*HEADER    CELL ADHESION                           19-APR-13   2M79              
*TITLE     [ASP2,11]RTD-1                                                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: [ASP2,11]RTD-1;                                            
*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, INTEGRIN-     
*KEYWDS   2 BINDING, CELL ADHESION                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.C.CONIBEAR, A.BOCHEN, K.ROSENGREN, H.KESSLER, D.J.CRAIK             
*REVDAT   1   05-FEB-14 2M79    0                                                


! H proton - H proton
assign (resid  17 and name   HN)   (resid  17 and name   HB)   2.440    0.640    0.640  
assign (resid  18 and name   HN)   (resid  18 and name   HA)   2.240    0.440    0.440  
assign (resid  18 and name   HN)   (resid  18 and name  HB1)   2.890    1.090    1.090  
assign (resid  18 and name   HN)   (resid  18 and name  HB2)   2.875    1.075    1.075  
assign (resid   9 and name   HN)   (resid   9 and name   HA)   2.240    0.440    0.440  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.795    0.995    0.995  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.485    0.685    0.685  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.860    1.060    1.060  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.470    0.670    0.670  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.750    0.950    0.950  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.675    0.875    0.875  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.970    1.170    1.170  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.690    0.890    0.890  
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.690    0.890    0.890  
assign (resid  11 and name   HN)   (resid  11 and name  HB1)   2.675    0.875    0.875  
assign (resid  11 and name   HN)   (resid  11 and name  HB2)   2.675    0.875    0.875  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.660    0.860    0.860  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.955    1.155    1.155  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.795    0.995    0.995  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.425    0.625    0.625  
assign (resid  15 and name   HN)   (resid  15 and name   HB)   2.640    0.840    0.840  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.735    0.935    0.935  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.530    0.730    0.730  
assign (resid   1 and name   HN)   (resid  18 and name   HA)   2.530    0.730    0.730  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.395    0.595    0.595  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.395    0.595    0.595  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.335    0.535    0.535  
assign (resid   3 and name  HB2)   (resid   4 and name   HN)   2.845    1.045    1.045  
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   2.660    0.860    0.860  
assign (resid   4 and name   HN)   (resid  16 and name   HA)   2.315    0.515    0.515  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.145    0.345    0.345  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   3.515    1.715    1.715  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.240    0.440    0.440  
assign (resid   5 and name  HB2)   (resid   6 and name   HN)   2.850    1.050    1.050  
assign (resid   5 and name  HB1)   (resid   6 and name   HN)   2.485    0.685    0.685  
assign (resid   6 and name   HN)   (resid  14 and name   HA)   2.270    0.470    0.470  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.130    0.330    0.330  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.285    0.485    0.485  
assign (resid   7 and name  HB1)   (resid   8 and name   HN)   2.690    0.890    0.890  
assign (resid   8 and name   HN)   (resid  11 and name   HN)   2.580    0.780    0.780  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.285    0.485    0.485  
assign (resid   1 and name   HN)   (resid  18 and name   HN)   2.550    0.750    0.750  
assign (resid   2 and name   HN)   (resid  17 and name   HN)   2.455    0.655    0.655  
assign (resid   3 and name   HA)   (resid  16 and name   HA)   2.270    0.220    0.470  
assign (resid   3 and name   HA)   (resid  17 and name   HN)   2.435    0.635    0.635  
assign (resid   5 and name   HA)   (resid  15 and name   HN)   2.350    0.550    0.550  
assign (resid   7 and name   HA)   (resid  13 and name   HN)   2.270    0.470    0.470  
assign (resid   7 and name   HA)   (resid  12 and name   HA)   2.255    0.205    0.455 
assign (resid   8 and name   HN)   (resid  12 and name   HA)   2.640    0.840    0.840  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.625    0.825    0.825  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.190    1.390    1.390  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.470    0.670    0.670  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.365    0.565    0.565  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.335    0.535    0.535  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   2.780    0.980    0.980  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   2.550    0.750    0.750  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.145    0.345    0.345  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   3.500    1.700    1.700  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.335    0.535    0.535  
assign (resid  14 and name  HB1)   (resid  15 and name   HN)   2.815    1.015    1.015  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.380    0.580    0.580  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   2.610    0.810    0.810  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.300    0.500    0.500  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.270    0.470    0.470  
assign (resid  17 and name   HB)   (resid  18 and name   HN)   2.830    1.030    1.030  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   2.830    1.030    1.030  
assign (resid  18 and name   HA)   (resid  18 and name  HB1)   2.380    0.580    0.580  
assign (resid  18 and name   HN)   (resid  18 and name  HD#)   4.090    2.290    2.290  
assign (resid  18 and name   HN)   (resid  18 and name  HG#)   3.810    2.010    2.010  
assign (resid   9 and name   HN)   (resid   9 and name  HD#)   4.090    2.290    2.290  
assign (resid   9 and name   HN)   (resid   9 and name  HG#)   3.675    1.875    1.875  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   4.090    2.290    2.290  
assign (resid   8 and name   HN)   (resid   8 and name  HG2)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid   8 and name  HG1)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   4.090    2.290    2.290  
assign (resid   4 and name   HN)   (resid   4 and name  HG1)   3.650    1.850    1.850  
assign (resid   4 and name   HN)   (resid   4 and name  HG2)   3.650    1.850    1.850  
assign (resid  13 and name   HN)   (resid  13 and name  HD#)   4.090    2.290    2.290  
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   3.380    1.580    1.580  
assign (resid  15 and name   HN)   (resid  15 and name HG1#)   4.090    2.290    2.290  
assign (resid  18 and name   HA)   (resid  18 and name   HE)   3.650    1.850    1.850  
assign (resid   9 and name   HA)   (resid   9 and name   HE)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   8 and name   HE)   3.650    1.850    1.850  
assign (resid   4 and name   HA)   (resid   4 and name   HE)   3.650    1.850    1.850  
assign (resid  13 and name   HA)   (resid  13 and name   HE)   3.650    1.850    1.850  
assign (resid   1 and name   HN)   (resid  18 and name  HB1)   3.185    1.385    1.385  
assign (resid  13 and name  HG#)   (resid  14 and name   HN)   4.090    2.290    2.290  
assign (resid   1 and name   HN)   (resid  18 and name  HB2)   2.830    1.030    1.030  
assign (resid   6 and name   HN)   (resid   6 and name   HG)   3.555    1.755    1.755  
assign (resid  17 and name   HN)   (resid  17 and name HG2#)   4.160    2.360    2.360  
assign (resid  15 and name   HN)   (resid  15 and name HG2#)   4.160    2.360    2.360  
assign (resid  15 and name HG2#)   (resid  16 and name   HN)   4.160    2.360    2.360  
assign (resid  15 and name   HN)   (resid  15 and name HD1#)   4.160    2.360    2.360  
assign (resid   6 and name   HN)   (resid   6 and name  HD#)   4.700    2.900    2.900  
assign (resid  15 and name HD1#)   (resid  16 and name   HN)   4.160    2.360    2.360  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.415    0.615    0.615  
assign (resid   2 and name  HB#)   (resid  17 and name   HN)   3.120    1.320    1.320  
assign (resid   4 and name   HN)   (resid   4 and name  HG#)   3.250    1.450    1.450  
assign (resid   4 and name  HG#)   (resid   5 and name   HN)   3.440    1.640    1.640  
assign (resid  10 and name   HN)   (resid  10 and name  HA#)   2.180    0.380    0.380  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.450    0.650    0.650  
assign (resid   5 and name   HA)   (resid  14 and name   HA)   2.255    0.205  100.000
!
!Dihedral angles
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -94.8   48.2 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  120.4   37.5 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -132.7   48.2 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  150.3   32.2 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 -128.4   34.4 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  137.4   34.4 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -126.9   47.1 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  137.9   31.7 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 -127.5   24.9 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  127.8   33.8 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -122.9   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  137.9   18.0 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  -94.7   53.8 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  138.6   37.7 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0   50.0   40.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0  -60.0   30.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0   86.2   33.6 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0    2.2   38.6 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -97.1   61.2 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  116.4   34.0 2      
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -124.9   42.4 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  145.3   24.2 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 -126.5   41.4 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  141.6   22.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -133.9   44.8 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  143.9   36.4 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 -130.0   26.9 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  130.3   36.8 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -130.2   32.8 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  134.8   24.5 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 -111.4   46.6 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  129.4   27.8 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0   50.0   40.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG   )    1.0  -60.0   30.0 2
!
