          2HH2      ARG   4   1.196   4.130  -6.455
   30    H    CYS   5           H        CYS   5  -0.822  -3.129  -3.149
   31    HA   CYS   5           HA       CYS   5   0.247  -2.286  -0.581
   32    HB2  CYS   5           2HB      CYS   5   1.420  -4.328  -2.418
   33    HB3  CYS   5           1HB      CYS   5   1.851  -3.978  -0.753
   34    H    VAL   6           H        VAL   6   1.562  -0.902  -0.468
   35    HA   VAL   6           HA       VAL   6   2.654   0.348  -2.892
   36    HB   VAL   6           HB       VAL   6   2.468   1.496  -0.083
   37   HG11  VAL   6          1HG1      VAL   6   4.246   2.509  -1.390
   38   HG12  VAL   6          2HG1      VAL   6   2.918   3.657  -1.168
   39   HG13  VAL   6          3HG1      VAL   6   3.118   2.829  -2.707
   40   HG21  VAL   6          3HG2      VAL   6   0.689   2.038  -2.464
   41   HG22  VAL   6          1HG2      VAL   6   0.603   2.859  -0.906
   42   HG23  VAL   6          2HG2      VAL   6   0.233   1.139  -1.013
   43    H    CYS   7           H        CYS   7   4.762   0.078  -3.255
   44    HA   CYS   7           HA       CYS   7   6.247  -1.090  -1.068
   45    HB2  CYS   7           2HB      CYS   7   6.856  -1.184  -4.020
   46    HB3  CYS   7           1HB      CYS   7   7.741  -2.019  -2.745
   47    H    ARG   8           H        ARG   8   8.004  -0.326  -0.316
   48    HA   ARG   8           HA       ARG   8   9.181   2.088  -1.438
   49    HB2  ARG   8           2HB      ARG   8   7.700   2.767   0.365
   50    HB3  ARG   8           1HB      ARG   8   8.392   1.553   1.427
   51    HG2  ARG   8           2HG      ARG   8  10.535   2.733   1.371
   52    HG3  ARG   8           1HG      ARG   8   9.833   3.938   0.299
   53    HD2  ARG   8           2HD      ARG   8   8.892   3.310   3.089
   54    HD3  ARG   8           1HD      ARG   8   9.878   4.694   2.635
   55    HE   ARG   8           HE       ARG   8   7.085   4.234   1.818
   56   HH11  ARG   8          1HH1      ARG   8   9.796   6.464   2.343
   57   HH12  ARG   8          2HH1      ARG   8   8.851   7.863   2.162
   58   HH21  ARG   8          1HH2      ARG   8   5.814   6.158   1.545
   59   HH22  ARG   8          2HH2      ARG   8   6.540   7.698   1.666
   60    H    ARG   9           H        ARG   9  11.154   1.486  -1.920
   61    HA   ARG   9           HA       ARG   9  13.208   0.558  -1.949
   62    HB2  ARG   9           2HB      ARG   9  13.302   2.089   0.069
   63    HB3  ARG   9           1HB      ARG   9  13.008   0.683   1.070
   64    HG2  ARG   9           2HG      ARG   9  15.371   1.251   1.070
   65    HG3  ARG   9           1HG      ARG   9  15.117  -0.307   0.290
   66    HD2  ARG   9           2HD      ARG   9  15.339   0.677  -1.885
   67    HD3  ARG   9           1HD      ARG   9  15.408   2.300  -1.213
   68    HE   ARG   9           HE       ARG   9  17.426   0.245  -0.664
   69   HH11  ARG   9          1HH1      ARG   9  16.617   3.588  -1.549
   70   HH12  ARG   9          2HH1      ARG   9  18.228   4.095  -1.703
   71   HH21  ARG   9          1HH2      ARG   9  19.657   0.956  -0.848
   72   HH22  ARG   9          2HH2      ARG   9  20.016   2.568  -1.258
   73    H    GLY  10           H        GLY  10  11.107  -1.292  -2.118
   74    HA2  GLY  10           2HA      GLY  10  11.205  -3.604  -2.489
   75    HA3  GLY  10           1HA      GLY  10  12.609  -3.679  -1.435
   76    H    VAL  11           H        VAL  11  10.427  -1.963   0.294
   77    HA   VAL  11           HA       VAL  11   9.333  -4.384   1.572
   78    HB   VAL  11           HB       VAL  11   9.630  -1.588   2.735
   79   HG11  VAL  11          1HG1      VAL  11   9.175  -2.670   4.896
   80   HG12  VAL  11          2HG1      VAL  11   8.897  -4.197   4.064
   81   HG13  VAL  11          3HG1      VAL  11   7.824  -2.830   3.776
   82   HG21  VAL  11          3HG2      VAL  11  11.476  -2.488   4.080
   83   HG22  VAL  11          1HG2      VAL  11  11.828  -2.579   2.353
   84   HG23  VAL  11          2HG2      VAL  11  11.340  -4.028   3.234
   85    H    CYS  12           H        CYS  12   7.100  -4.619   1.536
   86    HA   CYS  12           HA       CYS  12   5.711  -2.343   0.341
   87    HB2  CYS  12           2HB      CYS  12   5.018  -5.259   0.026
   88    HB3  CYS  12           1HB      CYS  12   4.220  -3.901  -0.762
   89    H    ARG  13           H        ARG  13   4.111  -1.465   1.294
   90    HA   ARG  13           HA       ARG  13   2.990  -2.691   3.731
   91    HB2  ARG  13           2HB      ARG  13   4.010  -0.469   4.032
   92    HB3  ARG  13           1HB      ARG  13   3.006   0.182   2.746
   93    HG2  ARG  13           2HG      ARG  13   2.098   0.875   4.846
   94    HG3  ARG  13           1HG      ARG  13   1.004  -0.309   4.138
   95    HD2  ARG  13           2HD      ARG  13   2.030  -2.054   5.565
   96    HD3  ARG  13           1HD      ARG  13   3.031  -0.805   6.308
   97    HE   ARG  13           HE       ARG  13   0.146  -0.430   6.385
   98   HH11  ARG  13          1HH1      ARG  13   3.086  -1.314   8.159
   99   HH12  ARG  13          2HH1      ARG  13   2.340  -1.245   9.686
  100   HH21  ARG  13          1HH2      ARG  13  -0.855  -0.294   8.494
  101   HH22  ARG  13          2HH2      ARG  13   0.065  -0.635   9.878
  102    H    CYS  14           H        CYS  14   0.857  -3.390   3.602
  103    HA   CYS  14           HA       CYS  14  -0.543  -2.599   1.163
  104    HB2  CYS  14           2HB      CYS  14  -1.236  -4.860   2.981
  105    HB3  CYS  14           1HB      CYS  14  -1.918  -4.521   1.407
  106    H    VAL  15           H        VAL  15  -2.151  -1.476   1.133
  107    HA   VAL  15           HA       VAL  15  -3.490  -0.670   3.641
  108    HB   VAL  15           HB       VAL  15  -3.010   1.061   1.184
  109   HG11  VAL  15          1HG1      VAL  15  -3.827   2.918   2.572
  110   HG12  VAL  15          2HG1      VAL  15  -4.176   1.774   3.869
  111   HG13  VAL  15          3HG1      VAL  15  -5.050   1.668   2.343
  112   HG21  VAL  15          3HG2      VAL  15  -0.912   0.687   2.370
  113   HG22  VAL  15          1HG2      VAL  15  -1.657   1.205   3.882
  114   HG23  VAL  15          2HG2      VAL  15  -1.444   2.360   2.566
  115    H    CYS  16           H        CYS  16  -5.728  -0.759   3.558
  116    HA   CYS  16           HA       CYS  16  -6.798  -1.582   0.973
  117    HB2  CYS  16           2HB      CYS  16  -7.803  -2.390   3.702
  118    HB3  CYS  16           1HB      CYS  16  -8.517  -2.828   2.152
  119    H    ARG  17           H        ARG  17  -8.392  -0.563   0.124
  120    HA   ARG  17           HA       ARG  17  -9.996   1.246   1.740
  121    HB2  ARG  17           2HB      ARG  17  -8.102   2.594   0.912
  122    HB3  ARG  17           1HB      ARG  17  -8.485   2.122  -0.732
  123    HG2  ARG  17           2HG      ARG  17 -10.564   3.324  -0.657
  124    HG3  ARG  17           1HG      ARG  17 -10.338   3.684   1.055
  125    HD2  ARG  17           2HD      ARG  17  -9.739   5.625  -0.265
  126    HD3  ARG  17           1HD      ARG  17  -8.304   4.967   0.505
  127    HE   ARG  17           HE       ARG  17  -9.016   4.523  -2.310
  128   HH11  ARG  17          1HH1      ARG  17  -6.514   4.997   0.181
  129   HH12  ARG  17          2HH1      ARG  17  -5.271   5.322  -0.914
  130   HH21  ARG  17          1HH2      ARG  17  -7.235   4.943  -3.845
  131   HH22  ARG  17          2HH2      ARG  17  -5.674   5.270  -3.250
  132    H    ARG  18           H        ARG  18 -11.985   0.706   1.335
  133    HA   ARG  18           HA       ARG  18 -13.939   0.235   0.326
  134    HB2  ARG  18           2HB      ARG  18 -13.308   2.298  -0.953
  135    HB3  ARG  18           1HB      ARG  18 -12.575   1.278  -2.165
  136    HG2  ARG  18           2HG      ARG  18 -14.791   2.157  -2.821
  137    HG3  ARG  18           1HG      ARG  18 -14.712   0.396  -2.808
  138    HD2  ARG  18           2HD      ARG  18 -16.793   1.329  -1.821
  139    HD3  ARG  18           1HD      ARG  18 -15.886   0.297  -0.718
  140    HE   ARG  18           HE       ARG  18 -15.061   2.919  -0.300
  141   HH11  ARG  18          1HH1      ARG  18 -17.995   0.987   0.098
  142   HH12  ARG  18          2HH1      ARG  18 -18.587   1.907   1.404
  143   HH21  ARG  18          1HH2      ARG  18 -15.889   4.186   1.499
  144   HH22  ARG  18          2HH2      ARG  18 -17.384   3.726   2.202
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1 -11.729  -2.827   1.143
    2    HA2  GLY   1           2HA      GLY   1 -11.892  -4.904   0.106
    3    HA3  GLY   1           1HA      GLY   1 -13.002  -4.203  -1.056
    4    H    VAL   2           H        VAL   2 -10.887  -1.967  -1.422
    5    HA   VAL   2           HA       VAL   2  -9.383  -3.502  -3.407
    6    HB   VAL   2           HB       VAL   2  -9.666  -0.491  -3.196
    7   HG11  VAL   2          1HG1      VAL   2  -7.693  -1.171  -4.419
    8   HG12  VAL   2          2HG1      VAL   2  -8.882  -0.498  -5.533
    9   HG13  VAL   2          3HG1      VAL   2  -8.661  -2.243  -5.431
   10   HG21  VAL   2          3HG2      VAL   2 -11.199  -2.409  -4.957
   11   HG22  VAL   2          1HG2      VAL   2 -11.284  -0.648  -5.042
   12   HG23  VAL   2          2HG2      VAL   2 -11.857  -1.490  -3.603
   13    H    CYS   3           H        CYS   3  -7.418  -4.092  -2.784
   14    HA   CYS   3           HA       CYS   3  -6.037  -2.365  -0.899
   15    HB2  CYS   3           2HB      CYS   3  -5.612  -5.297  -1.487
   16    HB3  CYS   3           1HB      CYS   3  -4.649  -4.350  -0.364
   17    H    ARG   4           H        ARG   4  -4.045  -1.593  -1.364
   18    HA   ARG   4           HA       ARG   4  -2.842  -2.426  -3.900
   19    HB2  ARG   4           2HB      ARG   4  -3.113   0.423  -2.940
   20    HB3  ARG   4           1HB      ARG   4  -2.148  -0.083  -4.312
   21    HG2  ARG   4           2HG      ARG   4  -4.192  -0.881  -5.427
   22    HG3  ARG   4           1HG      ARG   4  -5.142  -0.288  -4.064
   23    HD2  ARG   4           2HD      ARG   4  -3.366   1.354  -5.844
   24    HD3  ARG   4           1HD      ARG   4  -5.127   1.323  -5.901
   25    HE   ARG   4           HE       ARG   4  -4.847   2.074  -3.451
   26   HH11  ARG   4          1HH1      ARG   4  -2.778   3.089  -6.158
   27   HH12  ARG   4          2HH1      ARG   4  -2.491   4.642  -5.535
   28   HH21  ARG   4          1HH2      ARG   4  -4.401   4.198  -2.582
   29   HH22  ARG   4          2HH2      ARG   4  -3.416   5.291  -3.430
   30    H    CYS   5           H        CYS   5  -0.661  -2.635  -3.829
   31    HA   CYS   5           HA       CYS   5   0.496  -2.145  -1.210
   32    HB2  CYS   5           2HB      CYS   5   1.478  -3.965  -3.361
   33    HB3  CYS   5           1HB      CYS   5   2.202  -3.769  -1.784
   34    H    VAL   6           H        VAL   6   2.062  -0.962  -0.866
   35    HA   VAL   6           HA       VAL   6   3.291   0.570  -3.048
   36    HB   VAL   6           HB       VAL   6   3.140   1.192  -0.071
   37   HG11  VAL   6          1HG1      VAL   6   3.916   3.426  -0.673
   38   HG12  VAL   6          2HG1      VAL   6   4.018   2.938  -2.362
   39   HG13  VAL   6          3HG1      VAL   6   5.082   2.193  -1.169
   40   HG21  VAL   6          3HG2      VAL   6   1.504   2.927  -0.663
   41   HG22  VAL   6          1HG2      VAL   6   0.918   1.314  -1.060
   42   HG23  VAL   6          2HG2      VAL   6   1.522   2.369  -2.334
   43    H    CYS   7           H        CYS   7   5.279  -0.200  -3.490
   44    HA   CYS   7           HA       CYS   7   6.676  -1.568  -1.339
   45    HB2  CYS   7           2HB      CYS   7   7.069  -1.802  -4.318
   46    HB3  CYS   7           1HB      CYS   7   8.052  -2.602  -3.088
   47    H    ARG   8           H        ARG   8   8.445  -0.922  -0.580
   48    HA   ARG   8           HA       ARG   8   9.858   1.275  -1.871
   49    HB2  ARG   8           2HB      ARG   8   8.338   2.196  -0.193
   50    HB3  ARG   8           1HB      ARG   8   8.996   1.107   1.014
   51    HG2  ARG   8           2HG      ARG   8  11.165   2.229   0.817
   52    HG3  ARG   8           1HG      ARG   8  10.463   3.339  -0.366
   53    HD2  ARG   8           2HD      ARG   8   8.833   4.079   1.294
   54    HD3  ARG   8           1HD      ARG   8   9.526   2.967   2.467
   55    HE   ARG   8           HE       ARG   8  11.513   4.679   1.452
   56   HH11  ARG   8          1HH1      ARG   8   8.766   4.659   3.662
   57   HH12  ARG   8          2HH1      ARG   8   9.331   5.957   4.609
   58   HH21  ARG   8          1HH2      ARG   8  12.308   6.434   2.763
   59   HH22  ARG   8          2HH2      ARG   8  11.403   6.991   4.089
   60    H    ARG   9           H        ARG   9  11.636   0.135  -2.390
   61    HA   ARG   9           HA       ARG   9  13.602  -0.923  -2.227