!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 -10.462  -0.529   1.616
    2    HA2  GLY   1           2HA      GLY   1 -11.060  -2.766   2.128
    3    HA3  GLY   1           1HA      GLY   1 -12.624  -2.491   1.372
    4    H    ASP   2           H        ASP   2 -10.554  -1.126  -0.670
    5    HA   ASP   2           HA       ASP   2 -10.425  -3.448  -2.425
    6    HB2  ASP   2           2HB      ASP   2 -11.354  -1.332  -3.296
    7    HB3  ASP   2           1HB      ASP   2  -9.874  -0.498  -2.860
    8    H    CYS   3           H        CYS   3  -8.611  -4.612  -2.162
    9    HA   CYS   3           HA       CYS   3  -6.309  -3.206  -1.135
   10    HB2  CYS   3           2HB      CYS   3  -6.754  -6.152  -1.333
   11    HB3  CYS   3           1HB      CYS   3  -5.358  -5.386  -0.606
   12    H    ARG   4           H        ARG   4  -4.603  -2.889  -2.098
   13    HA   ARG   4           HA       ARG   4  -4.025  -4.207  -4.689
   14    HB2  ARG   4           2HB      ARG   4  -3.713  -1.225  -4.181
   15    HB3  ARG   4           1HB      ARG   4  -3.286  -2.063  -5.667
   16    HG2  ARG   4           2HG      ARG   4  -6.072  -1.827  -4.543
   17    HG3  ARG   4           1HG      ARG   4  -5.411  -0.838  -5.843
   18    HD2  ARG   4           2HD      ARG   4  -5.322  -2.662  -7.323
   19    HD3  ARG   4           1HD      ARG   4  -5.474  -3.839  -6.021
   20    HE   ARG   4           HE       ARG   4  -7.741  -2.295  -5.939
   21   HH11  ARG   4          1HH1      ARG   4  -6.236  -4.383  -8.370
   22   HH12  ARG   4          2HH1      ARG   4  -7.698  -5.039  -8.921
   23   HH21  ARG   4          1HH2      ARG   4  -9.712  -3.217  -6.637
   24   HH22  ARG   4          2HH2      ARG   4  -9.764  -4.356  -7.915
   25    H    CYS   5           H        CYS   5  -1.882  -4.715  -4.990
   26    HA   CYS   5           HA       CYS   5  -0.225  -4.076  -2.700
   27    HB2  CYS   5           2HB      CYS   5   0.226  -6.231  -4.723
   28    HB3  CYS   5           1HB      CYS   5   1.159  -5.959  -3.269
   29    H    LEU   6           H        LEU   6   1.486  -3.010  -2.781
   30    HA   LEU   6           HA       LEU   6   2.505  -2.123  -5.403
   31    HB2  LEU   6           2HB      LEU   6   1.882  -0.293  -3.073
   32    HB3  LEU   6           1HB      LEU   6   2.584   0.189  -4.601
   33    HG   LEU   6           HG       LEU   6  -0.227  -0.872  -4.250
   34   HD11  LEU   6          1HD1      LEU   6  -0.940   1.418  -4.675
   35   HD12  LEU   6          2HD1      LEU   6   0.741   1.942  -4.705
   36   HD13  LEU   6          3HD1      LEU   6   0.039   1.308  -3.211
   37   HD21  LEU   6          3HD2      LEU   6   1.129   0.363  -6.645
   38   HD22  LEU   6          1HD2      LEU   6  -0.566  -0.109  -6.549
   39   HD23  LEU   6          2HD2      LEU   6   0.694  -1.340  -6.468
   40    H    CYS   7           H        CYS   7   4.734  -1.247  -5.191
   41    HA   CYS   7           HA       CYS   7   5.898  -2.099  -2.676
   42    HB2  CYS   7           2HB      CYS   7   7.267  -2.105  -5.389
   43    HB3  CYS   7           1HB      CYS   7   8.024  -2.565  -3.867
   44    H    ARG   8           H        ARG   8   6.887  -0.664  -1.519
   45    HA   ARG   8           HA       ARG   8   7.311   1.963  -2.733
   46    HB2  ARG   8           2HB      ARG   8   5.519   1.974  -1.082
   47    HB3  ARG   8           1HB      ARG   8   6.575   1.233   0.107
   48    HG2  ARG   8           2HG      ARG   8   6.351   3.579   0.593
   49    HG3  ARG   8           1HG      ARG   8   7.999   3.259   0.058
   50    HD2  ARG   8           2HD      ARG   8   7.345   4.017  -2.217
   51    HD3  ARG   8           1HD      ARG   8   5.762   4.448  -1.563
   52    HE   ARG   8           HE       ARG   8   7.786   5.644  -0.043
   53   HH11  ARG   8          1HH1      ARG   8   6.139   5.958  -3.151
   54   HH12  ARG   8          2HH1      ARG   8   6.566   7.597  -3.363
   55   HH21  ARG   8          1HH2      ARG   8   8.327   7.910  -0.331
   56   HH22  ARG   8          2HH2      ARG   8   7.786   8.726  -1.729
   57    H    ARG   9           H        ARG   9   9.395   1.876  -3.268
   58    HA   ARG   9           HA       ARG   9  11.623   2.177  -3.076
   59    HB2  ARG   9           2HB      ARG   9  11.014   2.449  -0.155
   60    HB3  ARG   9           1HB      ARG   9  12.556   2.882  -0.887
   61    HG2  ARG   9           2HG      ARG   9   9.893   4.179  -1.501
   62    HG3  ARG   9           1HG      ARG   9  11.152   4.865  -0.477
   63    HD2  ARG   9           2HD      ARG   9  11.448   4.210  -3.418
   64    HD3  ARG   9           1HD      ARG   9  11.158   5.812  -2.746
   65    HE   ARG   9           HE       ARG   9  13.298   5.417  -1.497
   66   HH11  ARG   9          1HH1      ARG   9  12.728   4.161  -4.777
   67   HH12  ARG   9          2HH1      ARG   9  14.374   4.127  -5.197
   68   HH21  ARG   9          1HH2      ARG   9  15.561   5.383  -2.105
   69   HH22  ARG   9          2HH2      ARG   9  16.046   4.817  -3.627
   70    H    GLY  10           H        GLY  10  10.366  -0.466  -2.684
   71    HA2  GLY  10           2HA      GLY  10  11.855  -2.425  -2.928
   72    HA3  GLY  10           1HA      GLY  10  12.726  -1.822  -1.524
   73    H    ASP  11           H        ASP  11  10.020  -1.054  -0.360
   74    HA   ASP  11           HA       ASP  11   9.573  -3.660   0.860
   75    HB2  ASP  11           2HB      ASP  11   9.781  -1.727   2.371
   76    HB3  ASP  11           1HB      ASP  11   8.418  -0.956   1.556
   77    H    CYS  12           H        CYS  12   8.274  -4.900  -0.290
   78    HA   CYS  12           HA       CYS  12   6.010  -3.689  -1.584
   79    HB2  CYS  12           2HB      CYS  12   6.744  -6.553  -1.410
   80    HB3  CYS  12           1HB      CYS  12   5.501  -5.872  -2.427
   81    H    ARG  13           H        ARG  13   4.222  -3.579  -0.955
   82    HA   ARG  13           HA       ARG  13   3.342  -4.958   1.492
   83    HB2  ARG  13           2HB      ARG  13   4.541  -2.744   1.976
   84    HB3  ARG  13           1HB      ARG  13   3.180  -1.963   1.200
   85    HG2  ARG  13           2HG      ARG  13   2.895  -1.886   3.576
   86    HG3  ARG  13           1HG      ARG  13   1.685  -2.969   2.886
   87    HD2  ARG  13           2HD      ARG  13   2.724  -3.863   4.952
   88    HD3  ARG  13           1HD      ARG  13   2.960  -4.905   3.556
   89    HE   ARG  13           HE       ARG  13   5.198  -3.396   3.559
   90   HH11  ARG  13          1HH1      ARG  13   3.653  -5.254   6.184
   91   HH12  ARG  13          2HH1      ARG  13   5.144  -5.677   6.898
   92   HH21  ARG  13          1HH2      ARG  13   7.201  -4.015   4.579
   93   HH22  ARG  13          2HH2      ARG  13   7.162  -4.976   5.989
   94    H    CYS  14           H        CYS  14   1.032  -5.003   1.645
   95    HA   CYS  14           HA       CYS  14  -0.201  -4.043  -0.773
   96    HB2  CYS  14           2HB      CYS  14  -1.171  -6.221   1.082
   97    HB3  CYS  14           1HB      CYS  14  -2.011  -5.695  -0.376
   98    H    ILE  15           H        ILE  15  -1.454  -2.381  -0.697
   99    HA   ILE  15           HA       ILE  15  -2.265  -1.444   1.936
  100    HB   ILE  15           HB       ILE  15  -0.772   0.089   0.734
  101   HG12  ILE  15          2HG1      ILE  15  -2.207   2.151   0.693
  102   HG13  ILE  15          1HG1      ILE  15  -3.611   1.115   0.892
  103   HG21  ILE  15          1HG2      ILE  15  -1.197  -0.528  -1.546
  104   HG22  ILE  15          2HG2      ILE  15  -1.446   1.205  -1.349
  105   HG23  ILE  15          3HG2      ILE  15  -2.834   0.121  -1.459
  106   HD11  ILE  15          3HD1      ILE  15  -2.759   0.365   3.048
  107   HD12  ILE  15          1HD1      ILE  15  -2.934   2.118   2.997
  108   HD13  ILE  15          2HD1      ILE  15  -1.336   1.383   2.842
  109    H    CYS  16           H        CYS  16  -4.385  -1.098   2.336
  110    HA   CYS  16           HA       CYS  16  -6.146  -1.785   0.146
  111    HB2  CYS  16           2HB      CYS  16  -6.648  -2.143   3.104
  112    HB3  CYS  16           1HB      CYS  16  -7.769  -2.579   1.820
  113    H    THR  17           H        THR  17  -7.528  -0.355  -0.524
  114    HA   THR  17           HA       THR  17  -7.955   2.039   1.158
  115    HB   THR  17           HB       THR  17  -8.221   1.998  -1.797
  116    HG1  THR  17           1HG      THR  17  -6.114   1.640  -1.822
  117   HG21  THR  17          3HG2      THR  17  -7.706   4.413  -1.567
  118   HG22  THR  17          1HG2      THR  17  -7.568   4.194   0.175
  119   HG23  THR  17          2HG2      THR  17  -9.114   3.929  -0.626
  120    H    ARG  18           H        ARG  18  -9.978   2.150   1.757
  121    HA   ARG  18           HA       ARG  18 -12.236   1.882   1.981
  122    HB2  ARG  18           2HB      ARG  18 -12.133   1.802  -1.022
  123    HB3  ARG  18           1HB      ARG  18 -13.581   2.054  -0.052
  124    HG2  ARG  18           2HG      ARG  18 -12.742   4.150   0.765
  125    HG3  ARG  18           1HG      ARG  18 -11.193   3.883  -0.038
  126    HD2  ARG  18           2HD      ARG  18 -12.296   3.945  -2.204
  127    HD3  ARG  18           1HD      ARG  18 -13.858   4.185  -1.423
  128    HE   ARG  18           HE       ARG  18 -12.396   6.204  -0.456
  129   HH11  ARG  18          1HH1      ARG  18 -12.968   5.121  -3.783
  130   HH12  ARG  18          2HH1      ARG  18 -12.868   6.673  -4.458
  131   HH21  ARG  18          1HH2      ARG  18 -12.258   8.343  -1.398
  132   HH22  ARG  18          2HH2      ARG  18 -12.434   8.545  -3.070
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -11.396  -1.164   1.228
    2    HA2  GLY   1           2HA      GLY   1 -11.974  -3.489   1.274
    3    HA3  GLY   1           1HA      GLY   1 -13.283  -3.139   0.146
    4    H    ASP   2           H        ASP   2 -10.966  -1.431  -1.167
    5    HA   ASP   2           HA       ASP   2 -10.204  -3.581  -2.980
    6    HB2  ASP   2           2HB      ASP   2 -11.072  -1.456  -3.956
    7    HB3  ASP   2           1HB      ASP   2  -9.757  -0.591  -3.168
    8    H    CYS   3           H        CYS   3  -8.421  -4.622  -2.382
    9    HA   CYS   3           HA       CYS   3  -6.487  -3.053  -0.980
   10    HB2  CYS   3           2HB      CYS   3  -6.574  -6.030  -1.388
   11    HB3  CYS   3           1HB      CYS   3  -5.357  -5.165  -0.471
   12    H    ARG   4           H        ARG   4  -4.645  -2.606  -1.669
   13    HA   ARG   4           HA       ARG   4  -3.863  -3.569  -4.306
   14    HB2  ARG   4           2HB      ARG   4  -3.221  -1.234  -4.937
   15    HB3  ARG   4           1HB      ARG   4  -4.954  -1.491  -4.793
   16    HG2  ARG   4           2HG      ARG   4  -4.789  -0.482  -2.492
   17    HG3  ARG   4           1HG      ARG   4  -3.120  -0.057  -2.887
   18    HD2  ARG   4           2HD      ARG   4  -4.591   1.831  -3.308
   19    HD3  ARG   4           1HD      ARG   4  -3.922   1.231  -4.825
   20    HE   ARG   4           HE       ARG   4  -6.339  -0.074  -4.464
   21   HH11  ARG   4          1HH1      ARG   4  -5.359   3.324  -4.842
   22   HH12  ARG   4          2HH1      ARG   4  -6.783   3.778  -5.644
   23   HH21  ARG   4          1HH2      ARG   4  -8.186   0.497  -5.500
   24   HH22  ARG   4          2HH2      ARG   4  -8.500   2.094  -6.052
   25    H    CYS   5           H        CYS   5  -1.793  -4.069  -4.455
   26    HA   CYS   5           HA       CYS   5  -0.216  -3.382  -2.139
   27    HB2  CYS   5           2HB      CYS   5   0.267  -5.590  -4.107
   28    HB3  CYS   5           1HB      CYS   5   1.225  -5.277  -2.674
   29    H    LEU   6           H        LEU   6   1.515  -2.292  -2.266
   30    HA   LEU   6           HA       LEU   6   2.406  -1.500  -4.942
   31    HB2  LEU   6           2HB      LEU   6   2.833   0.771  -4.237
   32    HB3  LEU   6           1HB      LEU   6   1.157   0.382  -3.945
   33    HG   LEU   6           HG       LEU   6   3.255   0.417  -1.756
   34   HD11  LEU   6          1HD1      LEU   6   3.090   2.624  -2.782
   35   HD12  LEU   6          2HD1      LEU   6   2.377   2.624  -1.170
   36   HD13  LEU   6          3HD1      LEU   6   1.337   2.596  -2.595
   37   HD21  LEU   6          3HD2      LEU   6   0.235   0.514  -1.680
   38   HD22  LEU   6          1HD2      LEU   6   1.299   0.649  -0.279
   39   HD23  LEU   6          2HD2      LEU   6   1.244  -0.851  -1.199
   40    H    CYS   7           H        CYS   7   4.593  -1.197  -5.216
   41    HA   CYS   7           HA       CYS   7   6.087  -2.130  -2.947
   42    HB2  CYS   7           2HB      CYS   7   6.793  -2.377  -5.887
   43    HB3  CYS   7           1HB      CYS   7   7.848  -2.860  -4.569
   44    H    ARG   8           H        ARG   8   7.616  -0.819  -2.126
   45    HA   ARG   8           HA       ARG   8   8.341   1.590  -3.614
   46    HB2  ARG   8           2HB      ARG   8   6.307   1.886  -2.074
   47    HB3  ARG   8           1HB      ARG   8   7.418   1.611  -0.747
   48    HG2  ARG   8           2HG      ARG   8   7.120   3.954  -0.999
   49    HG3  ARG   8           1HG      ARG   8   8.748   3.555  -1.565
   50    HD2  ARG   8           2HD      ARG   8   7.965   3.584  -3.872
   51    HD3  ARG   8           1HD      ARG   8   6.327   3.911  -3.314
   52    HE   ARG   8           HE       ARG   8   8.269   5.818  -2.449
   53   HH11  ARG   8          1HH1      ARG   8   6.109   4.895  -5.109
   54   HH12  ARG   8          2HH1      ARG   8   5.948   6.466  -5.723
   55   HH21  ARG   8          1HH2      ARG   8   8.089   8.010  -3.335
   56   HH22  ARG   8          2HH2      ARG   8   7.113   8.259  -4.707
   57    H    ARG   9           H        ARG   9  10.533   1.700  -3.481
   58    HA   ARG   9           HA       ARG   9  12.669   1.689  -2.675
   59    HB2  ARG   9           2HB      ARG   9  11.265   1.429  -0.052
   60    HB3  ARG   9           1HB      ARG   9  13.004   1.603  -0.182
   61    HG2  ARG   9           2HG      ARG   9  12.688   3.768  -1.271
   62    HG3  ARG   9           1HG      ARG   9  10.938   3.569  -1.120
   63    HD2  ARG   9           2HD      ARG   9  11.886   5.002   0.646
   64    HD3  ARG   9           1HD      ARG   9  11.110   3.554   1.292
   65    HE   ARG   9           HE       ARG   9  13.776   2.932   0.955
   66   HH11  ARG   9          1HH1      ARG   9  11.955   5.282   2.886
   67   HH12  ARG   9          2HH1      ARG   9  13.094   5.288   4.154
   68   HH21  ARG   9          1HH2      ARG   9  15.262   2.932   2.697
   69   HH22  ARG   9          2HH2      ARG   9  14.992   3.927   4.059
   70    H    GLY  10           H        GLY  10  11.136  -0.823  -3.235
   71    HA2  GLY  10           2HA      GLY  10  12.088  -2.968  -3.552
   72    HA3  GLY  10           1HA      GLY  10  13.216  -2.629  -2.247
   73    H    ASP  11           H        ASP  11  10.509  -1.581  -0.982
   74    HA   ASP  11           HA       ASP  11   9.924  -4.126   0.330
   75    HB2  ASP  11           2HB      ASP  11  10.569  -2.340   1.843
   76    HB3  ASP  11           1HB      ASP  11   9.400  -1.249   1.111
   77    H    CYS  12           H        CYS  12   8.137  -5.154  -0.358
   78    HA   CYS  12           HA       CYS  12   6.103  -3.516  -1.609
   79    HB2  CYS  12           2HB      CYS  12   6.286  -6.496  -1.521
   80    HB3  CYS  12           1HB      CYS  12   5.088  -5.568  -2.388
   81    H    ARG  13           H        ARG  13   4.352  -3.174  -0.868
   82    HA   ARG  13           HA       ARG  13   3.542  -4.482   1.641
   83    HB2  ARG  13           2HB      ARG  13   5.027  -2.506   2.093
   84    HB3  ARG  13           1HB      ARG  13   3.781  -1.490   1.394
   85    HG2  ARG  13           2HG      ARG  13   2.342  -1.815   3.179
   86    HG3  ARG  13           1HG      ARG  13   3.170  -3.286   3.704
   87    HD2  ARG  13           2HD      ARG  13   4.276  -0.480   3.828
   88    HD3  ARG  13           1HD      ARG  13   3.713  -1.453   5.195
   89    HE   ARG  13           HE       ARG  13   6.046  -2.171   3.511
   90   HH11  ARG  13          1HH1      ARG  13   4.627  -1.859   6.745
   91   HH12  ARG  13          2HH1      ARG  13   5.857  -2.775   7.488
   92   HH21  ARG  13          1HH2      ARG  13   7.687  -3.419   4.513
   93   HH22  ARG  13          2HH2      ARG  13   7.618  -3.712   6.192
   94    H    CYS  14           H        CYS  14   1.268  -4.192   2.161
   95    HA   CYS  14           HA       CYS  14  -0.135  -3.337  -0.219
   96    HB2  CYS  14           2HB      CYS  14  -0.981  -5.484   1.728
   97    HB3  CYS  14           1HB      CYS  14  -1.873  -4.994   0.293
   98    H    ILE  15           H        ILE  15  -1.925  -2.118  -0.074
   99    HA   ILE  15           HA       ILE  15  -2.735  -1.258   2.612
  100    HB   ILE  15           HB       ILE  15  -1.420   0.577   1.626
  101   HG12  ILE  15          2HG1      ILE  15  -4.393   1.178   1.545
  102   HG13  ILE  15          1HG1      ILE  15  -3.367   1.239   2.971
  103   HG21  ILE  15          1HG2      ILE  15  -1.606  -0.015  -0.714
  104   HG22  ILE  15          2HG2      ILE  15  -2.049   1.674  -0.448
  105   HG23  ILE  15          3HG2      ILE  15  -3.308   0.466  -0.714
  106   HD11  ILE  15          3HD1      ILE  15  -2.123   3.097   1.976
  107   HD12  ILE  15          1HD1      ILE  15  -3.841   3.463   2.128
  108   HD13  ILE  15          2HD1      ILE  15  -3.166   3.027   0.558
  109    H    CYS  16           H        CYS  16  -4.963  -0.996   2.850
  110    HA   CYS  16           HA       CYS  16  -6.450  -1.772   0.487
  111    HB2  CYS  16           2HB      CYS  16  -7.129  -2.405   3.365
  112    HB3  CYS  16           1HB      CYS  16  -8.170  -2.774   1.997
  113    H    THR  17           H        THR  17  -8.148  -0.536  -0.115
  114    HA   THR  17           HA       THR  17  -9.066   1.519   1.757
  115    HB   THR  17           HB       THR  17  -8.484   2.087  -1.103
  116    HG1  THR  17           1HG      THR  17  -6.813   1.984   1.115
  117   HG21  THR  17          3HG2      THR  17  -8.905   3.901   1.276
  118   HG22  THR  17          1HG2      THR  17 -10.050   3.613  -0.032
  119   HG23  THR  17          2HG2      THR  17  -8.538   4.453  -0.356
  120    H    ARG  18           H        ARG  18 -11.131   1.431   1.809
  121    HA   ARG  18           HA       ARG  18 -13.338   0.996   1.466
  122    HB2  ARG  18           2HB      ARG  18 -12.635   1.466  -1.400
  123    HB3  ARG  18           1HB      ARG  18 -14.265   1.464  -0.724
  124    HG2  ARG  18           2HG      ARG  18 -12.074   3.436  -0.093
  125    HG3  ARG  18           1HG      ARG  18 -13.527   3.741  -1.054
  126    HD2  ARG  18           2HD      ARG  18 -14.919   3.358   0.886
  127    HD3  ARG  18           1HD      ARG  18 -13.509   2.937   1.849
  128    HE   ARG  18           HE       ARG  18 -13.314   5.511   0.671
  129   HH11  ARG  18          1HH1      ARG  18 -14.697   3.756   3.400
  130   HH12  ARG  18          2HH1      ARG  18 -14.675   5.101   4.454
  131   HH21  ARG  18          1HH2      ARG  18 -13.279   7.333   2.105
  132   HH22  ARG  18          2HH2      ARG  18 -13.820   7.177   3.701