   62    HB2  ARG   9           2HB      ARG   9  13.966   1.062  -0.740
   63    HB3  ARG   9           1HB      ARG   9  13.565   0.052   0.638
   64    HG2  ARG   9           2HG      ARG   9  15.518  -1.387   0.079
   65    HG3  ARG   9           1HG      ARG   9  15.928  -0.255  -1.214
   66    HD2  ARG   9           2HD      ARG   9  15.744   0.385   1.725
   67    HD3  ARG   9           1HD      ARG   9  17.230   0.216   0.792
   68    HE   ARG   9           HE       ARG   9  16.389   2.130  -0.546
   69   HH11  ARG   9          1HH1      ARG   9  15.351   1.756   2.844
   70   HH12  ARG   9          2HH1      ARG   9  15.133   3.405   3.124
   71   HH21  ARG   9          1HH2      ARG   9  16.041   4.409  -0.169
   72   HH22  ARG   9          2HH2      ARG   9  15.512   4.977   1.337
   73    H    GLY  10           H        GLY  10  11.539  -2.639  -2.017
   74    HA2  GLY  10           2HA      GLY  10  11.556  -4.970  -1.729
   75    HA3  GLY  10           1HA      GLY  10  12.742  -4.767  -0.447
   76    H    VAL  11           H        VAL  11  10.876  -2.589   0.660
   77    HA   VAL  11           HA       VAL  11   9.328  -4.481   2.234
   78    HB   VAL  11           HB       VAL  11   9.731  -1.501   2.647
   79   HG11  VAL  11          1HG1      VAL  11   8.894  -1.912   4.923
   80   HG12  VAL  11          2HG1      VAL  11   8.602  -3.600   4.508
   81   HG13  VAL  11          3HG1      VAL  11   7.689  -2.326   3.701
   82   HG21  VAL  11          3HG2      VAL  11  11.842  -2.694   2.856
   83   HG22  VAL  11          1HG2      VAL  11  11.111  -3.820   3.998
   84   HG23  VAL  11          2HG2      VAL  11  11.294  -2.121   4.431
   85    H    CYS  12           H        CYS  12   7.375  -4.911   1.497
   86    HA   CYS  12           HA       CYS  12   6.012  -2.776   0.075
   87    HB2  CYS  12           2HB      CYS  12   5.517  -5.752   0.009
   88    HB3  CYS  12           1HB      CYS  12   4.548  -4.558  -0.843
   89    H    ARG  13           H        ARG  13   4.505  -1.765   0.979
   90    HA   ARG  13           HA       ARG  13   3.172  -2.935   3.304
   91    HB2  ARG  13           2HB      ARG  13   4.675  -1.040   3.810
   92    HB3  ARG  13           1HB      ARG  13   3.801  -0.049   2.661
   93    HG2  ARG  13           2HG      ARG  13   1.878   0.001   4.051
   94    HG3  ARG  13           1HG      ARG  13   2.545  -1.249   5.113
   95    HD2  ARG  13           2HD      ARG  13   3.749   1.482   4.683
   96    HD3  ARG  13           1HD      ARG  13   2.774   1.009   6.080
   97    HE   ARG  13           HE       ARG  13   4.757  -0.855   5.941
   98   HH11  ARG  13          1HH1      ARG  13   4.780   2.664   6.235
   99   HH12  ARG  13          2HH1      ARG  13   6.191   2.720   7.185
  100   HH21  ARG  13          1HH2      ARG  13   6.685  -0.805   7.228
  101   HH22  ARG  13          2HH2      ARG  13   7.317   0.680   7.750
  102    H    CYS  14           H        CYS  14   1.030  -3.196   3.052
  103    HA   CYS  14           HA       CYS  14  -0.107  -2.019   0.631
  104    HB2  CYS  14           2HB      CYS  14  -1.061  -4.493   2.034
  105    HB3  CYS  14           1HB      CYS  14  -1.531  -3.920   0.438
  106    H    VAL  15           H        VAL  15  -1.867  -0.925   0.675
  107    HA   VAL  15           HA       VAL  15  -3.153  -0.458   3.283
  108    HB   VAL  15           HB       VAL  15  -2.885   1.521   0.988
  109   HG11  VAL  15          1HG1      VAL  15  -3.910   1.911   3.793
  110   HG12  VAL  15          2HG1      VAL  15  -4.879   1.885   2.319
  111   HG13  VAL  15          3HG1      VAL  15  -3.712   3.182   2.588
  112   HG21  VAL  15          3HG2      VAL  15  -1.381   1.465   3.606
  113   HG22  VAL  15          1HG2      VAL  15  -1.307   2.759   2.410
  114   HG23  VAL  15          2HG2      VAL  15  -0.697   1.153   2.012
  115    H    CYS  16           H        CYS  16  -5.395  -0.605   3.254
  116    HA   CYS  16           HA       CYS  16  -6.512  -1.308   0.659
  117    HB2  CYS  16           2HB      CYS  16  -7.363  -2.290   3.383
  118    HB3  CYS  16           1HB      CYS  16  -8.127  -2.699   1.855
  119    H    ARG  17           H        ARG  17  -8.419  -0.498   0.060
  120    HA   ARG  17           HA       ARG  17  -9.885   1.084   1.976
  121    HB2  ARG  17           2HB      ARG  17  -8.566   2.758   0.722
  122    HB3  ARG  17           1HB      ARG  17  -9.235   2.154  -0.792
  123    HG2  ARG  17           2HG      ARG  17 -11.432   2.856  -0.205
  124    HG3  ARG  17           1HG      ARG  17 -10.939   3.219   1.439
  125    HD2  ARG  17           2HD      ARG  17 -11.199   5.256   0.246
  126    HD3  ARG  17           1HD      ARG  17  -9.484   5.025   0.566
  127    HE   ARG  17           HE       ARG  17  -9.538   4.154  -1.880
  128   HH11  ARG  17          1HH1      ARG  17 -11.574   6.815  -0.623
  129   HH12  ARG  17          2HH1      ARG  17 -11.549   7.673  -2.095
  130   HH21  ARG  17          1HH2      ARG  17  -9.527   5.407  -3.886
  131   HH22  ARG  17          2HH2      ARG  17 -10.393   6.877  -3.952
  132    H    ARG  18           H        ARG  18 -11.581   0.056   2.171
  133    HA   ARG  18           HA       ARG  18 -13.430  -1.178   1.875
  134    HB2  ARG  18           2HB      ARG  18 -14.111   1.142   1.213
  135    HB3  ARG  18           1HB      ARG  18 -13.888   0.684  -0.469
  136    HG2  ARG  18           2HG      ARG  18 -15.637  -1.027  -0.228
  137    HG3  ARG  18           1HG      ARG  18 -15.844  -0.581   1.462
  138    HD2  ARG  18           2HD      ARG  18 -17.592   0.463   0.190
  139    HD3  ARG  18           1HD      ARG  18 -16.471   1.706   0.725
  140    HE   ARG  18           HE       ARG  18 -15.766   0.778  -1.840
  141   HH11  ARG  18          1HH1      ARG  18 -18.186   2.791  -0.226
  142   HH12  ARG  18          2HH1      ARG  18 -18.513   3.761  -1.582
  143   HH21  ARG  18          1HH2      ARG  18 -16.202   2.112  -3.737
  144   HH22  ARG  18          2HH2      ARG  18 -17.339   3.362  -3.637
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -12.209  -2.082   1.304
    2    HA2  GLY   1           2HA      GLY   1 -12.604  -4.334   0.740
    3    HA3  GLY   1           1HA      GLY   1 -13.694  -3.788  -0.523
    4    H    VAL   2           H        VAL   2 -11.046  -1.939  -0.932
    5    HA   VAL   2           HA       VAL   2  -9.948  -3.779  -2.937
    6    HB   VAL   2           HB       VAL   2  -9.756  -0.752  -2.858
    7   HG11  VAL   2          1HG1      VAL   2  -9.077  -2.708  -5.051
    8   HG12  VAL   2          2HG1      VAL   2  -7.932  -1.782  -4.081
    9   HG13  VAL   2          3HG1      VAL   2  -9.020  -0.951  -5.198
   10   HG21  VAL   2          3HG2      VAL   2 -12.083  -1.411  -3.206
   11   HG22  VAL   2          1HG2      VAL   2 -11.597  -2.473  -4.529
   12   HG23  VAL   2          2HG2      VAL   2 -11.408  -0.728  -4.686
   13    H    CYS   3           H        CYS   3  -7.854  -4.369  -2.716
   14    HA   CYS   3           HA       CYS   3  -6.386  -3.097  -0.562
   15    HB2  CYS   3           2HB      CYS   3  -5.965  -5.793  -1.868
   16    HB3  CYS   3           1HB      CYS   3  -4.978  -5.135  -0.566
   17    H    ARG   4           H        ARG   4  -4.529  -2.087  -0.895
   18    HA   ARG   4           HA       ARG   4  -3.397  -2.095  -3.602
   19    HB2  ARG   4           2HB      ARG   4  -4.699  -0.020  -3.151
   20    HB3  ARG   4           1HB      ARG   4  -3.683   0.285  -1.749
   21    HG2  ARG   4           2HG      ARG   4  -1.718   0.402  -3.262
   22    HG3  ARG   4           1HG      ARG   4  -2.815   0.249  -4.633
   23    HD2  ARG   4           2HD      ARG   4  -2.796   2.464  -2.583
   24    HD3  ARG   4           1HD      ARG   4  -2.250   2.584  -4.256
   25    HE   ARG   4           HE       ARG   4  -4.953   1.721  -4.067
   26   HH11  ARG   4          1HH1      ARG   4  -2.930   4.631  -4.030
   27   HH12  ARG   4          2HH1      ARG   4  -4.191   5.682  -4.467
   28   HH21  ARG   4          1HH2      ARG   4  -6.657   3.126  -4.650
   29   HH22  ARG   4          2HH2      ARG   4  -6.405   4.798  -4.831
   30    H    CYS   5           H        CYS   5  -1.167  -2.260  -3.610
   31    HA   CYS   5           HA       CYS   5   0.060  -2.270  -0.965
   32    HB2  CYS   5           2HB      CYS   5   1.072  -3.647  -3.416
   33    HB3  CYS   5           1HB      CYS   5   1.779  -3.738  -1.816
   34    H    VAL   6           H        VAL   6   1.518  -1.025  -0.477
   35    HA   VAL   6           HA       VAL   6   2.499   0.897  -2.471
   36    HB   VAL   6           HB       VAL   6   2.522   1.157   0.556
   37   HG11  VAL   6          1HG1      VAL   6   4.201   2.509  -0.548
   38   HG12  VAL   6          2HG1      VAL   6   2.932   3.528   0.136
   39   HG13  VAL   6          3HG1      VAL   6   2.972   3.211  -1.601
   40   HG21  VAL   6          3HG2      VAL   6   0.556   2.348  -1.403
   41   HG22  VAL   6          1HG2      VAL   6   0.628   2.709   0.322
   42   HG23  VAL   6          2HG2      VAL   6   0.210   1.083  -0.228
   43    H    CYS   7           H        CYS   7   4.541   0.517  -3.084
   44    HA   CYS   7           HA       CYS   7   6.193  -1.014  -1.242
   45    HB2  CYS   7           2HB      CYS   7   6.352  -0.916  -4.252
   46    HB3  CYS   7           1HB      CYS   7   7.471  -1.768  -3.186
   47    H    ARG   8           H        ARG   8   7.982  -0.276  -0.566
   48    HA   ARG   8           HA       ARG   8   9.247   1.975  -1.909
   49    HB2  ARG   8           2HB      ARG   8   7.865   3.054  -0.228
   50    HB3  ARG   8           1HB      ARG   8   8.473   1.975   1.016
   51    HG2  ARG   8           2HG      ARG   8   9.502   4.162   1.197
   52    HG3  ARG   8           1HG      ARG   8  10.704   2.948   0.764
   53    HD2  ARG   8           2HD      ARG   8  10.446   3.657  -1.619
   54    HD3  ARG   8           1HD      ARG   8   9.388   4.953  -1.069
   55    HE   ARG   8           HE       ARG   8  11.801   5.022   0.346
   56   HH11  ARG   8          1HH1      ARG   8  10.490   5.777  -2.861
   57   HH12  ARG   8          2HH1      ARG   8  11.688   6.935  -3.229
   58   HH21  ARG   8          1HH2      ARG   8  13.479   6.600  -0.221
   59   HH22  ARG   8          2HH2      ARG   8  13.417   7.378  -1.728
   60    H    ARG   9           H        ARG   9  11.192   1.331  -2.313
   61    HA   ARG   9           HA       ARG   9  13.255   0.471  -2.202
   62    HB2  ARG   9           2HB      ARG   9  13.302   2.083  -0.239
   63    HB3  ARG   9           1HB      ARG   9  12.971   0.712   0.808
   64    HG2  ARG   9           2HG      ARG   9  15.067  -0.314   0.180
   65    HG3  ARG   9           1HG      ARG   9  15.385   0.983  -0.972
   66    HD2  ARG   9           2HD      ARG   9  16.644   1.363   1.047
   67    HD3  ARG   9           1HD      ARG   9  15.391   2.592   0.894
   68    HE   ARG   9           HE       ARG   9  14.656   0.302   2.482
   69   HH11  ARG   9          1HH1      ARG   9  16.125   3.524   2.571
   70   HH12  ARG   9          2HH1      ARG   9  15.827   3.765   4.223
   71   HH21  ARG   9          1HH2      ARG   9  14.278   0.622   4.731
   72   HH22  ARG   9          2HH2      ARG   9  14.775   2.066   5.495
   73    H    GLY  10           H        GLY  10  11.091  -1.293  -2.339
   74    HA2  GLY  10           2HA      GLY  10  11.132  -3.623  -2.642
   75    HA3  GLY  10           1HA      GLY  10  12.453  -3.716  -1.486
   76    H    VAL  11           H        VAL  11  10.715  -1.913   0.299
   77    HA   VAL  11           HA       VAL  11   9.415  -4.106   1.657
   78    HB   VAL  11           HB       VAL  11   9.590  -1.167   2.402
   79   HG11  VAL  11          1HG1      VAL  11   8.937  -1.907   4.658
   80   HG12  VAL  11          2HG1      VAL  11   8.709  -3.544   4.045
   81   HG13  VAL  11          3HG1      VAL  11   7.683  -2.239   3.464
   82   HG21  VAL  11          3HG2      VAL  11  11.198  -3.515   3.402
   83   HG22  VAL  11          1HG2      VAL  11  11.297  -1.859   3.997
   84   HG23  VAL  11          2HG2      VAL  11  11.784  -2.231   2.340
   85    H    CYS  12           H        CYS  12   7.474  -4.650   1.007
   86    HA   CYS  12           HA       CYS  12   5.801  -2.549  -0.066
   87    HB2  CYS  12           2HB      CYS  12   5.637  -5.538  -0.423
   88    HB3  CYS  12           1HB      CYS  12   4.411  -4.425  -1.021
   89    H    ARG  13           H        ARG  13   4.051  -1.924   0.956
   90    HA   ARG  13           HA       ARG  13   3.100  -3.499   3.262
   91    HB2  ARG  13           2HB      ARG  13   2.933  -0.492   2.886
   92    HB3  ARG  13           1HB      ARG  13   2.439  -1.392   4.307
   93    HG2  ARG  13           2HG      ARG  13   4.780  -2.009   4.715