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -12.089  -0.909  -0.040
    2    HA2  GLY   1           2HA      GLY   1 -12.016  -3.473   1.310
    3    HA3  GLY   1           1HA      GLY   1 -13.399  -3.346   0.236
    4    H    ASP   2           H        ASP   2 -11.093  -1.488  -1.284
    5    HA   ASP   2           HA       ASP   2 -10.382  -3.637  -3.071
    6    HB2  ASP   2           2HB      ASP   2  -9.970  -0.633  -3.199
    7    HB3  ASP   2           1HB      ASP   2  -9.465  -1.760  -4.444
    8    H    CYS   3           H        CYS   3  -8.548  -4.664  -2.502
    9    HA   CYS   3           HA       CYS   3  -6.576  -3.050  -1.147
   10    HB2  CYS   3           2HB      CYS   3  -6.736  -6.031  -1.406
   11    HB3  CYS   3           1HB      CYS   3  -5.411  -5.187  -0.634
   12    H    ARG   4           H        ARG   4  -4.707  -2.649  -1.896
   13    HA   ARG   4           HA       ARG   4  -3.910  -3.780  -4.496
   14    HB2  ARG   4           2HB      ARG   4  -5.051  -1.606  -4.888
   15    HB3  ARG   4           1HB      ARG   4  -3.904  -0.832  -3.820
   16    HG2  ARG   4           2HG      ARG   4  -2.103  -1.230  -5.340
   17    HG3  ARG   4           1HG      ARG   4  -3.132  -2.254  -6.351
   18    HD2  ARG   4           2HD      ARG   4  -3.562   0.687  -5.835
   19    HD3  ARG   4           1HD      ARG   4  -2.854  -0.006  -7.297
   20    HE   ARG   4           HE       ARG   4  -5.199  -1.301  -7.064
   21   HH11  ARG   4          1HH1      ARG   4  -4.371   2.142  -7.199
   22   HH12  ARG   4          2HH1      ARG   4  -5.816   2.623  -7.949
   23   HH21  ARG   4          1HH2      ARG   4  -7.216  -0.633  -8.090
   24   HH22  ARG   4          2HH2      ARG   4  -7.466   0.992  -8.499
   25    H    CYS   5           H        CYS   5  -1.701  -4.127  -4.674
   26    HA   CYS   5           HA       CYS   5  -0.237  -3.306  -2.317
   27    HB2  CYS   5           2HB      CYS   5   0.302  -5.660  -4.097
   28    HB3  CYS   5           1HB      CYS   5   1.220  -5.225  -2.664
   29    H    LEU   6           H        LEU   6   1.672  -2.362  -2.437
   30    HA   LEU   6           HA       LEU   6   2.664  -1.689  -5.118
   31    HB2  LEU   6           2HB      LEU   6   1.232   0.156  -4.297
   32    HB3  LEU   6           1HB      LEU   6   2.227   0.276  -2.863
   33    HG   LEU   6           HG       LEU   6   4.153   0.911  -4.297
   34   HD11  LEU   6          1HD1      LEU   6   3.733   1.590  -6.612
   35   HD12  LEU   6          2HD1      LEU   6   2.093   0.952  -6.491
   36   HD13  LEU   6          3HD1      LEU   6   3.473  -0.134  -6.363
   37   HD21  LEU   6          3HD2      LEU   6   3.364   3.183  -4.777
   38   HD22  LEU   6          1HD2      LEU   6   2.812   2.624  -3.198
   39   HD23  LEU   6          2HD2      LEU   6   1.701   2.641  -4.566
   40    H    CYS   7           H        CYS   7   4.907  -1.448  -5.211
   41    HA   CYS   7           HA       CYS   7   6.243  -2.071  -2.708
   42    HB2  CYS   7           2HB      CYS   7   7.304  -2.510  -5.516
   43    HB3  CYS   7           1HB      CYS   7   8.030  -3.079  -4.016
   44    H    ARG   8           H        ARG   8   7.611  -0.692  -1.874
   45    HA   ARG   8           HA       ARG   8   8.599   1.470  -3.549
   46    HB2  ARG   8           2HB      ARG   8   6.631   2.332  -2.335
   47    HB3  ARG   8           1HB      ARG   8   7.359   1.847  -0.810
   48    HG2  ARG   8           2HG      ARG   8   9.134   3.430  -1.091
   49    HG3  ARG   8           1HG      ARG   8   8.563   3.845  -2.705
   50    HD2  ARG   8           2HD      ARG   8   6.486   4.708  -1.718
   51    HD3  ARG   8           1HD      ARG   8   7.089   4.299  -0.110
   52    HE   ARG   8           HE       ARG   8   8.938   5.932  -1.477
   53   HH11  ARG   8          1HH1      ARG   8   5.772   6.185   0.109
   54   HH12  ARG   8          2HH1      ARG   8   6.007   7.773   0.648
   55   HH21  ARG   8          1HH2      ARG   8   9.249   8.143  -0.755
   56   HH22  ARG   8          2HH2      ARG   8   8.027   8.921   0.133
   57    H    ARG   9           H        ARG   9  10.676   1.705  -3.362
   58    HA   ARG   9           HA       ARG   9  12.836   1.643  -2.698
   59    HB2  ARG   9           2HB      ARG   9  11.740   1.249   0.088
   60    HB3  ARG   9           1HB      ARG   9  13.422   1.570  -0.290
   61    HG2  ARG   9           2HG      ARG   9  12.858   3.768  -1.113
   62    HG3  ARG   9           1HG      ARG   9  11.138   3.443  -0.903
   63    HD2  ARG   9           2HD      ARG   9  13.233   3.633   1.260
   64    HD3  ARG   9           1HD      ARG   9  11.908   4.759   0.966
   65    HE   ARG   9           HE       ARG   9  11.494   1.954   1.768
   66   HH11  ARG   9          1HH1      ARG   9  10.664   5.383   2.190
   67   HH12  ARG   9          2HH1      ARG   9   9.452   5.073   3.345
   68   HH21  ARG   9          1HH2      ARG   9   9.859   1.553   3.322
   69   HH22  ARG   9          2HH2      ARG   9   8.976   2.839   3.992
   70    H    GLY  10           H        GLY  10  11.009  -0.905  -2.930
   71    HA2  GLY  10           2HA      GLY  10  11.999  -3.036  -3.424
   72    HA3  GLY  10           1HA      GLY  10  13.166  -2.742  -2.140
   73    H    ASP  11           H        ASP  11  10.375  -1.651  -0.899
   74    HA   ASP  11           HA       ASP  11   9.820  -4.240   0.337
   75    HB2  ASP  11           2HB      ASP  11  10.454  -2.475   1.916
   76    HB3  ASP  11           1HB      ASP  11   9.171  -1.442   1.299
   77    H    CYS  12           H        CYS  12   7.985  -5.229  -0.219
   78    HA   CYS  12           HA       CYS  12   5.992  -3.604  -1.561
   79    HB2  CYS  12           2HB      CYS  12   6.053  -6.558  -1.287
   80    HB3  CYS  12           1HB      CYS  12   4.935  -5.637  -2.250
   81    H    ARG  13           H        ARG  13   4.403  -3.025  -0.787
   82    HA   ARG  13           HA       ARG  13   3.512  -4.067   1.820
   83    HB2  ARG  13           2HB      ARG  13   5.069  -2.023   1.900
   84    HB3  ARG  13           1HB      ARG  13   3.744  -1.129   1.190
   85    HG2  ARG  13           2HG      ARG  13   3.924  -0.846   3.622
   86    HG3  ARG  13           1HG      ARG  13   2.377  -1.541   3.132
   87    HD2  ARG  13           2HD      ARG  13   3.487  -2.601   5.145
   88    HD3  ARG  13           1HD      ARG  13   2.997  -3.699   3.864
   89    HE   ARG  13           HE       ARG  13   5.713  -2.935   3.509
   90   HH11  ARG  13          1HH1      ARG  13   3.734  -4.860   5.724
   91   HH12  ARG  13          2HH1      ARG  13   4.904  -6.082   5.927
   92   HH21  ARG  13          1HH2      ARG  13   7.347  -4.593   3.827
   93   HH22  ARG  13          2HH2      ARG  13   6.999  -5.909   4.851
   94    H    CYS  14           H        CYS  14   1.250  -4.017   2.054
   95    HA   CYS  14           HA       CYS  14  -0.060  -3.189  -0.378
   96    HB2  CYS  14           2HB      CYS  14  -1.006  -5.172   1.685
   97    HB3  CYS  14           1HB      CYS  14  -1.877  -4.746   0.217
   98    H    ILE  15           H        ILE  15  -1.914  -1.967  -0.399
   99    HA   ILE  15           HA       ILE  15  -2.682  -0.752   2.134
  100    HB   ILE  15           HB       ILE  15  -1.354   0.872   0.864
  101   HG12  ILE  15          2HG1      ILE  15  -3.030   2.713   0.553
  102   HG13  ILE  15          1HG1      ILE  15  -4.305   1.525   0.781
  103   HG21  ILE  15          1HG2      ILE  15  -2.009   1.694  -1.345
  104   HG22  ILE  15          2HG2      ILE  15  -3.251   0.444  -1.423
  105   HG23  ILE  15          3HG2      ILE  15  -1.550  -0.009  -1.358
  106   HD11  ILE  15          3HD1      ILE  15  -3.878   2.807   2.807
  107   HD12  ILE  15          1HD1      ILE  15  -2.206   2.252   2.810
  108   HD13  ILE  15          2HD1      ILE  15  -3.521   1.096   3.039
  109    H    CYS  16           H        CYS  16  -4.864  -0.717   2.475
  110    HA   CYS  16           HA       CYS  16  -6.450  -1.661   0.246
  111    HB2  CYS  16           2HB      CYS  16  -6.883  -2.168   3.196
  112    HB3  CYS  16           1HB      CYS  16  -8.035  -2.612   1.942
  113    H    THR  17           H        THR  17  -8.273  -0.565  -0.266
  114    HA   THR  17           HA       THR  17  -8.943   1.797   1.383
  115    HB   THR  17           HB       THR  17  -9.289   1.607  -1.534
  116    HG1  THR  17           1HG      THR  17  -6.983   2.178   0.014
  117   HG21  THR  17          3HG2      THR  17 -10.447   3.421  -0.427
  118   HG22  THR  17          1HG2      THR  17  -9.141   4.096  -1.400
  119   HG23  THR  17          2HG2      THR  17  -8.952   3.950   0.347
  120    H    ARG  18           H        ARG  18 -10.799   1.332   2.177
  121    HA   ARG  18           HA       ARG  18 -12.998   0.898   2.576
  122    HB2  ARG  18           2HB      ARG  18 -13.268   0.582  -0.420
  123    HB3  ARG  18           1HB      ARG  18 -14.564   0.783   0.758
  124    HG2  ARG  18           2HG      ARG  18 -14.035   3.037   1.121
  125    HG3  ARG  18           1HG      ARG  18 -12.454   2.870   0.350
  126    HD2  ARG  18           2HD      ARG  18 -15.143   2.697  -0.997
  127    HD3  ARG  18           1HD      ARG  18 -13.986   4.015  -1.162
  128    HE   ARG  18           HE       ARG  18 -13.637   1.271  -2.145
  129   HH11  ARG  18          1HH1      ARG  18 -12.724   4.682  -2.315
  130   HH12  ARG  18          2HH1      ARG  18 -11.796   4.523  -3.720
  131   HH21  ARG  18          1HH2      ARG  18 -12.311   1.019  -4.030
  132   HH22  ARG  18          2HH2      ARG  18 -11.571   2.392  -4.739
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -12.085  -1.463  -0.312
    2    HA2  GLY   1           2HA      GLY   1 -12.239  -4.265   0.545
    3    HA3  GLY   1           1HA      GLY   1 -13.491  -3.799  -0.592
    4    H    ASP   2           H        ASP   2 -10.651  -2.070  -1.149
    5    HA   ASP   2           HA       ASP   2  -9.827  -3.957  -3.224
    6    HB2  ASP   2           2HB      ASP   2 -10.946  -2.101  -4.289
    7    HB3  ASP   2           1HB      ASP   2 -10.046  -0.937  -3.323
    8    H    CYS   3           H        CYS   3  -7.941  -4.778  -2.533
    9    HA   CYS   3           HA       CYS   3  -6.182  -3.014  -1.099
   10    HB2  CYS   3           2HB      CYS   3  -5.871  -5.927  -1.674
   11    HB3  CYS   3           1HB      CYS   3  -4.744  -4.972  -0.736
   12    H    ARG   4           H        ARG   4  -4.729  -2.075  -1.799
   13    HA   ARG   4           HA       ARG   4  -3.760  -2.413  -4.582
   14    HB2  ARG   4           2HB      ARG   4  -3.729   0.072  -2.867
   15    HB3  ARG   4           1HB      ARG   4  -3.412  -0.042  -4.595
   16    HG2  ARG   4           2HG      ARG   4  -5.700  -0.558  -5.041
   17    HG3  ARG   4           1HG      ARG   4  -6.052  -0.680  -3.321
   18    HD2  ARG   4           2HD      ARG   4  -5.454   1.702  -3.080
   19    HD3  ARG   4           1HD      ARG   4  -5.250   1.797  -4.829
   20    HE   ARG   4           HE       ARG   4  -7.691   0.731  -4.540
   21   HH11  ARG   4          1HH1      ARG   4  -6.171   3.648  -3.230
   22   HH12  ARG   4          2HH1      ARG   4  -7.602   4.556  -3.131
   23   HH21  ARG   4          1HH2      ARG   4  -9.701   1.980  -4.385
   24   HH22  ARG   4          2HH2      ARG   4  -9.695   3.561  -3.800
   25    H    CYS   5           H        CYS   5  -1.662  -3.097  -4.595
   26    HA   CYS   5           HA       CYS   5  -0.211  -2.560  -2.168
   27    HB2  CYS   5           2HB      CYS   5   0.359  -4.625  -4.263
   28    HB3  CYS   5           1HB      CYS   5   1.377  -4.326  -2.865
   29    H    LEU   6           H        LEU   6   1.562  -1.570  -2.055
   30    HA   LEU   6           HA       LEU   6   2.560  -0.204  -4.447
   31    HB2  LEU   6           2HB      LEU   6   1.408   1.269  -2.834
   32    HB3  LEU   6           1HB      LEU   6   2.464   0.694  -1.562
   33    HG   LEU   6           HG       LEU   6   4.387   1.712  -2.765
   34   HD11  LEU   6          1HD1      LEU   6   3.485   1.707  -5.014
   35   HD12  LEU   6          2HD1      LEU   6   3.947   3.339  -4.529
   36   HD13  LEU   6          3HD1      LEU   6   2.245   2.864  -4.534
   37   HD21  LEU   6          3HD2      LEU   6   2.131   3.589  -2.077
   38   HD22  LEU   6          1HD2      LEU   6   3.839   4.019  -2.174
   39   HD23  LEU   6          2HD2      LEU   6   3.281   2.889  -0.937
   40    H    CYS   7           H        CYS   7   4.366  -1.378  -4.943
   41    HA   CYS   7           HA       CYS   7   6.058  -2.118  -2.715
   42    HB2  CYS   7           2HB      CYS   7   6.172  -3.023  -5.607
   43    HB3  CYS   7           1HB      CYS   7   7.246  -3.586  -4.333
   44    H    ARG   8           H        ARG   8   7.731  -0.870  -2.284
   45    HA   ARG   8           HA       ARG   8   9.085   0.560  -4.406
   46    HB2  ARG   8           2HB      ARG   8   7.927   1.933  -1.948
   47    HB3  ARG   8           1HB      ARG   8   9.031   2.686  -3.093
   48    HG2  ARG   8           2HG      ARG   8   6.292   1.639  -3.804
   49    HG3  ARG   8           1HG      ARG   8   6.653   3.324  -3.432
   50    HD2  ARG   8           2HD      ARG   8   7.962   3.575  -5.365
   51    HD3  ARG   8           1HD      ARG   8   8.136   1.839  -5.588
   52    HE   ARG   8           HE       ARG   8   5.618   1.945  -6.004
   53   HH11  ARG   8          1HH1      ARG   8   7.828   4.544  -6.896
   54   HH12  ARG   8          2HH1      ARG   8   7.007   4.960  -8.323
   55   HH21  ARG   8          1HH2      ARG   8   4.516   2.463  -7.997
   56   HH22  ARG   8          2HH2      ARG   8   5.103   3.739  -8.974
   57    H    ARG   9           H        ARG   9  11.183   0.851  -3.971
   58    HA   ARG   9           HA       ARG   9  13.261   0.599  -3.058
   59    HB2  ARG   9           2HB      ARG   9  11.891   0.588  -0.388
   60    HB3  ARG   9           1HB      ARG   9  13.589   0.941  -0.685
   61    HG2  ARG   9           2HG      ARG   9  11.236   2.618  -1.532
   62    HG3  ARG   9           1HG      ARG   9  12.334   2.965  -0.202
   63    HD2  ARG   9           2HD      ARG   9  14.168   3.258  -1.761
   64    HD3  ARG   9           1HD      ARG   9  13.121   2.809  -3.117
   65    HE   ARG   9           HE       ARG   9  11.895   4.846  -1.734
   66   HH11  ARG   9          1HH1      ARG   9  14.847   4.542  -3.656
   67   HH12  ARG   9          2HH1      ARG   9  14.785   6.145  -4.230
   68   HH21  ARG   9          1HH2      ARG   9  11.807   6.996  -2.531
   69   HH22  ARG   9          2HH2      ARG   9  13.019   7.564  -3.583
   70    H    GLY  10           H        GLY  10  11.463  -1.655  -3.566
   71    HA2  GLY  10           2HA      GLY  10  11.737  -3.955  -3.614
   72    HA3  GLY  10           1HA      GLY  10  13.159  -3.763  -2.590
   73    H    ASP  11           H        ASP  11  10.197  -2.338  -1.565
   74    HA   ASP  11           HA       ASP  11   9.672  -4.573   0.257
   75    HB2  ASP  11           2HB      ASP  11  10.966  -2.966   1.513
   76    HB3  ASP  11           1HB      ASP  11   9.963  -1.642   0.934
   77    H    CYS  12           H        CYS  12   7.571  -5.150   0.151
   78    HA   CYS  12           HA       CYS  12   5.783  -3.295  -1.201
   79    HB2  CYS  12           2HB      CYS  12   5.325  -6.161  -0.578
   80    HB3  CYS  12           1HB      CYS  12   4.236  -5.127  -1.455
   81    H    ARG  13           H        ARG  13   4.291  -2.386  -0.462
   82    HA   ARG  13           HA       ARG  13   3.209  -3.085   2.201
   83    HB2  ARG  13           2HB      ARG  13   3.734  -0.263   1.186
   84    HB3  ARG  13           1HB      ARG  13   2.921  -0.657   2.695
   85    HG2  ARG  13           2HG      ARG  13   5.752  -1.425   2.023
   86    HG3  ARG  13           1HG      ARG  13   5.292  -0.031   3.009
   87    HD2  ARG  13           2HD      ARG  13   4.560  -1.343   4.753
   88    HD3  ARG  13           1HD      ARG  13   4.278  -2.750   3.749
   89    HE   ARG  13           HE       ARG  13   6.986  -2.213   3.667
   90   HH11  ARG  13          1HH1      ARG  13   4.679  -2.972   6.187
   91   HH12  ARG  13          2HH1      ARG  13   5.670  -4.076   7.016
   92   HH21  ARG  13          1HH2      ARG  13   8.355  -3.716   4.703
   93   HH22  ARG  13          2HH2      ARG  13   7.898  -4.503   6.153
   94    H    CYS  14           H        CYS  14   1.072  -3.299   2.257
   95    HA   CYS  14           HA       CYS  14  -0.270  -2.499  -0.188
   96    HB2  CYS  14           2HB      CYS  14  -0.938  -4.826   1.616
   97    HB3  CYS  14           1HB      CYS  14  -1.847  -4.370   0.180
   98    H    ILE  15           H        ILE  15  -1.914  -1.243  -0.180
   99    HA   ILE  15           HA       ILE  15  -3.001  -0.263   2.370
  100    HB   ILE  15           HB       ILE  15  -3.118   0.937  -0.418
  101   HG12  ILE  15          2HG1      ILE  15  -0.814   1.015   0.407
  102   HG13  ILE  15          1HG1      ILE  15  -1.514   2.629   0.366
  103   HG21  ILE  15          1HG2      ILE  15  -3.923   2.154   2.220
  104   HG22  ILE  15          2HG2      ILE  15  -5.008   1.617   0.943
  105   HG23  ILE  15          3HG2      ILE  15  -3.927   2.981   0.663
  106   HD11  ILE  15          3HD1      ILE  15  -0.181   2.306   2.363
  107   HD12  ILE  15          1HD1      ILE  15  -1.154   0.901   2.795
  108   HD13  ILE  15          2HD1      ILE  15  -1.882   2.507   2.786
  109    H    CYS  16           H        CYS  16  -5.103  -0.860   2.760
  110    HA   CYS  16           HA       CYS  16  -6.542  -1.865   0.446
  111    HB2  CYS  16           2HB      CYS  16  -6.868  -2.688   3.332
  112    HB3  CYS  16           1HB      CYS  16  -7.904  -3.216   2.008
  113    H    THR  17           H        THR  17  -8.021  -0.647  -0.266
  114    HA   THR  17           HA       THR  17  -9.204   1.350   1.532
  115    HB   THR  17           HB       THR  17  -9.283   1.218  -1.386
  116    HG1  THR  17           1HG      THR  17  -7.351   2.334   0.409
  117   HG21  THR  17          3HG2      THR  17  -9.561   3.514   0.552
  118   HG22  THR  17          1HG2      THR  17 -10.828   2.792  -0.436
  119   HG23  THR  17          2HG2      THR  17  -9.522   3.714  -1.195
  120    H    ARG  18           H        ARG  18 -10.817   0.397   2.278
  121    HA   ARG  18           HA       ARG  18 -12.892  -0.318   2.717
  122    HB2  ARG  18           2HB      ARG  18 -13.319   0.626  -0.082
  123    HB3  ARG  18           1HB      ARG  18 -14.545  -0.304   0.754
  124    HG2  ARG  18           2HG      ARG  18 -15.064   2.060   0.898
  125    HG3  ARG  18           1HG      ARG  18 -14.670   1.444   2.493
  126    HD2  ARG  18           2HD      ARG  18 -12.657   2.852   0.765
  127    HD3  ARG  18           1HD      ARG  18 -13.754   3.737   1.823
  128    HE   ARG  18           HE       ARG  18 -12.483   1.816   3.359
  129   HH11  ARG  18          1HH1      ARG  18 -11.581   4.718   1.542
  130   HH12  ARG  18          2HH1      ARG  18 -10.228   5.089   2.505
  131   HH21  ARG  18          1HH2      ARG  18 -10.618   2.313   4.684
  132   HH22  ARG  18          2HH2      ARG  18  -9.680   3.688   4.376