   94    HG3  ARG  13           1HG      ARG  13   5.267  -1.077   3.302
   95    HD2  ARG  13           2HD      ARG  13   5.637   0.283   5.230
   96    HD3  ARG  13           1HD      ARG  13   4.230   0.931   4.389
   97    HE   ARG  13           HE       ARG  13   3.875  -0.916   6.625
   98   HH11  ARG  13          1HH1      ARG  13   3.307   2.319   5.254
   99   HH12  ARG  13          2HH1      ARG  13   2.402   2.839   6.600
  100   HH21  ARG  13          1HH2      ARG  13   2.653  -0.087   8.492
  101   HH22  ARG  13          2HH2      ARG  13   2.062   1.517   8.411
  102    H    CYS  14           H        CYS  14   1.167  -4.372   2.744
  103    HA   CYS  14           HA       CYS  14  -0.448  -2.983   0.771
  104    HB2  CYS  14           2HB      CYS  14  -0.851  -5.724   1.916
  105    HB3  CYS  14           1HB      CYS  14  -1.727  -5.025   0.565
  106    H    VAL  15           H        VAL  15  -2.267  -2.160   1.065
  107    HA   VAL  15           HA       VAL  15  -3.378  -1.994   3.795
  108    HB   VAL  15           HB       VAL  15  -3.177   0.221   1.719
  109   HG11  VAL  15          1HG1      VAL  15  -4.134   0.327   4.563
  110   HG12  VAL  15          2HG1      VAL  15  -5.133   0.456   3.115
  111   HG13  VAL  15          3HG1      VAL  15  -3.945   1.707   3.483
  112   HG21  VAL  15          3HG2      VAL  15  -0.975  -0.229   2.631
  113   HG22  VAL  15          1HG2      VAL  15  -1.608  -0.118   4.276
  114   HG23  VAL  15          2HG2      VAL  15  -1.586   1.311   3.246
  115    H    CYS  16           H        CYS  16  -5.632  -2.208   3.826
  116    HA   CYS  16           HA       CYS  16  -6.893  -2.409   1.194
  117    HB2  CYS  16           2HB      CYS  16  -7.618  -4.026   3.639
  118    HB3  CYS  16           1HB      CYS  16  -8.411  -4.035   2.060
  119    H    ARG  17           H        ARG  17  -8.540  -1.224   0.822
  120    HA   ARG  17           HA       ARG  17 -10.117  -0.250   3.028
  121    HB2  ARG  17           2HB      ARG  17  -9.835   2.088   2.634
  122    HB3  ARG  17           1HB      ARG  17  -8.241   1.393   2.791
  123    HG2  ARG  17           2HG      ARG  17  -7.936   1.456   0.380
  124    HG3  ARG  17           1HG      ARG  17  -9.561   2.107   0.176
  125    HD2  ARG  17           2HD      ARG  17  -8.865   4.031   1.639
  126    HD3  ARG  17           1HD      ARG  17  -7.221   3.404   1.551
  127    HE   ARG  17           HE       ARG  17  -8.406   3.757  -1.011
  128   HH11  ARG  17          1HH1      ARG  17  -6.771   5.492   1.586
  129   HH12  ARG  17          2HH1      ARG  17  -6.144   6.707   0.562
  130   HH21  ARG  17          1HH2      ARG  17  -7.666   5.458  -2.373
  131   HH22  ARG  17          2HH2      ARG  17  -6.720   6.725  -1.733
  132    H    ARG  18           H        ARG  18 -12.198   0.251   2.448
  133    HA   ARG  18           HA       ARG  18 -14.118   0.200   1.242
  134    HB2  ARG  18           2HB      ARG  18 -13.155   2.168   0.093
  135    HB3  ARG  18           1HB      ARG  18 -12.288   1.114  -1.005
  136    HG2  ARG  18           2HG      ARG  18 -14.461   0.337  -1.894
  137    HG3  ARG  18           1HG      ARG  18 -15.265   1.493  -0.836
  138    HD2  ARG  18           2HD      ARG  18 -14.291   3.320  -1.956
  139    HD3  ARG  18           1HD      ARG  18 -13.196   2.274  -2.867
  140    HE   ARG  18           HE       ARG  18 -15.509   1.330  -3.659
  141   HH11  ARG  18          1HH1      ARG  18 -14.612   4.727  -3.233
  142   HH12  ARG  18          2HH1      ARG  18 -15.596   5.302  -4.479
  143   HH21  ARG  18          1HH2      ARG  18 -16.823   2.079  -5.394
  144   HH22  ARG  18          2HH2      ARG  18 -16.897   3.729  -5.780
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1 -11.771  -2.350   0.725
    2    HA2  GLY   1           2HA      GLY   1 -12.331  -4.400  -0.280
    3    HA3  GLY   1           1HA      GLY   1 -13.214  -3.523  -1.508
    4    H    VAL   2           H        VAL   2 -10.482  -1.825  -1.566
    5    HA   VAL   2           HA       VAL   2  -9.211  -3.729  -3.416
    6    HB   VAL   2           HB       VAL   2  -9.159  -0.696  -3.579
    7   HG11  VAL   2          1HG1      VAL   2  -8.111  -1.037  -5.768
    8   HG12  VAL   2          2HG1      VAL   2  -8.120  -2.778  -5.495
    9   HG13  VAL   2          3HG1      VAL   2  -7.136  -1.734  -4.470
   10   HG21  VAL   2          3HG2      VAL   2 -10.568  -0.938  -5.571
   11   HG22  VAL   2          1HG2      VAL   2 -11.373  -1.568  -4.133
   12   HG23  VAL   2          2HG2      VAL   2 -10.654  -2.677  -5.301
   13    H    CYS   3           H        CYS   3  -7.237  -4.369  -2.822
   14    HA   CYS   3           HA       CYS   3  -5.811  -2.730  -0.860
   15    HB2  CYS   3           2HB      CYS   3  -5.574  -5.685  -1.419
   16    HB3  CYS   3           1HB      CYS   3  -4.611  -4.793  -0.251
   17    H    ARG   4           H        ARG   4  -4.130  -1.702  -1.497
   18    HA   ARG   4           HA       ARG   4  -2.674  -2.732  -3.847
   19    HB2  ARG   4           2HB      ARG   4  -2.927   0.122  -2.894
   20    HB3  ARG   4           1HB      ARG   4  -1.893  -0.406  -4.215
   21    HG2  ARG   4           2HG      ARG   4  -3.910  -1.148  -5.438
   22    HG3  ARG   4           1HG      ARG   4  -4.900  -0.499  -4.126
   23    HD2  ARG   4           2HD      ARG   4  -3.918   1.708  -4.492
   24    HD3  ARG   4           1HD      ARG   4  -2.948   1.055  -5.806
   25    HE   ARG   4           HE       ARG   4  -5.657   0.521  -6.268
   26   HH11  ARG   4          1HH1      ARG   4  -3.332   3.183  -6.342
   27   HH12  ARG   4          2HH1      ARG   4  -4.222   4.155  -7.416
   28   HH21  ARG   4          1HH2      ARG   4  -6.919   1.862  -7.771
   29   HH22  ARG   4          2HH2      ARG   4  -6.290   3.376  -8.240
   30    H    CYS   5           H        CYS   5  -0.476  -2.972  -3.649
   31    HA   CYS   5           HA       CYS   5   0.544  -2.332  -0.988
   32    HB2  CYS   5           2HB      CYS   5   1.571  -4.523  -2.743
   33    HB3  CYS   5           1HB      CYS   5   2.020  -4.161  -1.086
   34    H    VAL   6           H        VAL   6   2.017  -1.080  -0.856
   35    HA   VAL   6           HA       VAL   6   3.359  -0.110  -3.289
   36    HB   VAL   6           HB       VAL   6   3.025   1.365  -0.654
   37   HG11  VAL   6          1HG1      VAL   6   3.723   3.342  -1.934
   38   HG12  VAL   6          2HG1      VAL   6   3.972   2.327  -3.354
   39   HG13  VAL   6          3HG1      VAL   6   4.969   2.094  -1.917
   40   HG21  VAL   6          3HG2      VAL   6   1.348   2.754  -1.812
   41   HG22  VAL   6          1HG2      VAL   6   0.847   1.064  -1.714
   42   HG23  VAL   6          2HG2      VAL   6   1.478   1.713  -3.227
   43    H    CYS   7           H        CYS   7   5.498  -0.371  -3.396
   44    HA   CYS   7           HA       CYS   7   6.728  -1.488  -1.010
   45    HB2  CYS   7           2HB      CYS   7   7.518  -1.932  -3.888
   46    HB3  CYS   7           1HB      CYS   7   8.223  -2.705  -2.469
   47    H    ARG   8           H        ARG   8   8.423  -0.722  -0.184
   48    HA   ARG   8           HA       ARG   8   9.783   1.536  -1.470
   49    HB2  ARG   8           2HB      ARG   8   8.323   2.345   0.304
   50    HB3  ARG   8           1HB      ARG   8   8.991   1.165   1.420
   51    HG2  ARG   8           2HG      ARG   8  11.143   2.280   1.339
   52    HG3  ARG   8           1HG      ARG   8  10.501   3.456   0.187
   53    HD2  ARG   8           2HD      ARG   8   8.825   4.145   1.822
   54    HD3  ARG   8           1HD      ARG   8   9.474   2.987   2.976
   55    HE   ARG   8           HE       ARG   8  11.611   4.340   2.656
   56   HH11  ARG   8          1HH1      ARG   8   8.363   5.749   2.507
   57   HH12  ARG   8          2HH1      ARG   8   8.810   7.204   3.272
   58   HH21  ARG   8          1HH2      ARG   8  12.213   6.405   3.672
   59   HH22  ARG   8          2HH2      ARG   8  10.994   7.579   3.929
   60    H    ARG   9           H        ARG   9  11.658   0.682  -2.039
   61    HA   ARG   9           HA       ARG   9  13.613  -0.372  -2.047
   62    HB2  ARG   9           2HB      ARG   9  14.056   1.262  -0.224
   63    HB3  ARG   9           1HB      ARG   9  13.529   0.078   0.956
   64    HG2  ARG   9           2HG      ARG   9  15.425  -1.378   0.294
   65    HG3  ARG   9           1HG      ARG   9  15.938  -0.157  -0.865
   66    HD2  ARG   9           2HD      ARG   9  15.732   0.251   2.117
   67    HD3  ARG   9           1HD      ARG   9  17.224  -0.072   1.239
   68    HE   ARG   9           HE       ARG   9  16.330   2.076  -0.021
   69   HH11  ARG   9          1HH1      ARG   9  16.644   1.425   3.449
   70   HH12  ARG   9          2HH1      ARG   9  16.902   3.044   3.881
   71   HH21  ARG   9          1HH2      ARG   9  16.682   4.304   0.576
   72   HH22  ARG   9          2HH2      ARG   9  16.851   4.739   2.209
   73    H    GLY  10           H        GLY  10  11.425  -1.969  -2.138
   74    HA2  GLY  10           2HA      GLY  10  11.229  -4.286  -2.359
   75    HA3  GLY  10           1HA      GLY  10  12.596  -4.477  -1.274
   76    H    VAL  11           H        VAL  11  10.972  -2.491   0.528
   77    HA   VAL  11           HA       VAL  11   9.614  -4.611   1.984
   78    HB   VAL  11           HB       VAL  11   9.948  -1.685   2.718
   79   HG11  VAL  11          1HG1      VAL  11   9.232  -4.070   4.422
   80   HG12  VAL  11          2HG1      VAL  11   8.138  -2.777   3.933
   81   HG13  VAL  11          3HG1      VAL  11   9.488  -2.430   5.015
   82   HG21  VAL  11          3HG2      VAL  11  11.640  -4.042   3.535
   83   HG22  VAL  11          1HG2      VAL  11  11.809  -2.395   4.141
   84   HG23  VAL  11          2HG2      VAL  11  12.128  -2.743   2.443
   85    H    CYS  12           H        CYS  12   7.535  -4.968   1.560
   86    HA   CYS  12           HA       CYS  12   6.084  -2.812   0.254
   87    HB2  CYS  12           2HB      CYS  12   5.504  -5.771   0.272
   88    HB3  CYS  12           1HB      CYS  12   4.598  -4.552  -0.615
   89    H    ARG  13           H        ARG  13   4.489  -1.813   1.218
   90    HA   ARG  13           HA       ARG  13   3.181  -3.194   3.445
   91    HB2  ARG  13           2HB      ARG  13   2.560  -0.985   4.380
   92    HB3  ARG  13           1HB      ARG  13   4.301  -1.156   4.272
   93    HG2  ARG  13           2HG      ARG  13   4.394   0.317   2.385
   94    HG3  ARG  13           1HG      ARG  13   2.635   0.335   2.255
   95    HD2  ARG  13           2HD      ARG  13   3.426   2.386   3.320
   96    HD3  ARG  13           1HD      ARG  13   2.484   1.420   4.445
   97    HE   ARG  13           HE       ARG  13   5.346   1.052   4.540
   98   HH11  ARG  13          1HH1      ARG  13   2.591   2.842   5.880
   99   HH12  ARG  13          2HH1      ARG  13   3.358   3.217   7.353
  100   HH21  ARG  13          1HH2      ARG  13   6.404   1.610   6.569
  101   HH22  ARG  13          2HH2      ARG  13   5.561   2.512   7.748
  102    H    CYS  14           H        CYS  14   0.961  -3.311   3.394
  103    HA   CYS  14           HA       CYS  14  -0.155  -2.486   0.830
  104    HB2  CYS  14           2HB      CYS  14  -1.156  -4.689   2.619
  105    HB3  CYS  14           1HB      CYS  14  -1.767  -4.270   1.035
  106    H    VAL  15           H        VAL  15  -1.900  -1.388   0.671
  107    HA   VAL  15           HA       VAL  15  -3.152  -0.409   3.128
  108    HB   VAL  15           HB       VAL  15  -2.746   1.110   0.525
  109   HG11  VAL  15          1HG1      VAL  15  -3.617   3.059   1.735
  110   HG12  VAL  15          2HG1      VAL  15  -3.905   2.051   3.151
  111   HG13  VAL  15          3HG1      VAL  15  -4.800   1.753   1.662
  112   HG21  VAL  15          3HG2      VAL  15  -0.632   0.883   1.726
  113   HG22  VAL  15          1HG2      VAL  15  -1.378   1.513   3.192
  114   HG23  VAL  15          2HG2      VAL  15  -1.198   2.555   1.781
  115    H    CYS  16           H        CYS  16  -5.122  -1.195   3.212
  116    HA   CYS  16           HA       CYS  16  -6.460  -1.779   0.715
  117    HB2  CYS  16           2HB      CYS  16  -7.197  -2.648   3.514
  118    HB3  CYS  16           1HB      CYS  16  -8.070  -3.025   2.020
  119    H    ARG  17           H        ARG  17  -8.014  -0.695   0.007
  120    HA   ARG  17           HA       ARG  17  -9.359   1.230   1.719
  121    HB2  ARG  17           2HB      ARG  17  -7.671   2.497   0.529
  122    HB3  ARG  17           1HB      ARG  17  -8.160   1.790  -0.999
  123    HG2  ARG  17           2HG      ARG  17  -8.976   4.069  -0.801
  124    HG3  ARG  17           1HG      ARG  17 -10.318   2.925  -0.843
  125    HD2  ARG  17           2HD      ARG  17 -10.425   3.058   1.640
  126    HD3  ARG  17           1HD      ARG  17  -9.190   4.317   1.591
  127    HE   ARG  17           HE       ARG  17 -11.142   5.166  -0.103
  128   HH11  ARG  17          1HH1      ARG  17 -11.034   4.288   3.331
  129   HH12  ARG  17          2HH1      ARG  17 -12.315   5.300   3.791
  130   HH21  ARG  17          1HH2      ARG  17 -12.929   6.574   0.526
  131   HH22  ARG  17          2HH2      ARG  17 -13.417   6.624   2.158
  132    H    ARG  18           H        ARG  18 -11.245   0.327   1.818
  133    HA   ARG  18           HA       ARG  18 -13.314  -0.352   1.342
  134    HB2  ARG  18           2HB      ARG  18 -13.268   2.039   0.560
  135    HB3  ARG  18           1HB      ARG  18 -13.020   1.444  -1.071
  136    HG2  ARG  18           2HG      ARG  18 -15.179   0.342  -1.028
  137    HG3  ARG  18           1HG      ARG  18 -15.421   0.845   0.648
  138    HD2  ARG  18           2HD      ARG  18 -15.299   3.200  -0.076
  139    HD3  ARG  18           1HD      ARG  18 -15.138   2.649  -1.744
  140    HE   ARG  18           HE       ARG  18 -17.395   1.457  -0.765
  141   HH11  ARG  18          1HH1      ARG  18 -16.280   4.788  -1.342
  142   HH12  ARG  18          2HH1      ARG  18 -17.832   5.419  -1.559
  143   HH21  ARG  18          1HH2      ARG  18 -19.569   2.369  -1.074
  144   HH22  ARG  18          2HH2      ARG  18 -19.728   4.032  -1.405
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -12.033  -2.947   0.403
    2    HA2  GLY   1           2HA      GLY   1 -12.110  -4.995  -0.731
    3    HA3  GLY   1           1HA      GLY   1 -13.140  -4.263  -1.947
    4    H    VAL   2           H        VAL   2 -10.902  -2.011  -1.766
    5    HA   VAL   2           HA       VAL   2  -9.301  -3.290  -3.857
    6    HB   VAL   2           HB       VAL   2  -9.600  -0.339  -3.214
    7   HG11  VAL   2          1HG1      VAL   2  -8.290  -1.693  -5.570
    8   HG12  VAL   2          2HG1      VAL   2  -7.466  -0.824  -4.276
    9   HG13  VAL   2          3HG1      VAL   2  -8.523   0.045  -5.390
   10   HG21  VAL   2          3HG2      VAL   2 -10.954  -0.207  -5.274
   11   HG22  VAL   2          1HG2      VAL   2 -11.702  -1.235  -4.051
   12   HG23  VAL   2          2HG2      VAL   2 -10.868  -1.956  -5.428
   13    H    CYS   3           H        CYS   3  -7.291  -3.886  -3.327
   14    HA   CYS   3           HA       CYS   3  -6.147  -2.603  -1.004
   15    HB2  CYS   3           2HB      CYS   3  -5.690  -5.388  -2.095
   16    HB3  CYS   3           1HB      CYS   3  -4.677  -4.663  -0.859
   17    H    ARG   4           H        ARG   4  -4.405  -1.444  -1.301
   18    HA   ARG   4           HA       ARG   4  -2.967  -1.618  -3.845
   19    HB2  ARG   4           2HB      ARG   4  -4.203   0.474  -3.529
   20    HB3  ARG   4           1HB      ARG   4  -3.409   0.717  -1.986
   21    HG2  ARG   4           2HG      ARG   4  -1.270   0.985  -3.111
   22    HG3  ARG   4           1HG      ARG   4  -2.045   0.696  -4.674
   23    HD2  ARG   4           2HD      ARG   4  -3.446   2.647  -4.365
   24    HD3  ARG   4           1HD      ARG   4  -2.747   2.927  -2.776
   25    HE   ARG   4           HE       ARG   4  -0.620   2.929  -4.450
   26   HH11  ARG   4          1HH1      ARG   4  -3.686   4.700  -4.450
   27   HH12  ARG   4          2HH1      ARG   4  -3.028   6.145  -5.044
   28   HH21  ARG   4          1HH2      ARG   4   0.300   4.974  -5.297
   29   HH22  ARG   4          2HH2      ARG   4  -0.760   6.293  -5.548
   30    H    CYS   5           H        CYS   5  -1.097  -2.641  -3.513
   31    HA   CYS   5           HA       CYS   5   0.294  -2.220  -0.969
   32    HB2  CYS   5           2HB      CYS   5   0.839  -4.301  -3.081
   33    HB3  CYS   5           1HB      CYS   5   1.563  -4.209  -1.483
   34    H    VAL   6           H        VAL   6   2.273  -1.380  -0.923
   35    HA   VAL   6           HA       VAL   6   3.531  -0.635  -3.445
   36    HB   VAL   6           HB       VAL   6   2.244   1.338  -2.646
   37   HG11  VAL   6          1HG1      VAL   6   2.231   0.963  -0.282
   38   HG12  VAL   6          2HG1      VAL   6   2.925   2.545  -0.626
   39   HG13  VAL   6          3HG1      VAL   6   3.976   1.192  -0.200
   40   HG21  VAL   6          3HG2      VAL   6   5.237   1.691  -2.483
   41   HG22  VAL   6          1HG2      VAL   6   4.076   3.000  -2.702
   42   HG23  VAL   6          2HG2      VAL   6   4.249   1.759  -3.939
   43    H    CYS   7           H        CYS   7   5.796  -0.676  -3.366
   44    HA   CYS   7           HA       CYS   7   6.782  -1.775  -0.880
   45    HB2  CYS   7           2HB      CYS   7   7.999  -2.038  -3.630
   46    HB3  CYS   7           1HB      CYS   7   8.626  -2.716  -2.123
   47    H    ARG   8           H        ARG   8   8.142  -0.912   0.289
   48    HA   ARG   8           HA       ARG   8   9.489   1.535  -0.552
   49    HB2  ARG   8           2HB      ARG   8   7.658   2.065   0.944
   50    HB3  ARG   8           1HB      ARG   8   8.166   0.822   2.069
   51    HG2  ARG   8           2HG      ARG   8   8.727   3.043   2.897
   52    HG3  ARG   8           1HG      ARG   8  10.181   2.099   2.577
   53    HD2  ARG   8           2HD      ARG   8  10.593   3.279   0.562
   54    HD3  ARG   8           1HD      ARG   8   9.039   4.108   0.636
   55    HE   ARG   8           HE       ARG   8  10.219   4.798   2.946
   56   HH11  ARG   8          1HH1      ARG   8  11.410   4.901  -0.376
   57   HH12  ARG   8          2HH1      ARG   8  12.318   6.317  -0.184
   58   HH21  ARG   8          1HH2      ARG   8  11.397   6.780   3.239
   59   HH22  ARG   8          2HH2      ARG   8  12.310   7.432   1.970
   60    H    ARG   9           H        ARG   9  11.349   0.427  -1.057
   61    HA   ARG   9           HA       ARG   9  13.397  -0.404  -0.750
   62    HB2  ARG   9           2HB      ARG   9  13.489   1.639   0.648
   63    HB3  ARG   9           1HB      ARG   9  13.052   0.686   2.056
   64    HG2  ARG   9           2HG      ARG   9  15.445   1.157   2.004
   65    HG3  ARG   9           1HG      ARG   9  15.149  -0.575   1.833
   66    HD2  ARG   9           2HD      ARG   9  16.885   0.228   0.291
   67    HD3  ARG   9           1HD      ARG   9  15.488  -0.425  -0.561
   68    HE   ARG   9           HE       ARG   9  15.750   2.464  -0.131
   69   HH11  ARG   9          1HH1      ARG   9  15.486  -0.273  -2.389
   70   HH12  ARG   9          2HH1      ARG   9  15.332   0.710  -3.756
   71   HH21  ARG   9          1HH2      ARG   9  15.541   3.785  -2.033
   72   HH22  ARG   9          2HH2      ARG   9  15.370   3.063  -3.562
   73    H    GLY  10           H        GLY  10  11.713  -2.388  -0.744
   74    HA2  GLY  10           2HA      GLY  10  12.019  -4.681  -0.349
   75    HA3  GLY  10           1HA      GLY  10  12.939  -4.293   1.092
   76    H    VAL  11           H        VAL  11  10.629  -2.380   1.819
   77    HA   VAL  11           HA       VAL  11   9.057  -4.452   3.149
   78    HB   VAL  11           HB       VAL  11   9.116  -1.456   3.634
   79   HG11  VAL  11          1HG1      VAL  11   7.937  -3.676   5.305
   80   HG12  VAL  11          2HG1      VAL  11   7.036  -2.487   4.373
   81   HG13  VAL  11          3HG1      VAL  11   8.002  -1.975   5.757
   82   HG21  VAL  11          3HG2      VAL  11  10.517  -3.670   5.130
   83   HG22  VAL  11          1HG2      VAL  11  10.451  -1.981   5.640
   84   HG23  VAL  11          2HG2      VAL  11  11.279  -2.423   4.143
   85    H    CYS  12           H        CYS  12   7.294  -5.031   1.986
   86    HA   CYS  12           HA       CYS  12   5.978  -2.937   0.451
   87    HB2  CYS  12           2HB      CYS  12   5.578  -5.934   0.301
   88    HB3  CYS  12           1HB      CYS  12   4.859  -4.734  -0.763
   89    H    ARG  13           H        ARG  13   4.285  -2.052   1.116
   90    HA   ARG  13           HA       ARG  13   2.882  -3.349   3.342
   91    HB2  ARG  13           2HB      ARG  13   2.369  -1.129   4.241
   92    HB3  ARG  13           1HB      ARG  13   4.097  -1.372   4.101
   93    HG2  ARG  13           2HG      ARG  13   4.046  -0.009   2.003
   94    HG3  ARG  13           1HG      ARG  13   2.341   0.319   2.327
   95    HD2  ARG  13           2HD      ARG  13   3.006   1.229   4.548
   96    HD3  ARG  13           1HD      ARG  13   4.684   1.019   4.082
   97    HE   ARG  13           HE       ARG  13   2.917   2.714   2.473
   98   HH11  ARG  13          1HH1      ARG  13   5.887   2.377   4.372
   99   HH12  ARG  13          2HH1      ARG  13   6.299   4.021   4.282
  100   HH21  ARG  13          1HH2      ARG  13   3.530   5.034   2.357
  101   HH22  ARG  13          2HH2      ARG  13   4.980   5.515   3.097
  102    H    CYS  14           H        CYS  14   0.716  -3.516   3.267
  103    HA   CYS  14           HA       CYS  14  -0.525  -2.581   0.797
  104    HB2  CYS  14           2HB      CYS  14  -1.273  -4.908   2.510
  105    HB3  CYS  14           1HB      CYS  14  -2.112  -4.410   1.058
  106    H    VAL  15           H        VAL  15  -2.154  -1.427   0.852
  107    HA   VAL  15           HA       VAL  15  -3.491  -0.807   3.400
  108    HB   VAL  15           HB       VAL  15  -3.049   1.019   1.001
  109   HG11  VAL  15          1HG1      VAL  15  -4.358   1.608   3.656
  110   HG12  VAL  15          2HG1      VAL  15  -5.166   1.502   2.092
  111   HG13  VAL  15          3HG1      VAL  15  -4.013   2.796   2.398
  112   HG21  VAL  15          3HG2      VAL  15  -1.826   1.100   3.755
  113   HG22  VAL  15          1HG2      VAL  15  -1.607   2.331   2.512
  114   HG23  VAL  15          2HG2      VAL  15  -0.993   0.700   2.250
  115    H    CYS  16           H        CYS  16  -5.655  -1.228   3.351
  116    HA   CYS  16           HA       CYS  16  -6.791  -1.795   0.703
  117    HB2  CYS  16           2HB      CYS  16  -7.348  -3.260   3.278
  118    HB3  CYS  16           1HB      CYS  16  -8.214  -3.492   1.760
  119    H    ARG  17           H        ARG  17  -8.616  -0.928   0.202
  120    HA   ARG  17           HA       ARG  17 -10.356   0.095   2.284
  121    HB2  ARG  17           2HB      ARG  17  -8.922   2.018   1.813
  122    HB3  ARG  17           1HB      ARG  17  -9.312   1.914   0.106
  123    HG2  ARG  17           2HG      ARG  17 -11.604   2.481   0.525
  124    HG3  ARG  17           1HG      ARG  17 -11.344   2.433   2.270
  125    HD2  ARG  17           2HD      ARG  17 -10.056   4.351   0.331
  126    HD3  ARG  17           1HD      ARG  17 -11.402   4.725   1.414
  127    HE   ARG  17           HE       ARG  17  -8.765   3.884   2.415
  128   HH11  ARG  17          1HH1      ARG  17 -11.473   6.181   2.485
  129   HH12  ARG  17          2HH1      ARG  17 -10.819   7.096   3.757
  130   HH21  ARG  17          1HH2      ARG  17  -7.860   5.168   4.102
  131   HH22  ARG  17          2HH2      ARG  17  -8.716   6.534   4.674
  132    H    ARG  18           H        ARG  18 -12.244  -0.618   1.906
  133    HA   ARG  18           HA       ARG  18 -14.149  -1.309   0.990
  134    HB2  ARG  18           2HB      ARG  18 -14.150   1.148   0.377
  135    HB3  ARG  18           1HB      ARG  18 -13.593   0.680  -1.223
  136    HG2  ARG  18           2HG      ARG  18 -15.629  -0.690  -1.491
  137    HG3  ARG  18           1HG      ARG  18 -16.185  -0.106   0.077
  138    HD2  ARG  18           2HD      ARG  18 -16.169   2.182  -0.771
  139    HD3  ARG  18           1HD      ARG  18 -15.607   1.590  -2.336
  140    HE   ARG  18           HE       ARG  18 -18.091   0.542  -1.248
  141   HH11  ARG  18          1HH1      ARG  18 -16.496   2.542  -3.696
  142   HH12  ARG  18          2HH1      ARG  18 -17.873   2.673  -4.677
  143   HH21  ARG  18          1HH2      ARG  18 -19.964   0.718  -2.600
  144   HH22  ARG  18          2HH2      ARG  18 -19.898   1.599  -4.048
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -11.884  -3.688   0.223
    2    HA2  GLY   1           2HA      GLY   1 -11.706  -5.462  -1.295
    3    HA3  GLY   1           1HA      GLY   1 -12.779  -4.607  -2.381
    4    H    VAL   2           H        VAL   2 -10.962  -2.153  -1.881
    5    HA   VAL   2           HA       VAL   2  -9.145  -2.924  -4.015
    6    HB   VAL   2           HB       VAL   2  -9.907  -0.152  -3.057
    7   HG11  VAL   2          1HG1      VAL   2  -7.663  -0.219  -4.032
    8   HG12  VAL   2          2HG1      VAL   2  -8.783   0.631  -5.088
    9   HG13  VAL   2          3HG1      VAL   2  -8.303  -1.029  -5.462
   10   HG21  VAL   2          3HG2      VAL   2 -11.770  -1.296  -4.124
   11   HG22  VAL   2          1HG2      VAL   2 -10.756  -1.682  -5.511
   12   HG23  VAL   2          2HG2      VAL   2 -11.157  -0.005  -5.164
   13    H    CYS   3           H        CYS   3  -7.310  -3.645  -3.280
   14    HA   CYS   3           HA       CYS   3  -6.091  -2.299  -1.026