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -11.433  -0.827   1.126
    2    HA2  GLY   1           2HA      GLY   1 -12.209  -2.950   1.695
    3    HA3  GLY   1           1HA      GLY   1 -13.543  -2.743   0.564
    4    H    ASP   2           H        ASP   2 -10.553  -1.852  -0.683
    5    HA   ASP   2           HA       ASP   2 -10.247  -4.390  -2.135
    6    HB2  ASP   2           2HB      ASP   2 -11.355  -2.728  -3.558
    7    HB3  ASP   2           1HB      ASP   2 -10.113  -1.547  -3.180
    8    H    CYS   3           H        CYS   3  -8.140  -5.138  -2.088
    9    HA   CYS   3           HA       CYS   3  -6.293  -3.290  -0.852
   10    HB2  CYS   3           2HB      CYS   3  -5.989  -6.242  -1.174
   11    HB3  CYS   3           1HB      CYS   3  -4.861  -5.196  -0.340
   12    H    ARG   4           H        ARG   4  -4.777  -2.459  -1.718
   13    HA   ARG   4           HA       ARG   4  -4.013  -3.204  -4.471
   14    HB2  ARG   4           2HB      ARG   4  -5.226  -1.054  -4.332
   15    HB3  ARG   4           1HB      ARG   4  -4.054  -0.466  -3.165
   16    HG2  ARG   4           2HG      ARG   4  -3.630   0.490  -5.340
   17    HG3  ARG   4           1HG      ARG   4  -2.306  -0.584  -4.895
   18    HD2  ARG   4           2HD      ARG   4  -3.281  -2.348  -6.287
   19    HD3  ARG   4           1HD      ARG   4  -4.598  -1.269  -6.740
   20    HE   ARG   4           HE       ARG   4  -2.337   0.083  -7.378
   21   HH11  ARG   4          1HH1      ARG   4  -3.690  -3.057  -8.285
   22   HH12  ARG   4          2HH1      ARG   4  -2.937  -3.102  -9.807
   23   HH21  ARG   4          1HH2      ARG   4  -1.328   0.017  -9.508
   24   HH22  ARG   4          2HH2      ARG   4  -1.579  -1.321 -10.520
   25    H    CYS   5           H        CYS   5  -1.954  -3.908  -4.618
   26    HA   CYS   5           HA       CYS   5  -0.234  -3.334  -2.383
   27    HB2  CYS   5           2HB      CYS   5   0.157  -5.316  -4.596
   28    HB3  CYS   5           1HB      CYS   5   1.197  -5.128  -3.196
   29    H    LEU   6           H        LEU   6   1.523  -2.317  -2.396
   30    HA   LEU   6           HA       LEU   6   2.438  -1.049  -4.897
   31    HB2  LEU   6           2HB      LEU   6   1.036   0.539  -3.659
   32    HB3  LEU   6           1HB      LEU   6   1.981   0.265  -2.213
   33    HG   LEU   6           HG       LEU   6   3.953   1.253  -3.397
   34   HD11  LEU   6          1HD1      LEU   6   3.565   2.589  -5.400
   35   HD12  LEU   6          2HD1      LEU   6   1.911   1.980  -5.484
   36   HD13  LEU   6          3HD1      LEU   6   3.268   0.872  -5.681
   37   HD21  LEU   6          3HD2      LEU   6   1.516   3.016  -3.125
   38   HD22  LEU   6          1HD2      LEU   6   3.188   3.574  -3.193
   39   HD23  LEU   6          2HD2      LEU   6   2.647   2.582  -1.844
   40    H    CYS   7           H        CYS   7   4.715  -0.746  -4.950
   41    HA   CYS   7           HA       CYS   7   6.020  -1.796  -2.595
   42    HB2  CYS   7           2HB      CYS   7   7.025  -1.973  -5.449
   43    HB3  CYS   7           1HB      CYS   7   7.865  -2.605  -4.038
   44    H    ARG   8           H        ARG   8   7.645  -0.612  -1.704
   45    HA   ARG   8           HA       ARG   8   8.485   1.786  -3.126
   46    HB2  ARG   8           2HB      ARG   8   7.661   1.633  -0.221
   47    HB3  ARG   8           1HB      ARG   8   8.426   3.022  -0.975
   48    HG2  ARG   8           2HG      ARG   8   6.520   3.362  -2.406
   49    HG3  ARG   8           1HG      ARG   8   5.771   1.881  -1.810
   50    HD2  ARG   8           2HD      ARG   8   6.405   4.320  -0.152
   51    HD3  ARG   8           1HD      ARG   8   4.812   3.868  -0.770
   52    HE   ARG   8           HE       ARG   8   6.026   1.801   0.758
   53   HH11  ARG   8          1HH1      ARG   8   4.143   4.775   1.077
   54   HH12  ARG   8          2HH1      ARG   8   3.471   4.356   2.586
   55   HH21  ARG   8          1HH2      ARG   8   5.171   1.225   2.769
   56   HH22  ARG   8          2HH2      ARG   8   4.105   2.254   3.616
   57    H    ARG   9           H        ARG   9  10.608   1.688  -3.327
   58    HA   ARG   9           HA       ARG   9  12.827   1.319  -2.982
   59    HB2  ARG   9           2HB      ARG   9  11.947   1.079  -0.117
   60    HB3  ARG   9           1HB      ARG   9  13.627   0.904  -0.592
   61    HG2  ARG   9           2HG      ARG   9  11.954   3.358  -1.102
   62    HG3  ARG   9           1HG      ARG   9  13.058   3.150   0.259
   63    HD2  ARG   9           2HD      ARG   9  13.822   3.108  -2.665
   64    HD3  ARG   9           1HD      ARG   9  14.124   4.413  -1.529
   65    HE   ARG   9           HE       ARG   9  15.215   2.030  -0.524
   66   HH11  ARG   9          1HH1      ARG   9  15.845   4.465  -3.046
   67   HH12  ARG   9          2HH1      ARG   9  17.506   4.143  -3.111
   68   HH21  ARG   9          1HH2      ARG   9  17.524   1.592  -0.661
   69   HH22  ARG   9          2HH2      ARG   9  18.477   2.506  -1.721
   70    H    GLY  10           H        GLY  10  10.773  -0.881  -3.254
   71    HA2  GLY  10           2HA      GLY  10  11.298  -3.117  -3.923
   72    HA3  GLY  10           1HA      GLY  10  12.646  -3.097  -2.786
   73    H    ASP  11           H        ASP  11  10.624  -1.706  -0.921
   74    HA   ASP  11           HA       ASP  11   9.784  -4.133   0.398
   75    HB2  ASP  11           2HB      ASP  11  10.713  -2.376   1.801
   76    HB3  ASP  11           1HB      ASP  11   9.595  -1.202   1.133
   77    H    CYS  12           H        CYS  12   8.053  -5.057  -0.444
   78    HA   CYS  12           HA       CYS  12   5.972  -3.368  -1.484
   79    HB2  CYS  12           2HB      CYS  12   6.090  -6.354  -1.479
   80    HB3  CYS  12           1HB      CYS  12   4.927  -5.361  -2.319
   81    H    ARG  13           H        ARG  13   4.163  -3.062  -0.790
   82    HA   ARG  13           HA       ARG  13   3.270  -4.415   1.653
   83    HB2  ARG  13           2HB      ARG  13   4.625  -2.333   2.201
   84    HB3  ARG  13           1HB      ARG  13   3.339  -1.418   1.446
   85    HG2  ARG  13           2HG      ARG  13   1.754  -2.135   3.088
   86    HG3  ARG  13           1HG      ARG  13   2.925  -3.257   3.787
   87    HD2  ARG  13           2HD      ARG  13   3.097  -0.261   3.732
   88    HD3  ARG  13           1HD      ARG  13   2.824  -1.281   5.145
   89    HE   ARG  13           HE       ARG  13   5.199  -2.079   3.901
   90   HH11  ARG  13          1HH1      ARG  13   3.958   0.546   5.908
   91   HH12  ARG  13          2HH1      ARG  13   5.490   1.082   6.403
   92   HH21  ARG  13          1HH2      ARG  13   7.275  -1.312   4.489
   93   HH22  ARG  13          2HH2      ARG  13   7.441  -0.021   5.600
   94    H    CYS  14           H        CYS  14   1.000  -4.305   1.926
   95    HA   CYS  14           HA       CYS  14  -0.260  -3.294  -0.453
   96    HB2  CYS  14           2HB      CYS  14  -1.190  -5.603   1.250
   97    HB3  CYS  14           1HB      CYS  14  -1.994  -5.017  -0.204
   98    H    ILE  15           H        ILE  15  -1.714  -1.851  -0.376
   99    HA   ILE  15           HA       ILE  15  -2.502  -0.808   2.224
  100    HB   ILE  15           HB       ILE  15  -2.445   0.440  -0.545
  101   HG12  ILE  15          2HG1      ILE  15  -0.684   0.968   1.862
  102   HG13  ILE  15          1HG1      ILE  15  -0.199   0.063   0.434
  103   HG21  ILE  15          1HG2      ILE  15  -4.243   1.388   0.776
  104   HG22  ILE  15          2HG2      ILE  15  -2.935   2.565   0.613
  105   HG23  ILE  15          3HG2      ILE  15  -3.132   1.661   2.114
  106   HD11  ILE  15          3HD1      ILE  15  -0.937   2.982   0.518
  107   HD12  ILE  15          1HD1      ILE  15  -0.455   2.084  -0.920
  108   HD13  ILE  15          2HD1      ILE  15   0.692   2.321   0.395
  109    H    CYS  16           H        CYS  16  -4.510  -1.392   2.783
  110    HA   CYS  16           HA       CYS  16  -6.356  -2.059   0.657
  111    HB2  CYS  16           2HB      CYS  16  -6.576  -2.608   3.628
  112    HB3  CYS  16           1HB      CYS  16  -7.733  -3.128   2.406
  113    H    THR  17           H        THR  17  -7.809  -0.724   0.041
  114    HA   THR  17           HA       THR  17  -9.000   1.095   1.925
  115    HB   THR  17           HB       THR  17  -7.694   2.137  -0.626
  116    HG1  THR  17           1HG      THR  17  -6.752   1.646   1.852
  117   HG21  THR  17          3HG2      THR  17  -9.685   3.417   0.164
  118   HG22  THR  17          1HG2      THR  17  -8.200   4.357   0.310
  119   HG23  THR  17          2HG2      THR  17  -8.904   3.605   1.734
  120    H    ARG  18           H        ARG  18 -11.098   1.747   1.163
  121    HA   ARG  18           HA       ARG  18 -13.047   1.709   0.003
  122    HB2  ARG  18           2HB      ARG  18 -11.574   0.489  -2.346
  123    HB3  ARG  18           1HB      ARG  18 -13.113   1.332  -2.329
  124    HG2  ARG  18           2HG      ARG  18 -12.071   3.437  -2.008
  125    HG3  ARG  18           1HG      ARG  18 -10.517   2.677  -1.659
  126    HD2  ARG  18           2HD      ARG  18 -11.966   2.664  -4.304
  127    HD3  ARG  18           1HD      ARG  18 -10.500   3.568  -3.915
  128    HE   ARG  18           HE       ARG  18 -10.592   0.620  -3.871
  129   HH11  ARG  18          1HH1      ARG  18  -8.954   3.610  -4.919
  130   HH12  ARG  18          2HH1      ARG  18  -7.703   2.791  -5.709
  131   HH21  ARG  18          1HH2      ARG  18  -8.731  -0.512  -4.977