   15    HB2  CYS   3           2HB      CYS   3  -5.513  -4.973  -2.302
   16    HB3  CYS   3           1HB      CYS   3  -4.527  -4.263  -1.032
   17    H    ARG   4           H        ARG   4  -4.524  -0.955  -1.439
   18    HA   ARG   4           HA       ARG   4  -3.084  -1.319  -3.984
   19    HB2  ARG   4           2HB      ARG   4  -3.384   1.257  -2.414
   20    HB3  ARG   4           1HB      ARG   4  -2.426   1.068  -3.875
   21    HG2  ARG   4           2HG      ARG   4  -4.565   0.411  -5.047
   22    HG3  ARG   4           1HG      ARG   4  -5.415   0.929  -3.594
   23    HD2  ARG   4           2HD      ARG   4  -3.635   2.630  -5.342
   24    HD3  ARG   4           1HD      ARG   4  -5.386   2.731  -5.217
   25    HE   ARG   4           HE       ARG   4  -4.589   3.131  -2.686
   26   HH11  ARG   4          1HH1      ARG   4  -3.734   4.692  -5.749
   27   HH12  ARG   4          2HH1      ARG   4  -3.328   6.178  -5.040
   28   HH21  ARG   4          1HH2      ARG   4  -3.989   5.200  -1.699
   29   HH22  ARG   4          2HH2      ARG   4  -3.443   6.462  -2.697
   30    H    CYS   5           H        CYS   5  -1.144  -2.104  -3.800
   31    HA   CYS   5           HA       CYS   5   0.228  -1.797  -1.235
   32    HB2  CYS   5           2HB      CYS   5   0.626  -3.873  -3.373
   33    HB3  CYS   5           1HB      CYS   5   1.471  -3.797  -1.839
   34    H    VAL   6           H        VAL   6   2.222  -1.079  -1.172
   35    HA   VAL   6           HA       VAL   6   3.579  -0.428  -3.661
   36    HB   VAL   6           HB       VAL   6   2.419   1.623  -2.891
   37   HG11  VAL   6          1HG1      VAL   6   4.040   1.367  -0.369
   38   HG12  VAL   6          2HG1      VAL   6   2.289   1.207  -0.524
   39   HG13  VAL   6          3HG1      VAL   6   3.064   2.762  -0.827
   40   HG21  VAL   6          3HG2      VAL   6   5.419   1.748  -2.592
   41   HG22  VAL   6          1HG2      VAL   6   4.367   3.140  -2.858
   42   HG23  VAL   6          2HG2      VAL   6   4.506   1.887  -4.093
   43    H    CYS   7           H        CYS   7   5.764  -0.733  -3.558
   44    HA   CYS   7           HA       CYS   7   6.754  -1.713  -0.998
   45    HB2  CYS   7           2HB      CYS   7   7.561  -2.525  -3.786
   46    HB3  CYS   7           1HB      CYS   7   8.384  -3.037  -2.318
   47    H    ARG   8           H        ARG   8   8.621  -1.034  -0.228
   48    HA   ARG   8           HA       ARG   8  10.331   0.616  -1.899
   49    HB2  ARG   8           2HB      ARG   8   8.870   2.198  -0.648
   50    HB3  ARG   8           1HB      ARG   8   9.437   1.485   0.847
   51    HG2  ARG   8           2HG      ARG   8  11.661   2.260   0.486
   52    HG3  ARG   8           1HG      ARG   8  11.266   2.789  -1.147
   53    HD2  ARG   8           2HD      ARG   8  11.357   4.677   0.387
   54    HD3  ARG   8           1HD      ARG   8   9.731   4.447  -0.245
   55    HE   ARG   8           HE       ARG   8  10.345   3.216   2.290
   56   HH11  ARG   8          1HH1      ARG   8   8.767   5.917   0.586
   57   HH12  ARG   8          2HH1      ARG   8   7.928   6.469   1.958
   58   HH21  ARG   8          1HH2      ARG   8   9.147   3.975   4.139
   59   HH22  ARG   8          2HH2      ARG   8   8.131   5.329   4.019
   60    H    ARG   9           H        ARG   9  11.960  -0.709  -1.939
   61    HA   ARG   9           HA       ARG   9  13.896  -1.664  -1.360
   62    HB2  ARG   9           2HB      ARG   9  14.146   0.619  -0.305
   63    HB3  ARG   9           1HB      ARG   9  13.659  -0.098   1.214
   64    HG2  ARG   9           2HG      ARG   9  15.638  -1.437   1.293
   65    HG3  ARG   9           1HG      ARG   9  16.081  -0.960  -0.352
   66    HD2  ARG   9           2HD      ARG   9  16.225   1.372   0.381
   67    HD3  ARG   9           1HD      ARG   9  15.852   0.873   2.025
   68    HE   ARG   9           HE       ARG   9  17.940  -0.422   1.939
   69   HH11  ARG   9          1HH1      ARG   9  17.598   2.220  -0.410
   70   HH12  ARG   9          2HH1      ARG   9  19.260   2.610  -0.395
   71   HH21  ARG   9          1HH2      ARG   9  20.193   0.134   1.923
   72   HH22  ARG   9          2HH2      ARG   9  20.766   1.413   0.958
   73    H    GLY  10           H        GLY  10  11.703  -3.169  -0.979
   74    HA2  GLY  10           2HA      GLY  10  11.500  -5.378  -0.267
   75    HA3  GLY  10           1HA      GLY  10  12.644  -5.066   1.021
   76    H    VAL  11           H        VAL  11  10.799  -2.536   1.470
   77    HA   VAL  11           HA       VAL  11   9.048  -3.946   3.327
   78    HB   VAL  11           HB       VAL  11   9.567  -0.963   3.076
   79   HG11  VAL  11          1HG1      VAL  11   8.598  -0.821   5.331
   80   HG12  VAL  11          2HG1      VAL  11   8.266  -2.555   5.283
   81   HG13  VAL  11          3HG1      VAL  11   7.449  -1.466   4.158
   82   HG21  VAL  11          3HG2      VAL  11  10.790  -2.946   4.998
   83   HG22  VAL  11          1HG2      VAL  11  11.011  -1.196   5.048
   84   HG23  VAL  11          2HG2      VAL  11  11.627  -2.120   3.683
   85    H    CYS  12           H        CYS  12   7.139  -4.478   2.520
   86    HA   CYS  12           HA       CYS  12   6.011  -2.704   0.522
   87    HB2  CYS  12           2HB      CYS  12   5.519  -5.654   0.955
   88    HB3  CYS  12           1HB      CYS  12   4.666  -4.669  -0.230
   89    H    ARG  13           H        ARG  13   4.219  -1.671   0.971
   90    HA   ARG  13           HA       ARG  13   2.720  -2.475   3.375
   91    HB2  ARG  13           2HB      ARG  13   3.270   0.315   2.348
   92    HB3  ARG  13           1HB      ARG  13   2.220  -0.069   3.703
   93    HG2  ARG  13           2HG      ARG  13   4.129  -0.983   4.924
   94    HG3  ARG  13           1HG      ARG  13   5.180  -0.617   3.559
   95    HD2  ARG  13           2HD      ARG  13   3.581   1.412   5.104
   96    HD3  ARG  13           1HD      ARG  13   5.293   1.083   5.364
   97    HE   ARG  13           HE       ARG  13   5.409   1.678   2.863
   98   HH11  ARG  13          1HH1      ARG  13   3.286   3.267   5.221
   99   HH12  ARG  13          2HH1      ARG  13   3.318   4.775   4.426
  100   HH21  ARG  13          1HH2      ARG  13   5.496   3.792   1.822
  101   HH22  ARG  13          2HH2      ARG  13   4.647   5.093   2.495
  102    H    CYS  14           H        CYS  14   0.549  -2.642   3.148
  103    HA   CYS  14           HA       CYS  14  -0.595  -1.788   0.581
  104    HB2  CYS  14           2HB      CYS  14  -1.447  -4.141   2.251
  105    HB3  CYS  14           1HB      CYS  14  -2.172  -3.627   0.748
  106    H    VAL  15           H        VAL  15  -2.360  -0.704   0.627
  107    HA   VAL  15           HA       VAL  15  -3.697  -0.254   3.207
  108    HB   VAL  15           HB       VAL  15  -3.637   1.606   0.797
  109   HG11  VAL  15          1HG1      VAL  15  -4.714   3.231   2.283
  110   HG12  VAL  15          2HG1      VAL  15  -4.781   2.016   3.559
  111   HG13  VAL  15          3HG1      VAL  15  -5.703   1.785   2.072
  112   HG21  VAL  15          3HG2      VAL  15  -2.226   1.893   3.454
  113   HG22  VAL  15          1HG2      VAL  15  -2.264   3.108   2.179
  114   HG23  VAL  15          2HG2      VAL  15  -1.455   1.560   1.906
  115    H    CYS  16           H        CYS  16  -5.582  -1.311   3.233
  116    HA   CYS  16           HA       CYS  16  -6.845  -1.814   0.673
  117    HB2  CYS  16           2HB      CYS  16  -7.075  -3.354   3.256
  118    HB3  CYS  16           1HB      CYS  16  -8.045  -3.648   1.815
  119    H    ARG  17           H        ARG  17  -8.765  -1.122   0.276
  120    HA   ARG  17           HA       ARG  17 -10.538  -0.424   2.446
  121    HB2  ARG  17           2HB      ARG  17  -9.296   1.649   2.078
  122    HB3  ARG  17           1HB      ARG  17  -9.737   1.623   0.380
  123    HG2  ARG  17           2HG      ARG  17 -12.077   1.930   0.948
  124    HG3  ARG  17           1HG      ARG  17 -11.685   1.864   2.665
  125    HD2  ARG  17           2HD      ARG  17 -11.952   4.175   1.864
  126    HD3  ARG  17           1HD      ARG  17 -10.330   3.857   2.479
  127    HE   ARG  17           HE       ARG  17 -10.754   3.538  -0.357
  128   HH11  ARG  17          1HH1      ARG  17  -9.639   5.692   2.214
  129   HH12  ARG  17          2HH1      ARG  17  -8.616   6.604   1.224
  130   HH21  ARG  17          1HH2      ARG  17  -9.268   4.764  -1.733
  131   HH22  ARG  17          2HH2      ARG  17  -8.374   6.049  -1.074
  132    H    ARG  18           H        ARG  18 -12.177  -1.549   2.008
  133    HA   ARG  18           HA       ARG  18 -13.966  -2.479   1.090
  134    HB2  ARG  18           2HB      ARG  18 -14.540  -0.023   0.991
  135    HB3  ARG  18           1HB      ARG  18 -14.076  -0.042  -0.702
  136    HG2  ARG  18           2HG      ARG  18 -15.832  -1.672  -1.178
  137    HG3  ARG  18           1HG      ARG  18 -16.270  -1.711   0.527
  138    HD2  ARG  18           2HD      ARG  18 -17.817  -0.290  -0.626
  139    HD3  ARG  18           1HD      ARG  18 -16.784   0.718   0.382
  140    HE   ARG  18           HE       ARG  18 -15.921   0.393  -2.343
  141   HH11  ARG  18          1HH1      ARG  18 -17.615   2.456  -0.024
  142   HH12  ARG  18          2HH1      ARG  18 -17.755   3.794  -1.059
  143   HH21  ARG  18          1HH2      ARG  18 -16.132   2.207  -3.817
  144   HH22  ARG  18          2HH2      ARG  18 -16.890   3.637  -3.308
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -12.007  -0.724   1.271
    2    HA2  GLY   1           2HA      GLY   1 -12.628  -2.984   1.316
    3    HA3  GLY   1           1HA      GLY   1 -13.582  -2.712  -0.133
    4    H    VAL   2           H        VAL   2 -10.906  -1.345  -1.109
    5    HA   VAL   2           HA       VAL   2  -9.937  -3.833  -2.318
    6    HB   VAL   2           HB       VAL   2  -9.311  -0.983  -3.104
    7   HG11  VAL   2          1HG1      VAL   2  -8.937  -3.573  -4.581
    8   HG12  VAL   2          2HG1      VAL   2  -7.667  -2.563  -3.889
    9   HG13  VAL   2          3HG1      VAL   2  -8.630  -1.971  -5.246
   10   HG21  VAL   2          3HG2      VAL   2 -11.698  -1.357  -3.343
   11   HG22  VAL   2          1HG2      VAL   2 -11.387  -2.811  -4.293
   12   HG23  VAL   2          2HG2      VAL   2 -10.919  -1.231  -4.924
   13    H    CYS   3           H        CYS   3  -7.944  -4.550  -1.726
   14    HA   CYS   3           HA       CYS   3  -6.387  -2.674  -0.147
   15    HB2  CYS   3           2HB      CYS   3  -5.988  -5.652  -0.446
   16    HB3  CYS   3           1HB      CYS   3  -5.142  -4.593   0.679
   17    H    ARG   4           H        ARG   4  -4.784  -1.697  -0.902
   18    HA   ARG   4           HA       ARG   4  -3.705  -2.543  -3.496
   19    HB2  ARG   4           2HB      ARG   4  -5.326  -0.488  -3.347
   20    HB3  ARG   4           1HB      ARG   4  -3.970   0.319  -2.589
   21    HG2  ARG   4           2HG      ARG   4  -4.006   0.930  -4.893
   22    HG3  ARG   4           1HG      ARG   4  -2.629  -0.144  -4.647
   23    HD2  ARG   4           2HD      ARG   4  -5.299  -1.157  -5.620
   24    HD3  ARG   4           1HD      ARG   4  -4.088  -0.533  -6.732
   25    HE   ARG   4           HE       ARG   4  -2.606  -2.300  -5.805
   26   HH11  ARG   4          1HH1      ARG   4  -6.117  -2.796  -5.814
   27   HH12  ARG   4          2HH1      ARG   4  -6.016  -4.493  -5.923
   28   HH21  ARG   4          1HH2      ARG   4  -2.482  -4.640  -6.031
   29   HH22  ARG   4          2HH2      ARG   4  -3.905  -5.557  -6.038
   30    H    CYS   5           H        CYS   5  -1.430  -2.323  -3.597
   31    HA   CYS   5           HA       CYS   5  -0.309  -1.814  -0.959
   32    HB2  CYS   5           2HB      CYS   5   0.942  -3.529  -3.069
   33    HB3  CYS   5           1HB      CYS   5   1.314  -3.476  -1.350
   34    H    VAL   6           H        VAL   6   1.316  -0.509  -0.634
   35    HA   VAL   6           HA       VAL   6   2.206   1.031  -2.896
   36    HB   VAL   6           HB       VAL   6   2.856   2.664  -1.150
   37   HG11  VAL   6          1HG1      VAL   6  -0.083   1.952  -1.243
   38   HG12  VAL   6          2HG1      VAL   6   0.776   2.958  -2.409
   39   HG13  VAL   6          3HG1      VAL   6   0.554   3.523  -0.751
   40   HG21  VAL   6          3HG2      VAL   6   1.228   0.918   0.701
   41   HG22  VAL   6          1HG2      VAL   6   1.829   2.529   1.096
   42   HG23  VAL   6          2HG2      VAL   6   2.963   1.210   0.799
   43    H    CYS   7           H        CYS   7   4.408   1.225  -3.190
   44    HA   CYS   7           HA       CYS   7   5.951  -0.571  -1.502
   45    HB2  CYS   7           2HB      CYS   7   6.549   0.166  -4.366
   46    HB3  CYS   7           1HB      CYS   7   7.430  -0.959  -3.321
   47    H    ARG   8           H        ARG   8   7.506   0.099  -0.432
   48    HA   ARG   8           HA       ARG   8   8.440   2.849  -0.829
   49    HB2  ARG   8           2HB      ARG   8   6.819   2.659   1.050
   50    HB3  ARG   8           1HB      ARG   8   7.862   1.463   1.796
   51    HG2  ARG   8           2HG      ARG   8   8.178   3.576   2.894
   52    HG3  ARG   8           1HG      ARG   8   9.635   3.188   1.972
   53    HD2  ARG   8           2HD      ARG   8   8.933   4.690   0.201
   54    HD3  ARG   8           1HD      ARG   8   7.423   5.022   1.048
   55    HE   ARG   8           HE       ARG   8   9.479   5.639   2.788
   56   HH11  ARG   8          1HH1      ARG   8   8.328   6.832  -0.339
   57   HH12  ARG   8          2HH1      ARG   8   8.866   8.430  -0.054
   58   HH21  ARG   8          1HH2      ARG   8  10.176   7.810   3.156
   59   HH22  ARG   8          2HH2      ARG   8   9.902   8.999   1.961
   60    H    ARG   9           H        ARG   9  10.501   2.600  -1.451
   61    HA   ARG   9           HA       ARG   9  12.659   2.011  -1.543
   62    HB2  ARG   9           2HB      ARG   9  12.650   2.916   0.749
   63    HB3  ARG   9           1HB      ARG   9  12.213   1.345   1.384
   64    HG2  ARG   9           2HG      ARG   9  14.373   0.461   0.790
   65    HG3  ARG   9           1HG      ARG   9  14.810   1.954  -0.037
   66    HD2  ARG   9           2HD      ARG   9  14.731   3.167   2.062
   67    HD3  ARG   9           1HD      ARG   9  14.174   1.723   2.912
   68    HE   ARG   9           HE       ARG   9  16.476   0.931   1.784
   69   HH11  ARG   9          1HH1      ARG   9  15.706   3.695   3.857
   70   HH12  ARG   9          2HH1      ARG   9  17.235   3.751   4.606
   71   HH21  ARG   9          1HH2      ARG   9  18.584   0.994   2.860
   72   HH22  ARG   9          2HH2      ARG   9  18.870   2.185   4.034
   73    H    GLY  10           H        GLY  10  10.947   0.203  -2.556
   74    HA2  GLY  10           2HA      GLY  10  11.213  -1.851  -3.585
   75    HA3  GLY  10           1HA      GLY  10  12.586  -2.164  -2.539
   76    H    VAL  11           H        VAL  11  10.302  -1.351  -0.378
   77    HA   VAL  11           HA       VAL  11   9.486  -4.152  -0.070
   78    HB   VAL  11           HB       VAL  11   9.433  -1.907   1.961
   79   HG11  VAL  11          1HG1      VAL  11   9.108  -3.682   3.630
   80   HG12  VAL  11          2HG1      VAL  11   9.050  -4.871   2.333
   81   HG13  VAL  11          3HG1      VAL  11   7.800  -3.635   2.448
   82   HG21  VAL  11          3HG2      VAL  11  11.441  -4.138   1.668
   83   HG22  VAL  11          1HG2      VAL  11  11.380  -2.994   3.008
   84   HG23  VAL  11          2HG2      VAL  11  11.735  -2.423   1.378
   85    H    CYS  12           H        CYS  12   7.377  -4.637  -0.395
   86    HA   CYS  12           HA       CYS  12   5.600  -2.358  -0.786
   87    HB2  CYS  12           2HB      CYS  12   5.333  -5.171  -1.850
   88    HB3  CYS  12           1HB      CYS  12   4.228  -3.834  -2.177
   89    H    ARG  13           H        ARG  13   4.061  -1.943   0.523
   90    HA   ARG  13           HA       ARG  13   3.172  -3.994   2.419
   91    HB2  ARG  13           2HB      ARG  13   3.628  -1.038   2.866
   92    HB3  ARG  13           1HB      ARG  13   2.807  -2.081   4.017
   93    HG2  ARG  13           2HG      ARG  13   4.838  -3.446   4.194
   94    HG3  ARG  13           1HG      ARG  13   5.661  -2.342   3.094
   95    HD2  ARG  13           2HD      ARG  13   5.324  -0.515   4.674
   96    HD3  ARG  13           1HD      ARG  13   4.477  -1.608   5.771
   97    HE   ARG  13           HE       ARG  13   6.915  -2.758   5.267
   98   HH11  ARG  13          1HH1      ARG  13   5.739   0.209   6.807
   99   HH12  ARG  13          2HH1      ARG  13   7.097   0.390   7.825
  100   HH21  ARG  13          1HH2      ARG  13   8.823  -2.475   6.678
  101   HH22  ARG  13          2HH2      ARG  13   8.861  -1.154   7.741
  102    H    CYS  14           H        CYS  14   0.948  -4.087   2.797
  103    HA   CYS  14           HA       CYS  14  -0.539  -2.709   0.717
  104    HB2  CYS  14           2HB      CYS  14  -1.261  -5.210   2.166
  105    HB3  CYS  14           1HB      CYS  14  -2.144  -4.495   0.829
  106    H    VAL  15           H        VAL  15  -2.328  -1.630   1.002
  107    HA   VAL  15           HA       VAL  15  -3.266  -1.139   3.750
  108    HB   VAL  15           HB       VAL  15  -2.994   0.914   1.516
  109   HG11  VAL  15          1HG1      VAL  15  -3.827   1.289   4.389
  110   HG12  VAL  15          2HG1      VAL  15  -4.876   1.393   2.979
  111   HG13  VAL  15          3HG1      VAL  15  -3.587   2.583   3.216
  112   HG21  VAL  15          3HG2      VAL  15  -1.248   1.976   2.897
  113   HG22  VAL  15          1HG2      VAL  15  -0.792   0.349   2.385
  114   HG23  VAL  15          2HG2      VAL  15  -1.350   0.632   4.034
  115    H    CYS  16           H        CYS  16  -5.536  -1.027   3.894
  116    HA   CYS  16           HA       CYS  16  -6.895  -1.666   1.404
  117    HB2  CYS  16           2HB      CYS  16  -7.828  -2.254   4.212
  118    HB3  CYS  16           1HB      CYS  16  -8.634  -2.698   2.699
  119    H    ARG  17           H        ARG  17  -8.328  -0.514   0.565
  120    HA   ARG  17           HA       ARG  17  -9.341   1.871   1.921
  121    HB2  ARG  17           2HB      ARG  17  -7.201   2.431   0.835
  122    HB3  ARG  17           1HB      ARG  17  -7.818   1.805  -0.680
  123    HG2  ARG  17           2HG      ARG  17  -7.987   4.104  -0.895
  124    HG3  ARG  17           1HG      ARG  17  -9.619   3.577  -0.487
  125    HD2  ARG  17           2HD      ARG  17  -7.643   4.650   1.539
  126    HD3  ARG  17           1HD      ARG  17  -8.805   5.653   0.688
  127    HE   ARG  17           HE       ARG  17  -9.590   3.467   2.512
  128   HH11  ARG  17          1HH1      ARG  17  -9.853   6.837   1.450
  129   HH12  ARG  17          2HH1      ARG  17 -11.269   7.119   2.353
  130   HH21  ARG  17          1HH2      ARG  17 -11.484   3.908   3.783
  131   HH22  ARG  17          2HH2      ARG  17 -12.200   5.461   3.682
  132    H    ARG  18           H        ARG  18 -11.511   1.745   1.565
  133    HA   ARG  18           HA       ARG  18 -13.513   1.573   0.575
  134    HB2  ARG  18           2HB      ARG  18 -12.513   3.149  -1.058
  135    HB3  ARG  18           1HB      ARG  18 -11.925   1.809  -2.010
  136    HG2  ARG  18           2HG      ARG  18 -14.330   1.133  -2.359
  137    HG3  ARG  18           1HG      ARG  18 -14.797   2.621  -1.541
  138    HD2  ARG  18           2HD      ARG  18 -13.061   2.492  -3.992
  139    HD3  ARG  18           1HD      ARG  18 -14.797   2.772  -4.023
  140    HE   ARG  18           HE       ARG  18 -13.996   4.701  -2.399
  141   HH11  ARG  18          1HH1      ARG  18 -12.575   3.645  -5.458
  142   HH12  ARG  18          2HH1      ARG  18 -12.211   5.205  -6.006
  143   HH21  ARG  18          1HH2      ARG  18 -13.481   6.872  -3.150
  144   HH22  ARG  18          2HH2      ARG  18 -12.714   7.086  -4.660
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -11.451  -2.770   0.406
    2    HA2  GLY   1           2HA      GLY   1 -11.407  -4.795  -0.793
    3    HA3  GLY   1           1HA      GLY   1 -12.481  -4.081  -1.989
    4    H    VAL   2           H        VAL   2 -10.582  -1.654  -1.911
    5    HA   VAL   2           HA       VAL   2  -8.859  -2.716  -4.003
    6    HB   VAL   2           HB       VAL   2  -9.327   0.165  -3.182
    7   HG11  VAL   2          1HG1      VAL   2  -7.229  -0.158  -4.383
    8   HG12  VAL   2          2HG1      VAL   2  -8.391   0.721  -5.378
    9   HG13  VAL   2          3HG1      VAL   2  -8.090  -0.990  -5.679
   10   HG21  VAL   2          3HG2      VAL   2 -10.606  -1.408  -5.419
   11   HG22  VAL   2          1HG2      VAL   2 -10.821   0.316  -5.120
   12   HG23  VAL   2          2HG2      VAL   2 -11.405  -0.864  -3.948
   13    H    CYS   3           H        CYS   3  -6.955  -3.416  -3.308
   14    HA   CYS   3           HA       CYS   3  -5.784  -2.045  -1.030
   15    HB2  CYS   3           2HB      CYS   3  -5.260  -4.818  -2.090
   16    HB3  CYS   3           1HB      CYS   3  -4.325  -4.061  -0.802
   17    H    ARG   4           H        ARG   4  -4.192  -0.788  -1.341
   18    HA   ARG   4           HA       ARG   4  -2.795  -0.834  -3.905
   19    HB2  ARG   4           2HB      ARG   4  -4.001   1.247  -3.141
   20    HB3  ARG   4           1HB      ARG   4  -2.891   1.321  -1.788
   21    HG2  ARG   4           2HG      ARG   4  -2.219   2.868  -3.530
   22    HG3  ARG   4           1HG      ARG   4  -1.013   1.591  -3.336
   23    HD2  ARG   4           2HD      ARG   4  -1.530   2.129  -5.706
   24    HD3  ARG   4           1HD      ARG   4  -1.835   0.443  -5.284
   25    HE   ARG   4           HE       ARG   4  -4.174   1.983  -4.942
   26   HH11  ARG   4          1HH1      ARG   4  -2.169   0.668  -7.527
   27   HH12  ARG   4          2HH1      ARG   4  -3.454   0.512  -8.633
   28   HH21  ARG   4          1HH2      ARG   4  -5.929   1.755  -6.407
   29   HH22  ARG   4          2HH2      ARG   4  -5.701   1.132  -7.967
   30    H    CYS   5           H        CYS   5  -0.937  -1.970  -3.761
   31    HA   CYS   5           HA       CYS   5   0.553  -1.795  -1.258
   32    HB2  CYS   5           2HB      CYS   5   0.812  -3.813  -3.462
   33    HB3  CYS   5           1HB      CYS   5   1.716  -3.809  -1.964
   34    H    VAL   6           H        VAL   6   2.416  -0.990  -1.229
   35    HA   VAL   6           HA       VAL   6   3.706  -0.101  -3.730
   36    HB   VAL   6           HB       VAL   6   3.636   1.435  -1.101
   37   HG11  VAL   6          1HG1      VAL   6   4.713   3.252  -2.342
   38   HG12  VAL   6          2HG1      VAL   6   4.802   2.224  -3.774
   39   HG13  VAL   6          3HG1      VAL   6   5.705   1.794  -2.325
   40   HG21  VAL   6          3HG2      VAL   6   2.223   2.061  -3.698
   41   HG22  VAL   6          1HG2      VAL   6   2.272   3.111  -2.279
   42   HG23  VAL   6          2HG2      VAL   6   1.458   1.545  -2.196
   43    H    CYS   7           H        CYS   7   5.824  -0.683  -3.836
   44    HA   CYS   7           HA       CYS   7   6.965  -1.808  -1.396
   45    HB2  CYS   7           2HB      CYS   7   7.600  -2.485  -4.262
   46    HB3  CYS   7           1HB      CYS   7   8.400  -3.153  -2.834
   47    H    ARG   8           H        ARG   8   8.729  -1.079  -0.637
   48    HA   ARG   8           HA       ARG   8  10.379   0.715  -2.232
   49    HB2  ARG   8           2HB      ARG   8   8.781   2.165  -1.069
   50    HB3  ARG   8           1HB      ARG   8   9.224   1.427   0.458
   51    HG2  ARG   8           2HG      ARG   8  11.439   2.331   0.328
   52    HG3  ARG   8           1HG      ARG   8  11.130   2.958  -1.294
   53    HD2  ARG   8           2HD      ARG   8   9.671   3.769   1.203
   54    HD3  ARG   8           1HD      ARG   8  10.951   4.700   0.419
   55    HE   ARG   8           HE       ARG   8   9.262   4.434  -1.583
   56   HH11  ARG   8          1HH1      ARG   8   8.595   5.334   1.777
   57   HH12  ARG   8          2HH1      ARG   8   7.226   6.287   1.371
   58   HH21  ARG   8          1HH2      ARG   8   7.441   5.691  -2.095
   59   HH22  ARG   8          2HH2      ARG   8   6.502   6.457  -0.888
   60    H    ARG   9           H        ARG   9  12.362  -0.016  -2.063
   61    HA   ARG   9           HA       ARG   9  14.366  -0.718  -1.210
   62    HB2  ARG   9           2HB      ARG   9  13.827   1.141   0.425
   63    HB3  ARG   9           1HB      ARG   9  13.166  -0.077   1.495
   64    HG2  ARG   9           2HG      ARG   9  15.419  -1.113   1.612
   65    HG3  ARG   9           1HG      ARG   9  16.039   0.232   0.647
   66    HD2  ARG   9           2HD      ARG   9  15.151   1.800   2.347
   67    HD3  ARG   9           1HD      ARG   9  14.685   0.415   3.325
   68    HE   ARG   9           HE       ARG   9  17.456   0.475   2.579
   69   HH11  ARG   9          1HH1      ARG   9  15.067   1.296   5.075
   70   HH12  ARG   9          2HH1      ARG   9  16.229   1.658   6.254
   71   HH21  ARG   9          1HH2      ARG   9  19.040   0.979   4.199
   72   HH22  ARG   9          2HH2      ARG   9  18.538   1.504   5.748
   73    H    GLY  10           H        GLY  10  12.135  -2.543  -1.592
   74    HA2  GLY  10           2HA      GLY  10  12.044  -4.870  -1.466
   75    HA3  GLY  10           1HA      GLY  10  13.209  -4.823  -0.147
   76    H    VAL  11           H        VAL  11  11.021  -2.581   0.671
   77    HA   VAL  11           HA       VAL  11   9.554  -4.429   2.391
   78    HB   VAL  11           HB       VAL  11   9.914  -1.420   2.562
   79   HG11  VAL  11          1HG1      VAL  11   8.979  -1.642   4.835