  132   HH22  ARG  18          2HH2      ARG  18  -7.598   0.478  -5.743
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -11.206  -1.415   1.022
    2    HA2  GLY   1           2HA      GLY   1 -11.871  -3.695   1.570
    3    HA3  GLY   1           1HA      GLY   1 -13.239  -3.480   0.477
    4    H    ASP   2           H        ASP   2 -10.736  -1.855  -0.893
    5    HA   ASP   2           HA       ASP   2 -10.032  -4.083  -2.659
    6    HB2  ASP   2           2HB      ASP   2  -9.742  -1.096  -3.038
    7    HB3  ASP   2           1HB      ASP   2  -9.313  -2.330  -4.202
    8    H    CYS   3           H        CYS   3  -7.844  -4.585  -2.774
    9    HA   CYS   3           HA       CYS   3  -6.234  -2.852  -1.135
   10    HB2  CYS   3           2HB      CYS   3  -5.681  -5.697  -1.926
   11    HB3  CYS   3           1HB      CYS   3  -4.573  -4.681  -1.025
   12    H    ARG   4           H        ARG   4  -4.508  -1.928  -1.793
   13    HA   ARG   4           HA       ARG   4  -3.867  -2.006  -4.666
   14    HB2  ARG   4           2HB      ARG   4  -3.210   0.149  -2.636
   15    HB3  ARG   4           1HB      ARG   4  -3.019   0.245  -4.368
   16    HG2  ARG   4           2HG      ARG   4  -5.684   0.127  -2.948
   17    HG3  ARG   4           1HG      ARG   4  -4.885   1.615  -3.416
   18    HD2  ARG   4           2HD      ARG   4  -6.458   1.243  -5.104
   19    HD3  ARG   4           1HD      ARG   4  -4.954   0.681  -5.806
   20    HE   ARG   4           HE       ARG   4  -5.989  -1.587  -4.796
   21   HH11  ARG   4          1HH1      ARG   4  -7.331   0.894  -6.948
   22   HH12  ARG   4          2HH1      ARG   4  -8.495  -0.124  -7.653
   23   HH21  ARG   4          1HH2      ARG   4  -7.656  -3.000  -5.754
   24   HH22  ARG   4          2HH2      ARG   4  -8.689  -2.353  -6.931
   25    H    CYS   5           H        CYS   5  -2.195  -3.552  -4.630
   26    HA   CYS   5           HA       CYS   5  -0.289  -3.231  -2.501
   27    HB2  CYS   5           2HB      CYS   5  -0.486  -5.426  -4.527
   28    HB3  CYS   5           1HB      CYS   5   0.701  -5.351  -3.248
   29    H    LEU   6           H        LEU   6   1.447  -2.425  -2.693
   30    HA   LEU   6           HA       LEU   6   2.566  -1.806  -5.369
   31    HB2  LEU   6           2HB      LEU   6   2.269   0.168  -3.105
   32    HB3  LEU   6           1HB      LEU   6   3.141   0.470  -4.593
   33    HG   LEU   6           HG       LEU   6   0.159  -0.009  -4.389
   34   HD11  LEU   6          1HD1      LEU   6   1.708   2.535  -4.855
   35   HD12  LEU   6          2HD1      LEU   6   0.835   2.102  -3.382
   36   HD13  LEU   6          3HD1      LEU   6  -0.047   2.363  -4.884
   37   HD21  LEU   6          3HD2      LEU   6   1.885   0.820  -6.731
   38   HD22  LEU   6          1HD2      LEU   6   0.123   0.758  -6.727
   39   HD23  LEU   6          2HD2      LEU   6   1.058  -0.724  -6.539
   40    H    CYS   7           H        CYS   7   4.833  -1.545  -5.392
   41    HA   CYS   7           HA       CYS   7   6.045  -2.291  -2.880
   42    HB2  CYS   7           2HB      CYS   7   7.056  -2.917  -5.672
   43    HB3  CYS   7           1HB      CYS   7   7.939  -3.280  -4.192
   44    H    ARG   8           H        ARG   8   7.349  -0.902  -1.988
   45    HA   ARG   8           HA       ARG   8   8.243   1.375  -3.625
   46    HB2  ARG   8           2HB      ARG   8   7.213   1.419  -0.787
   47    HB3  ARG   8           1HB      ARG   8   7.922   2.786  -1.620
   48    HG2  ARG   8           2HG      ARG   8   5.403   1.396  -2.532
   49    HG3  ARG   8           1HG      ARG   8   5.416   2.781  -1.452
   50    HD2  ARG   8           2HD      ARG   8   4.978   3.555  -3.693
   51    HD3  ARG   8           1HD      ARG   8   6.585   4.085  -3.226
   52    HE   ARG   8           HE       ARG   8   6.662   1.611  -4.645
   53   HH11  ARG   8          1HH1      ARG   8   6.345   5.108  -5.154
   54   HH12  ARG   8          2HH1      ARG   8   6.908   5.019  -6.766
   55   HH21  ARG   8          1HH2      ARG   8   7.447   1.542  -6.818
   56   HH22  ARG   8          2HH2      ARG   8   7.566   2.975  -7.721
   57    H    ARG   9           H        ARG   9  10.389   1.113  -3.797
   58    HA   ARG   9           HA       ARG   9  12.595   1.164  -3.216
   59    HB2  ARG   9           2HB      ARG   9  11.427   1.764  -0.555
   60    HB3  ARG   9           1HB      ARG   9  13.156   1.845  -0.865
   61    HG2  ARG   9           2HG      ARG   9  12.839   3.613  -2.459
   62    HG3  ARG   9           1HG      ARG   9  11.085   3.471  -2.325
   63    HD2  ARG   9           2HD      ARG   9  11.962   5.386  -1.078
   64    HD3  ARG   9           1HD      ARG   9  11.183   4.216  -0.025
   65    HE   ARG   9           HE       ARG   9  13.400   3.463   0.620
   66   HH11  ARG   9          1HH1      ARG   9  13.327   6.583  -1.072
   67   HH12  ARG   9          2HH1      ARG   9  14.588   7.258  -0.177
   68   HH21  ARG   9          1HH2      ARG   9  15.143   4.431   1.887
   69   HH22  ARG   9          2HH2      ARG   9  15.659   6.016   1.531
   70    H    GLY  10           H        GLY  10  11.076  -1.287  -3.024
   71    HA2  GLY  10           2HA      GLY  10  12.021  -3.471  -2.839
   72    HA3  GLY  10           1HA      GLY  10  13.139  -2.845  -1.635
   73    H    ASP  11           H        ASP  11  10.190  -1.641  -0.917
   74    HA   ASP  11           HA       ASP  11   9.600  -3.832   0.945
   75    HB2  ASP  11           2HB      ASP  11  10.213  -1.765   2.103
   76    HB3  ASP  11           1HB      ASP  11   9.046  -0.858   1.152
   77    H    CYS  12           H        CYS  12   8.016  -5.043  -0.018
   78    HA   CYS  12           HA       CYS  12   6.005  -3.636  -1.488
   79    HB2  CYS  12           2HB      CYS  12   6.189  -6.574  -0.948
   80    HB3  CYS  12           1HB      CYS  12   4.998  -5.808  -1.969
   81    H    ARG  13           H        ARG  13   4.143  -3.283  -1.062
   82    HA   ARG  13           HA       ARG  13   3.281  -3.594   1.745
   83    HB2  ARG  13           2HB      ARG  13   4.606  -1.570   1.373
   84    HB3  ARG  13           1HB      ARG  13   3.474  -1.078   0.137
   85    HG2  ARG  13           2HG      ARG  13   1.718  -0.888   1.835
   86    HG3  ARG  13           1HG      ARG  13   2.893  -1.379   3.071
   87    HD2  ARG  13           2HD      ARG  13   3.006   1.060   1.313
   88    HD3  ARG  13           1HD      ARG  13   2.826   1.013   3.070
   89    HE   ARG  13           HE       ARG  13   5.127  -0.326   2.668
   90   HH11  ARG  13          1HH1      ARG  13   4.096   2.922   1.705
   91   HH12  ARG  13          2HH1      ARG  13   5.682   3.494   1.495
   92   HH21  ARG  13          1HH2      ARG  13   7.205   0.399   2.356
   93   HH22  ARG  13          2HH2      ARG  13   7.532   2.025   1.897
   94    H    CYS  14           H        CYS  14   1.116  -3.977   1.839
   95    HA   CYS  14           HA       CYS  14  -0.327  -3.274  -0.543
   96    HB2  CYS  14           2HB      CYS  14  -0.988  -5.413   1.495
   97    HB3  CYS  14           1HB      CYS  14  -2.124  -4.897   0.254
   98    H    ILE  15           H        ILE  15  -1.570  -1.600  -0.398
   99    HA   ILE  15           HA       ILE  15  -2.413  -0.646   2.244
  100    HB   ILE  15           HB       ILE  15  -2.328   0.790  -0.434
  101   HG12  ILE  15          2HG1      ILE  15  -0.523   1.121   1.982
  102   HG13  ILE  15          1HG1      ILE  15  -0.081   0.279   0.502
  103   HG21  ILE  15          1HG2      ILE  15  -2.749   2.826   0.911
  104   HG22  ILE  15          2HG2      ILE  15  -2.976   1.801   2.334
  105   HG23  ILE  15          3HG2      ILE  15  -4.085   1.676   0.974
  106   HD11  ILE  15          3HD1      ILE  15   0.869   2.513   0.583
  107   HD12  ILE  15          1HD1      ILE  15  -0.744   3.209   0.742
  108   HD13  ILE  15          2HD1      ILE  15  -0.279   2.370  -0.742
  109    H    CYS  16           H        CYS  16  -4.489  -1.157   2.742
  110    HA   CYS  16           HA       CYS  16  -6.214  -1.694   0.464
  111    HB2  CYS  16           2HB      CYS  16  -6.460  -2.756   3.282
  112    HB3  CYS  16           1HB      CYS  16  -7.523  -3.161   1.935
  113    H    THR  17           H        THR  17  -8.036  -0.660   0.155
  114    HA   THR  17           HA       THR  17  -9.140   1.021   2.242
  115    HB   THR  17           HB       THR  17  -8.402   2.186  -0.451
  116    HG1  THR  17           1HG      THR  17  -6.929   1.846   1.847
  117   HG21  THR  17          3HG2      THR  17 -10.289   3.272   0.728
  118   HG22  THR  17          1HG2      THR  17  -8.888   4.343   0.631
  119   HG23  THR  17          2HG2      THR  17  -9.254   3.504   2.135
  120    H    ARG  18           H        ARG  18 -11.318   1.211   1.972
  121    HA   ARG  18           HA       ARG  18 -13.447   0.992   1.249
  122    HB2  ARG  18           2HB      ARG  18 -12.484   0.380  -1.543
  123    HB3  ARG  18           1HB      ARG  18 -14.047   0.969  -1.012
  124    HG2  ARG  18           2HG      ARG  18 -13.094   3.136  -0.479
  125    HG3  ARG  18           1HG      ARG  18 -11.487   2.548  -0.920
  126    HD2  ARG  18           2HD      ARG  18 -13.872   2.941  -2.721
  127    HD3  ARG  18           1HD      ARG  18 -12.325   3.780  -2.787
  128    HE   ARG  18           HE       ARG  18 -12.279   0.885  -3.192
  129   HH11  ARG  18          1HH1      ARG  18 -12.057   4.072  -4.721
  130   HH12  ARG  18          2HH1      ARG  18 -11.557   3.458  -6.219
  131   HH21  ARG  18          1HH2      ARG  18 -11.652   0.081  -5.145