   80   HG12  VAL  11          2HG1      VAL  11   8.624  -3.340   4.484
   81   HG13  VAL  11          3HG1      VAL  11   7.824  -2.068   3.570
   82   HG21  VAL  11          3HG2      VAL  11  11.370  -1.896   4.481
   83   HG22  VAL  11          1HG2      VAL  11  11.997  -2.592   2.989
   84   HG23  VAL  11          2HG2      VAL  11  11.198  -3.622   4.177
   85    H    CYS  12           H        CYS  12   7.570  -4.938   1.651
   86    HA   CYS  12           HA       CYS  12   6.244  -2.980  -0.011
   87    HB2  CYS  12           2HB      CYS  12   5.702  -5.934   0.302
   88    HB3  CYS  12           1HB      CYS  12   4.758  -4.854  -0.716
   89    H    ARG  13           H        ARG  13   4.556  -1.917   0.666
   90    HA   ARG  13           HA       ARG  13   3.252  -2.751   3.170
   91    HB2  ARG  13           2HB      ARG  13   4.746  -0.778   3.374
   92    HB3  ARG  13           1HB      ARG  13   3.800   0.032   2.136
   93    HG2  ARG  13           2HG      ARG  13   1.863   0.035   3.599
   94    HG3  ARG  13           1HG      ARG  13   2.781  -0.832   4.832
   95    HD2  ARG  13           2HD      ARG  13   3.374   1.908   3.746
   96    HD3  ARG  13           1HD      ARG  13   2.744   1.518   5.349
   97    HE   ARG  13           HE       ARG  13   4.993   0.136   5.324
   98   HH11  ARG  13          1HH1      ARG  13   4.295   3.531   4.627
   99   HH12  ARG  13          2HH1      ARG  13   5.876   4.076   4.977
  100   HH21  ARG  13          1HH2      ARG  13   7.202   0.897   5.761
  101   HH22  ARG  13          2HH2      ARG  13   7.542   2.567   5.596
  102    H    CYS  14           H        CYS  14   0.989  -2.682   3.134
  103    HA   CYS  14           HA       CYS  14  -0.207  -1.784   0.609
  104    HB2  CYS  14           2HB      CYS  14  -1.092  -4.156   2.245
  105    HB3  CYS  14           1HB      CYS  14  -1.837  -3.580   0.775
  106    H    VAL  15           H        VAL  15  -2.000  -0.683   0.719
  107    HA   VAL  15           HA       VAL  15  -3.299  -0.316   3.311
  108    HB   VAL  15           HB       VAL  15  -2.041   1.745   2.838
  109   HG11  VAL  15          1HG1      VAL  15  -2.468   3.140   0.872
  110   HG12  VAL  15          2HG1      VAL  15  -3.522   1.886   0.222
  111   HG13  VAL  15          3HG1      VAL  15  -1.804   1.566   0.429
  112   HG21  VAL  15          3HG2      VAL  15  -3.867   3.397   2.829
  113   HG22  VAL  15          1HG2      VAL  15  -4.175   2.043   3.920
  114   HG23  VAL  15          2HG2      VAL  15  -4.991   2.124   2.357
  115    H    CYS  16           H        CYS  16  -5.419  -0.815   3.258
  116    HA   CYS  16           HA       CYS  16  -6.529  -1.236   0.593
  117    HB2  CYS  16           2HB      CYS  16  -7.267  -2.630   3.165
  118    HB3  CYS  16           1HB      CYS  16  -8.017  -2.887   1.591
  119    H    ARG  17           H        ARG  17  -8.251  -0.340  -0.042
  120    HA   ARG  17           HA       ARG  17  -9.981   0.998   1.881
  121    HB2  ARG  17           2HB      ARG  17  -8.644   2.781   0.932
  122    HB3  ARG  17           1HB      ARG  17  -8.949   2.199  -0.697
  123    HG2  ARG  17           2HG      ARG  17 -10.274   4.184  -0.191
  124    HG3  ARG  17           1HG      ARG  17 -11.308   2.788  -0.494
  125    HD2  ARG  17           2HD      ARG  17 -11.433   2.484   2.009
  126    HD3  ARG  17           1HD      ARG  17 -10.608   4.038   2.162
  127    HE   ARG  17           HE       ARG  17 -12.823   4.330   0.491
  128   HH11  ARG  17          1HH1      ARG  17 -12.073   3.806   3.911
  129   HH12  ARG  17          2HH1      ARG  17 -13.514   4.489   4.487
  130   HH21  ARG  17          1HH2      ARG  17 -14.847   5.263   1.299
  131   HH22  ARG  17          2HH2      ARG  17 -15.110   5.323   2.985
  132    H    ARG  18           H        ARG  18 -11.646  -0.256   1.812
  133    HA   ARG  18           HA       ARG  18 -13.457  -1.385   1.190
  134    HB2  ARG  18           2HB      ARG  18 -14.127   0.969   0.773
  135    HB3  ARG  18           1HB      ARG  18 -13.622   0.804  -0.895
  136    HG2  ARG  18           2HG      ARG  18 -15.390  -0.750  -1.346
  137    HG3  ARG  18           1HG      ARG  18 -15.795  -0.848   0.369
  138    HD2  ARG  18           2HD      ARG  18 -15.967   1.671  -1.276
  139    HD3  ARG  18           1HD      ARG  18 -17.334   0.600  -0.960
  140    HE   ARG  18           HE       ARG  18 -16.457   1.124   1.514
  141   HH11  ARG  18          1HH1      ARG  18 -17.180   3.344  -1.154
  142   HH12  ARG  18          2HH1      ARG  18 -17.671   4.612  -0.129
  143   HH21  ARG  18          1HH2      ARG  18 -17.183   2.844   2.895
  144   HH22  ARG  18          2HH2      ARG  18 -17.685   4.317   2.222
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -10.951  -1.876   1.737
    2    HA2  GLY   1           2HA      GLY   1 -11.241  -4.175   1.246
    3    HA3  GLY   1           1HA      GLY   1 -12.560  -3.751   0.169
    4    H    VAL   2           H        VAL   2 -10.669  -1.604  -0.970
    5    HA   VAL   2           HA       VAL   2  -9.520  -3.371  -2.965
    6    HB   VAL   2           HB       VAL   2  -9.503  -0.338  -2.853
    7   HG11  VAL   2          1HG1      VAL   2  -7.749  -1.237  -4.286
    8   HG12  VAL   2          2HG1      VAL   2  -9.003  -0.467  -5.262
    9   HG13  VAL   2          3HG1      VAL   2  -8.935  -2.221  -5.141
   10   HG21  VAL   2          3HG2      VAL   2 -11.372  -2.190  -4.336
   11   HG22  VAL   2          1HG2      VAL   2 -11.340  -0.433  -4.491
   12   HG23  VAL   2          2HG2      VAL   2 -11.790  -1.177  -2.955
   13    H    CYS   3           H        CYS   3  -7.580  -4.189  -2.464
   14    HA   CYS   3           HA       CYS   3  -5.823  -2.485  -0.908
   15    HB2  CYS   3           2HB      CYS   3  -5.833  -5.489  -1.184
   16    HB3  CYS   3           1HB      CYS   3  -4.629  -4.578  -0.284
   17    H    ARG   4           H        ARG   4  -3.962  -1.848  -1.708
   18    HA   ARG   4           HA       ARG   4  -2.812  -3.315  -3.977
   19    HB2  ARG   4           2HB      ARG   4  -2.246  -1.229  -5.168
   20    HB3  ARG   4           1HB      ARG   4  -3.977  -1.447  -5.008
   21    HG2  ARG   4           2HG      ARG   4  -4.068   0.199  -3.243
   22    HG3  ARG   4           1HG      ARG   4  -2.309   0.356  -3.268
   23    HD2  ARG   4           2HD      ARG   4  -4.155   1.003  -5.564
   24    HD3  ARG   4           1HD      ARG   4  -3.433   2.184  -4.473
   25    HE   ARG   4           HE       ARG   4  -1.580   0.443  -5.873
   26   HH11  ARG   4          1HH1      ARG   4  -3.211   3.571  -5.865
   27   HH12  ARG   4          2HH1      ARG   4  -2.093   4.322  -6.903
   28   HH21  ARG   4          1HH2      ARG   4  -0.052   1.428  -7.282
   29   HH22  ARG   4          2HH2      ARG   4  -0.234   3.054  -7.738
   30    H    CYS   5           H        CYS   5  -0.662  -3.651  -3.824
   31    HA   CYS   5           HA       CYS   5   0.701  -2.390  -1.585
   32    HB2  CYS   5           2HB      CYS   5   1.454  -4.736  -3.288
   33    HB3  CYS   5           1HB      CYS   5   2.600  -3.946  -2.246
   34    H    VAL   6           H        VAL   6   2.325  -1.305  -1.570
   35    HA   VAL   6           HA       VAL   6   3.524  -0.395  -4.059
   36    HB   VAL   6           HB       VAL   6   1.922   1.360  -3.262
   37   HG11  VAL   6          1HG1      VAL   6   1.902   0.900  -0.899
   38   HG12  VAL   6          2HG1      VAL   6   2.325   2.590  -1.174
   39   HG13  VAL   6          3HG1      VAL   6   3.579   1.421  -0.753
   40   HG21  VAL   6          3HG2      VAL   6   3.496   3.269  -3.211
   41   HG22  VAL   6          1HG2      VAL   6   3.893   2.095  -4.468
   42   HG23  VAL   6          2HG2      VAL   6   4.827   2.138  -2.974
   43    H    CYS   7           H        CYS   7   5.769  -0.121  -3.836
   44    HA   CYS   7           HA       CYS   7   6.734  -1.233  -1.334
   45    HB2  CYS   7           2HB      CYS   7   8.161  -1.176  -3.990
   46    HB3  CYS   7           1HB      CYS   7   8.693  -1.970  -2.505
   47    H    ARG   8           H        ARG   8   7.970  -0.279  -0.072
   48    HA   ARG   8           HA       ARG   8   9.170   2.291  -0.845
   49    HB2  ARG   8           2HB      ARG   8   7.182   2.630   0.591
   50    HB3  ARG   8           1HB      ARG   8   7.874   1.546   1.789
   51    HG2  ARG   8           2HG      ARG   8   9.783   3.123   2.018
   52    HG3  ARG   8           1HG      ARG   8   8.937   4.227   0.937
   53    HD2  ARG   8           2HD      ARG   8   7.896   3.199   3.579
   54    HD3  ARG   8           1HD      ARG   8   8.565   4.803   3.298
   55    HE   ARG   8           HE       ARG   8   6.639   4.874   1.566
   56   HH11  ARG   8          1HH1      ARG   8   6.473   3.425   4.815
   57   HH12  ARG   8          2HH1      ARG   8   4.865   3.862   5.087
   58   HH21  ARG   8          1HH2      ARG   8   4.385   5.456   1.944
   59   HH22  ARG   8          2HH2      ARG   8   3.640   5.021   3.401
   60    H    ARG   9           H        ARG   9  11.263   1.767  -0.975
   61    HA   ARG   9           HA       ARG   9  13.261   0.928  -0.594
   62    HB2  ARG   9           2HB      ARG   9  13.154   2.639   1.194
   63    HB3  ARG   9           1HB      ARG   9  12.538   1.434   2.313
   64    HG2  ARG   9           2HG      ARG   9  14.918   1.817   2.711
   65    HG3  ARG   9           1HG      ARG   9  14.663   0.183   2.092
   66    HD2  ARG   9           2HD      ARG   9  15.197   1.072  -0.189
   67    HD3  ARG   9           1HD      ARG   9  15.679   2.581   0.580
   68    HE   ARG   9           HE       ARG   9  16.975   0.344   1.734
   69   HH11  ARG   9          1HH1      ARG   9  17.039   2.507  -1.045
   70   HH12  ARG   9          2HH1      ARG   9  18.653   2.179  -1.464
   71   HH21  ARG   9          1HH2      ARG   9  19.203  -0.137   1.175
   72   HH22  ARG   9          2HH2      ARG   9  19.928   0.617  -0.162
   73    H    GLY  10           H        GLY  10  11.775  -1.051  -1.223
   74    HA2  GLY  10           2HA      GLY  10  12.086  -3.350  -1.331
   75    HA3  GLY  10           1HA      GLY  10  13.042  -3.266   0.137
   76    H    VAL  11           H        VAL  11  10.540  -1.688   1.212
   77    HA   VAL  11           HA       VAL  11   9.232  -4.112   2.165
   78    HB   VAL  11           HB       VAL  11   8.991  -1.260   3.176
   79   HG11  VAL  11          1HG1      VAL  11   6.980  -2.566   3.646
   80   HG12  VAL  11          2HG1      VAL  11   7.874  -2.254   5.136
   81   HG13  VAL  11          3HG1      VAL  11   7.961  -3.838   4.373
   82   HG21  VAL  11          3HG2      VAL  11  10.321  -2.044   5.087
   83   HG22  VAL  11          1HG2      VAL  11  11.210  -2.162   3.565
   84   HG23  VAL  11          2HG2      VAL  11  10.513  -3.608   4.291
   85    H    CYS  12           H        CYS  12   7.608  -4.707   0.958
   86    HA   CYS  12           HA       CYS  12   5.970  -2.688  -0.335
   87    HB2  CYS  12           2HB      CYS  12   5.938  -5.693  -0.657
   88    HB3  CYS  12           1HB      CYS  12   5.110  -4.507  -1.668
   89    H    ARG  13           H        ARG  13   4.217  -2.070   0.477
   90    HA   ARG  13           HA       ARG  13   2.869  -3.747   2.490
   91    HB2  ARG  13           2HB      ARG  13   4.041  -1.878   3.568
   92    HB3  ARG  13           1HB      ARG  13   3.255  -0.745   2.483
   93    HG2  ARG  13           2HG      ARG  13   1.066  -1.414   3.457
   94    HG3  ARG  13           1HG      ARG  13   1.938  -2.422   4.612
   95    HD2  ARG  13           2HD      ARG  13   2.257   0.559   4.288
   96    HD3  ARG  13           1HD      ARG  13   1.322  -0.232   5.553
   97    HE   ARG  13           HE       ARG  13   3.854  -1.288   5.722
   98   HH11  ARG  13          1HH1      ARG  13   2.411   1.908   6.056
   99   HH12  ARG  13          2HH1      ARG  13   3.584   2.491   7.150
  100   HH21  ARG  13          1HH2      ARG  13   5.469  -0.519   7.176
  101   HH22  ARG  13          2HH2      ARG  13   5.414   1.075   7.770
  102    H    CYS  14           H        CYS  14   0.684  -3.940   2.186
  103    HA   CYS  14           HA       CYS  14  -0.433  -2.485  -0.053
  104    HB2  CYS  14           2HB      CYS  14  -1.406  -4.830   1.467
  105    HB3  CYS  14           1HB      CYS  14  -2.494  -3.898   0.482
  106    H    VAL  15           H        VAL  15  -1.639  -1.124  -0.044
  107    HA   VAL  15           HA       VAL  15  -2.642   0.060   2.445
  108    HB   VAL  15           HB       VAL  15  -2.489   1.264  -0.347
  109   HG11  VAL  15          1HG1      VAL  15  -4.234   2.260   1.012
  110   HG12  VAL  15          2HG1      VAL  15  -2.911   3.401   0.773
  111   HG13  VAL  15          3HG1      VAL  15  -3.080   2.557   2.312
  112   HG21  VAL  15          3HG2      VAL  15  -0.662   1.737   2.013
  113   HG22  VAL  15          1HG2      VAL  15  -0.609   2.612   0.483
  114   HG23  VAL  15          2HG2      VAL  15  -0.240   0.886   0.527
  115    H    CYS  16           H        CYS  16  -4.776  -0.191   2.780
  116    HA   CYS  16           HA       CYS  16  -6.259  -1.179   0.505
  117    HB2  CYS  16           2HB      CYS  16  -6.741  -1.738   3.422
  118    HB3  CYS  16           1HB      CYS  16  -7.745  -2.285   2.076
  119    H    ARG  17           H        ARG  17  -7.894  -0.170  -0.123
  120    HA   ARG  17           HA       ARG  17  -9.061   1.937   1.534
  121    HB2  ARG  17           2HB      ARG  17  -7.832   3.019  -0.210
  122    HB3  ARG  17           1HB      ARG  17  -8.508   1.949  -1.427
  123    HG2  ARG  17           2HG      ARG  17 -10.630   2.980  -1.285
  124    HG3  ARG  17           1HG      ARG  17 -10.185   3.834   0.182
  125    HD2  ARG  17           2HD      ARG  17  -8.808   4.272  -2.457
  126    HD3  ARG  17           1HD      ARG  17 -10.154   5.262  -1.889
  127    HE   ARG  17           HE       ARG  17  -8.470   5.382   0.177
  128   HH11  ARG  17          1HH1      ARG  17  -7.858   5.918  -3.276
  129   HH12  ARG  17          2HH1      ARG  17  -6.636   7.073  -3.002
  130   HH21  ARG  17          1HH2      ARG  17  -6.807   7.000   0.514
  131   HH22  ARG  17          2HH2      ARG  17  -6.034   7.687  -0.844
  132    H    ARG  18           H        ARG  18 -10.745   0.901   2.301
  133    HA   ARG  18           HA       ARG  18 -12.698  -0.148   2.498
  134    HB2  ARG  18           2HB      ARG  18 -13.415   1.988   1.491
  135    HB3  ARG  18           1HB      ARG  18 -13.311   1.277  -0.110
  136    HG2  ARG  18           2HG      ARG  18 -15.099  -0.303   0.490
  137    HG3  ARG  18           1HG      ARG  18 -15.168   0.379   2.105
  138    HD2  ARG  18           2HD      ARG  18 -15.846   2.535   1.159
  139    HD3  ARG  18           1HD      ARG  18 -15.783   1.840  -0.459
  140    HE   ARG  18           HE       ARG  18 -17.498   0.229   0.410
  141   HH11  ARG  18          1HH1      ARG  18 -17.283   3.510   1.761
  142   HH12  ARG  18          2HH1      ARG  18 -18.944   3.619   2.090
  143   HH21  ARG  18          1HH2      ARG  18 -19.781   0.402   0.911
  144   HH22  ARG  18          2HH2      ARG  18 -20.382   1.837   1.608
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -12.553  -2.374   0.798
    2    HA2  GLY   1           2HA      GLY   1 -12.737  -4.653   0.295
    3    HA3  GLY   1           1HA      GLY   1 -13.765  -4.229  -1.066
    4    H    VAL   2           H        VAL   2 -11.180  -2.275  -1.330
    5    HA   VAL   2           HA       VAL   2  -9.884  -4.065  -3.252
    6    HB   VAL   2           HB       VAL   2  -9.757  -1.039  -3.074
    7   HG11  VAL   2          1HG1      VAL   2  -8.889  -1.148  -5.364
    8   HG12  VAL   2          2HG1      VAL   2  -8.904  -2.911  -5.269
    9   HG13  VAL   2          3HG1      VAL   2  -7.847  -1.980  -4.207
   10   HG21  VAL   2          3HG2      VAL   2 -11.478  -2.736  -4.880
   11   HG22  VAL   2          1HG2      VAL   2 -11.276  -0.989  -5.014
   12   HG23  VAL   2          2HG2      VAL   2 -12.035  -1.685  -3.580
   13    H    CYS   3           H        CYS   3  -7.723  -4.499  -2.948
   14    HA   CYS   3           HA       CYS   3  -6.486  -3.083  -0.743
   15    HB2  CYS   3           2HB      CYS   3  -6.130  -5.957  -1.594
   16    HB3  CYS   3           1HB      CYS   3  -5.070  -5.146  -0.445
   17    H    ARG   4           H        ARG   4  -4.539  -2.208  -1.122
   18    HA   ARG   4           HA       ARG   4  -3.219  -2.856  -3.649
   19    HB2  ARG   4           2HB      ARG   4  -2.491  -0.432  -3.737
   20    HB3  ARG   4           1HB      ARG   4  -4.158  -0.783  -4.154
   21    HG2  ARG   4           2HG      ARG   4  -4.945   0.078  -2.082
   22    HG3  ARG   4           1HG      ARG   4  -3.303   0.185  -1.436
   23    HD2  ARG   4           2HD      ARG   4  -4.327   2.349  -2.252
   24    HD3  ARG   4           1HD      ARG   4  -2.739   1.949  -2.896
   25    HE   ARG   4           HE       ARG   4  -5.047   1.137  -4.458
   26   HH11  ARG   4          1HH1      ARG   4  -2.513   3.593  -3.971
   27   HH12  ARG   4          2HH1      ARG   4  -2.505   4.069  -5.597
   28   HH21  ARG   4          1HH2      ARG   4  -4.976   1.805  -6.681
   29   HH22  ARG   4          2HH2      ARG   4  -3.887   3.053  -7.156
   30    H    CYS   5           H        CYS   5  -1.051  -3.044  -3.587
   31    HA   CYS   5           HA       CYS   5   0.192  -2.506  -0.996
   32    HB2  CYS   5           2HB      CYS   5   1.023  -4.577  -2.982
   33    HB3  CYS   5           1HB      CYS   5   1.693  -4.312  -1.387
   34    H    VAL   6           H        VAL   6   1.741  -1.257  -0.944
   35    HA   VAL   6           HA       VAL   6   2.887  -0.239  -3.463
   36    HB   VAL   6           HB       VAL   6   2.397   1.326  -0.917
   37   HG11  VAL   6          1HG1      VAL   6   3.039   3.292  -2.225
   38   HG12  VAL   6          2HG1      VAL   6   3.422   2.255  -3.596
   39   HG13  VAL   6          3HG1      VAL   6   4.360   2.131  -2.107
   40   HG21  VAL   6          3HG2      VAL   6   0.698   2.549  -2.207
   41   HG22  VAL   6          1HG2      VAL   6   0.305   0.836  -2.080
   42   HG23  VAL   6          2HG2      VAL   6   0.974   1.476  -3.581
   43    H    CYS   7           H        CYS   7   4.971  -0.824  -3.624
   44    HA   CYS   7           HA       CYS   7   6.472  -1.350  -1.217
   45    HB2  CYS   7           2HB      CYS   7   7.156  -1.748  -4.105
   46    HB3  CYS   7           1HB      CYS   7   8.398  -1.668  -2.857
   47    H    ARG   8           H        ARG   8   7.644  -0.348  -0.201
   48    HA   ARG   8           HA       ARG   8   8.905   2.072  -1.261
   49    HB2  ARG   8           2HB      ARG   8   7.063   2.729   0.231
   50    HB3  ARG   8           1HB      ARG   8   7.708   1.685   1.492
   51    HG2  ARG   8           2HG      ARG   8   9.721   3.051   1.603
   52    HG3  ARG   8           1HG      ARG   8   9.082   4.109   0.348
   53    HD2  ARG   8           2HD      ARG   8   7.141   4.615   1.784
   54    HD3  ARG   8           1HD      ARG   8   7.847   3.614   3.053
   55    HE   ARG   8           HE       ARG   8   9.781   5.418   2.421
   56   HH11  ARG   8          1HH1      ARG   8   6.418   5.674   3.518
   57   HH12  ARG   8          2HH1      ARG   8   6.672   7.120   4.392
   58   HH21  ARG   8          1HH2      ARG   8  10.094   7.454   3.553
   59   HH22  ARG   8          2HH2      ARG   8   8.803   8.167   4.387
   60    H    ARG   9           H        ARG   9  10.937   1.555  -1.371
   61    HA   ARG   9           HA       ARG   9  12.985   0.792  -0.959
   62    HB2  ARG   9           2HB      ARG   9  12.709   2.225   1.066
   63    HB3  ARG   9           1HB      ARG   9  12.118   0.838   1.956
   64    HG2  ARG   9           2HG      ARG   9  14.440   1.224   2.526
   65    HG3  ARG   9           1HG      ARG   9  14.344  -0.249   1.566
   66    HD2  ARG   9           2HD      ARG   9  14.912   1.107  -0.455
   67    HD3  ARG   9           1HD      ARG   9  15.161   2.481   0.629
   68    HE   ARG   9           HE       ARG   9  16.635   0.187   1.385
   69   HH11  ARG   9          1HH1      ARG   9  16.693   3.024  -0.727
   70   HH12  ARG   9          2HH1      ARG   9  18.370   2.986  -0.975
   71   HH21  ARG   9          1HH2      ARG   9  18.941   0.128   1.060
   72   HH22  ARG   9          2HH2      ARG   9  19.689   1.304   0.097
   73    H    GLY  10           H        GLY  10  11.045  -0.970  -1.702
   74    HA2  GLY  10           2HA      GLY  10  11.062  -3.225  -2.213
   75    HA3  GLY  10           1HA      GLY  10  12.243  -3.482  -0.943
   76    H    VAL  11           H        VAL  11  10.073  -1.824   0.683
   77    HA   VAL  11           HA       VAL  11   8.763  -4.267   1.573
   78    HB   VAL  11           HB       VAL  11   8.924  -1.556   2.919
   79   HG11  VAL  11          1HG1      VAL  11   8.062  -2.698   4.911
   80   HG12  VAL  11          2HG1      VAL  11   7.898  -4.192   3.990
   81   HG13  VAL  11          3HG1      VAL  11   6.913  -2.789   3.572
   82   HG21  VAL  11          3HG2      VAL  11  10.415  -4.118   3.482
   83   HG22  VAL  11          1HG2      VAL  11  10.486  -2.661   4.472
   84   HG23  VAL  11          2HG2      VAL  11  11.099  -2.638   2.818
   85    H    CYS  12           H        CYS  12   6.917  -4.622   0.559
   86    HA   CYS  12           HA       CYS  12   5.249  -2.429  -0.249
   87    HB2  CYS  12           2HB      CYS  12   5.139  -5.370  -0.653
   88    HB3  CYS  12           1HB      CYS  12   3.647  -4.464  -0.784
   89    H    ARG  13           H        ARG  13   3.942  -1.507   0.738
   90    HA   ARG  13           HA       ARG  13   2.877  -2.593   3.248
   91    HB2  ARG  13           2HB      ARG  13   2.812   0.228   2.148
   92    HB3  ARG  13           1HB      ARG  13   2.305  -0.260   3.758
   93    HG2  ARG  13           2HG      ARG  13   4.599  -0.892   4.297
   94    HG3  ARG  13           1HG      ARG  13   5.111  -0.402   2.678
   95    HD2  ARG  13           2HD      ARG  13   4.331   1.881   3.157
   96    HD3  ARG  13           1HD      ARG  13   3.895   1.372   4.787
   97    HE   ARG  13           HE       ARG  13   6.642   0.895   4.040
   98   HH11  ARG  13          1HH1      ARG  13   4.378   3.150   5.536
   99   HH12  ARG  13          2HH1      ARG  13   5.540   3.951   6.478
  100   HH21  ARG  13          1HH2      ARG  13   8.270   1.996   5.265
  101   HH22  ARG  13          2HH2      ARG  13   7.877   3.259   6.322
  102    H    CYS  14           H        CYS  14   0.892  -3.457   3.059
  103    HA   CYS  14           HA       CYS  14  -0.696  -2.685   0.753
  104    HB2  CYS  14           2HB      CYS  14  -1.158  -4.954   2.649
  105    HB3  CYS  14           1HB      CYS  14  -2.001  -4.670   1.147
  106    H    VAL  15           H        VAL  15  -2.378  -1.669   0.844
  107    HA   VAL  15           HA       VAL  15  -3.597  -0.892   3.416
  108    HB   VAL  15           HB       VAL  15  -3.502   0.717   0.838
  109   HG11  VAL  15          1HG1      VAL  15  -4.334   2.574   2.205
  110   HG12  VAL  15          2HG1      VAL  15  -4.463   1.481   3.581
  111   HG13  VAL  15          3HG1      VAL  15  -5.459   1.215   2.149
  112   HG21  VAL  15          3HG2      VAL  15  -1.265   0.613   1.802
  113   HG22  VAL  15          1HG2      VAL  15  -1.898   1.134   3.364
  114   HG23  VAL  15          2HG2      VAL  15  -1.937   2.232   1.987
  115    H    CYS  16           H        CYS  16  -5.714  -1.514   3.527
  116    HA   CYS  16           HA       CYS  16  -6.970  -2.203   0.995
  117    HB2  CYS  16           2HB      CYS  16  -7.414  -3.410   3.721
  118    HB3  CYS  16           1HB      CYS  16  -8.434  -3.729   2.317
  119    H    ARG  17           H        ARG  17  -8.840  -1.314   0.512
  120    HA   ARG  17           HA       ARG  17 -10.603  -0.171   2.469
  121    HB2  ARG  17           2HB      ARG  17 -10.559   2.123   1.615
  122    HB3  ARG  17           1HB      ARG  17  -9.022   1.662   2.327
  123    HG2  ARG  17           2HG      ARG  17  -8.110   1.287   0.074
  124    HG3  ARG  17           1HG      ARG  17  -9.666   1.787  -0.603
  125    HD2  ARG  17           2HD      ARG  17  -7.970   3.599  -0.593
  126    HD3  ARG  17           1HD      ARG  17  -9.415   3.997   0.337
  127    HE   ARG  17           HE       ARG  17  -7.834   3.012   2.234
  128   HH11  ARG  17          1HH1      ARG  17  -7.098   5.314  -0.311
  129   HH12  ARG  17          2HH1      ARG  17  -5.997   6.225   0.601
  130   HH21  ARG  17          1HH2      ARG  17  -6.338   4.225   3.538
  131   HH22  ARG  17          2HH2      ARG  17  -5.564   5.590   2.869
  132    H    ARG  18           H        ARG  18 -12.615   0.038   1.738
  133    HA   ARG  18           HA       ARG  18 -14.447  -0.167   0.437
  134    HB2  ARG  18           2HB      ARG  18 -13.407   1.798  -0.631
  135    HB3  ARG  18           1HB      ARG  18 -12.552   0.757  -1.743
  136    HG2  ARG  18           2HG      ARG  18 -14.670   0.123  -2.777
  137    HG3  ARG  18           1HG      ARG  18 -15.558   1.080  -1.585
  138    HD2  ARG  18           2HD      ARG  18 -13.570   2.116  -3.592
  139    HD3  ARG  18           1HD      ARG  18 -15.318   2.345  -3.647
  140    HE   ARG  18           HE       ARG  18 -15.015   3.518  -1.452
  141   HH11  ARG  18          1HH1      ARG  18 -12.482   3.553  -3.942
  142   HH12  ARG  18          2HH1      ARG  18 -11.744   4.973  -3.391
  143   HH21  ARG  18          1HH2      ARG  18 -13.956   5.475  -0.677
  144   HH22  ARG  18          2HH2      ARG  18 -12.580   6.080  -1.491