  132   HH22  ARG  18          2HH2      ARG  18 -11.318   1.087  -6.509
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -11.011  -0.953   1.262
    2    HA2  GLY   1           2HA      GLY   1 -11.730  -3.106   2.030
    3    HA3  GLY   1           1HA      GLY   1 -13.047  -3.037   0.870
    4    H    ASP   2           H        ASP   2 -10.693  -1.886  -0.924
    5    HA   ASP   2           HA       ASP   2 -10.032  -4.556  -1.907
    6    HB2  ASP   2           2HB      ASP   2 -11.236  -3.210  -3.539
    7    HB3  ASP   2           1HB      ASP   2 -10.072  -1.900  -3.352
    8    H    CYS   3           H        CYS   3  -7.934  -5.130  -2.112
    9    HA   CYS   3           HA       CYS   3  -6.128  -3.160  -1.013
   10    HB2  CYS   3           2HB      CYS   3  -5.769  -6.127  -1.009
   11    HB3  CYS   3           1HB      CYS   3  -4.698  -4.962  -0.268
   12    H    ARG   4           H        ARG   4  -4.543  -2.474  -1.967
   13    HA   ARG   4           HA       ARG   4  -3.726  -3.667  -4.527
   14    HB2  ARG   4           2HB      ARG   4  -4.883  -1.564  -4.938
   15    HB3  ARG   4           1HB      ARG   4  -3.890  -0.745  -3.747
   16    HG2  ARG   4           2HG      ARG   4  -3.212  -0.198  -6.020
   17    HG3  ARG   4           1HG      ARG   4  -1.927  -1.026  -5.148
   18    HD2  ARG   4           2HD      ARG   4  -2.136  -1.854  -7.455
   19    HD3  ARG   4           1HD      ARG   4  -2.475  -3.116  -6.277
   20    HE   ARG   4           HE       ARG   4  -4.699  -1.617  -7.398
   21   HH11  ARG   4          1HH1      ARG   4  -2.885  -4.676  -7.308
   22   HH12  ARG   4          2HH1      ARG   4  -4.096  -5.571  -8.085
   23   HH21  ARG   4          1HH2      ARG   4  -6.389  -2.902  -8.406
   24   HH22  ARG   4          2HH2      ARG   4  -6.140  -4.553  -8.694
   25    H    CYS   5           H        CYS   5  -1.602  -4.204  -4.584
   26    HA   CYS   5           HA       CYS   5  -0.091  -3.291  -2.317
   27    HB2  CYS   5           2HB      CYS   5   0.664  -5.470  -4.212
   28    HB3  CYS   5           1HB      CYS   5   1.387  -5.128  -2.645
   29    H    LEU   6           H        LEU   6   1.286  -2.043  -2.298
   30    HA   LEU   6           HA       LEU   6   2.335  -0.953  -4.842
   31    HB2  LEU   6           2HB      LEU   6   1.773   0.537  -2.267
   32    HB3  LEU   6           1HB      LEU   6   2.501   1.235  -3.697
   33    HG   LEU   6           HG       LEU   6  -0.322   0.157  -3.524
   34   HD11  LEU   6          1HD1      LEU   6  -0.990   2.496  -3.725
   35   HD12  LEU   6          2HD1      LEU   6   0.704   2.982  -3.642
   36   HD13  LEU   6          3HD1      LEU   6  -0.064   2.208  -2.257
   37   HD21  LEU   6          3HD2      LEU   6  -0.604   1.189  -5.729
   38   HD22  LEU   6          1HD2      LEU   6   0.607  -0.092  -5.748
   39   HD23  LEU   6          2HD2      LEU   6   1.109   1.599  -5.752
   40    H    CYS   7           H        CYS   7   4.531  -0.593  -4.937
   41    HA   CYS   7           HA       CYS   7   5.893  -1.676  -2.637
   42    HB2  CYS   7           2HB      CYS   7   6.951  -1.550  -5.464
   43    HB3  CYS   7           1HB      CYS   7   7.746  -2.312  -4.087
   44    H    ARG   8           H        ARG   8   7.476  -0.796  -1.611
   45    HA   ARG   8           HA       ARG   8   8.167   1.977  -2.235
   46    HB2  ARG   8           2HB      ARG   8   7.592   0.653   0.424
   47    HB3  ARG   8           1HB      ARG   8   8.208   2.281   0.239
   48    HG2  ARG   8           2HG      ARG   8   6.173   3.003  -0.792
   49    HG3  ARG   8           1HG      ARG   8   5.566   1.348  -0.864
   50    HD2  ARG   8           2HD      ARG   8   4.585   2.668   0.984
   51    HD3  ARG   8           1HD      ARG   8   5.448   1.235   1.536
   52    HE   ARG   8           HE       ARG   8   7.322   2.728   2.056
   53   HH11  ARG   8          1HH1      ARG   8   4.045   4.127   1.898
   54   HH12  ARG   8          2HH1      ARG   8   4.399   5.403   2.961
   55   HH21  ARG   8          1HH2      ARG   8   7.777   4.497   3.518
   56   HH22  ARG   8          2HH2      ARG   8   6.548   5.623   3.885
   57    H    ARG   9           H        ARG   9  10.275   1.645  -2.951
   58    HA   ARG   9           HA       ARG   9  12.539   1.310  -2.858
   59    HB2  ARG   9           2HB      ARG   9  12.246   0.307  -0.035
   60    HB3  ARG   9           1HB      ARG   9  13.683   0.964  -0.782
   61    HG2  ARG   9           2HG      ARG   9  12.771   3.185  -0.725
   62    HG3  ARG   9           1HG      ARG   9  11.211   2.566  -0.168
   63    HD2  ARG   9           2HD      ARG   9  13.837   2.497   1.310
   64    HD3  ARG   9           1HD      ARG   9  12.395   3.413   1.742
   65    HE   ARG   9           HE       ARG   9  11.968   0.553   1.599
   66   HH11  ARG   9          1HH1      ARG   9  12.893   3.171   3.785
   67   HH12  ARG   9          2HH1      ARG   9  12.549   2.265   5.183
   68   HH21  ARG   9          1HH2      ARG   9  11.572  -0.638   3.429
   69   HH22  ARG   9          2HH2      ARG   9  11.763   0.036   5.003
   70    H    GLY  10           H        GLY  10  10.475  -0.877  -3.249
   71    HA2  GLY  10           2HA      GLY  10  10.888  -3.041  -4.103
   72    HA3  GLY  10           1HA      GLY  10  12.334  -3.136  -3.106
   73    H    ASP  11           H        ASP  11  10.389  -1.893  -0.924
   74    HA   ASP  11           HA       ASP  11   9.602  -4.449   0.189
   75    HB2  ASP  11           2HB      ASP  11   9.215  -1.616   1.218
   76    HB3  ASP  11           1HB      ASP  11   8.836  -3.079   2.103
   77    H    CYS  12           H        CYS  12   7.685  -5.224  -0.533
   78    HA   CYS  12           HA       CYS  12   5.856  -3.218  -1.485
   79    HB2  CYS  12           2HB      CYS  12   5.602  -6.163  -1.819
   80    HB3  CYS  12           1HB      CYS  12   4.616  -4.941  -2.590
   81    H    ARG  13           H        ARG  13   4.118  -2.721  -0.766
   82    HA   ARG  13           HA       ARG  13   3.219  -3.974   1.730
   83    HB2  ARG  13           2HB      ARG  13   3.334  -0.997   1.175
   84    HB3  ARG  13           1HB      ARG  13   2.661  -1.740   2.622
   85    HG2  ARG  13           2HG      ARG  13   5.550  -1.809   1.744
   86    HG3  ARG  13           1HG      ARG  13   4.872  -0.892   3.093
   87    HD2  ARG  13           2HD      ARG  13   4.263  -2.928   4.226
   88    HD3  ARG  13           1HD      ARG  13   4.791  -3.899   2.857
   89    HE   ARG  13           HE       ARG  13   6.558  -2.300   4.554
   90   HH11  ARG  13          1HH1      ARG  13   6.055  -5.087   2.388
   91   HH12  ARG  13          2HH1      ARG  13   7.423  -5.925   2.914
   92   HH21  ARG  13          1HH2      ARG  13   8.471  -3.484   5.270
   93   HH22  ARG  13          2HH2      ARG  13   8.846  -4.989   4.555
   94    H    CYS  14           H        CYS  14   1.135  -4.377   1.855
   95    HA   CYS  14           HA       CYS  14  -0.335  -3.570  -0.453
   96    HB2  CYS  14           2HB      CYS  14  -0.977  -5.719   1.570
   97    HB3  CYS  14           1HB      CYS  14  -1.991  -5.334   0.183
   98    H    ILE  15           H        ILE  15  -1.497  -1.914  -0.421
   99    HA   ILE  15           HA       ILE  15  -2.445  -0.884   2.123
  100    HB   ILE  15           HB       ILE  15  -1.891   0.451  -0.542
  101   HG12  ILE  15          2HG1      ILE  15  -0.580   0.701   2.176
  102   HG13  ILE  15          1HG1      ILE  15   0.100  -0.076   0.761
  103   HG21  ILE  15          1HG2      ILE  15  -3.854   1.497   0.417
  104   HG22  ILE  15          2HG2      ILE  15  -2.471   2.590   0.577
  105   HG23  ILE  15          3HG2      ILE  15  -3.035   1.660   1.967
  106   HD11  ILE  15          3HD1      ILE  15   1.069   2.117   1.191
  107   HD12  ILE  15          1HD1      ILE  15  -0.521   2.855   1.021
  108   HD13  ILE  15          2HD1      ILE  15   0.246   2.067  -0.363
  109    H    CYS  16           H        CYS  16  -4.523  -0.905   2.493
  110    HA   CYS  16           HA       CYS  16  -6.205  -1.752   0.293
  111    HB2  CYS  16           2HB      CYS  16  -6.743  -2.008   3.254
  112    HB3  CYS  16           1HB      CYS  16  -7.714  -2.688   1.946
  113    H    THR  17           H        THR  17  -7.857  -0.640  -0.369
  114    HA   THR  17           HA       THR  17  -8.632   1.728   1.148
  115    HB   THR  17           HB       THR  17  -8.283   1.776  -1.819
  116    HG1  THR  17           1HG      THR  17  -6.232   1.382  -0.794
  117   HG21  THR  17          3HG2      THR  17  -8.200   4.225  -1.479
  118   HG22  THR  17          1HG2      THR  17  -8.369   3.975   0.259
  119   HG23  THR  17          2HG2      THR  17  -9.682   3.522  -0.825
  120    H    ARG  18           H        ARG  18 -10.746   1.743   1.282
  121    HA   ARG  18           HA       ARG  18 -12.966   1.353   1.042
  122    HB2  ARG  18           2HB      ARG  18 -12.256   1.025  -1.856
  123    HB3  ARG  18           1HB      ARG  18 -13.888   1.203  -1.216
  124    HG2  ARG  18           2HG      ARG  18 -11.710   3.277  -0.966
  125    HG3  ARG  18           1HG      ARG  18 -12.994   3.305  -2.172
  126    HD2  ARG  18           2HD      ARG  18 -14.664   3.476  -0.428
  127    HD3  ARG  18           1HD      ARG  18 -13.424   3.318   0.813
  128    HE   ARG  18           HE       ARG  18 -12.510   5.429  -0.364
  129   HH11  ARG  18          1HH1      ARG  18 -15.937   4.730   0.194
  130   HH12  ARG  18          2HH1      ARG  18 -16.376   6.348   0.439
  131   HH21  ARG  18          1HH2      ARG  18 -13.081   7.623  -0.059
  132   HH22  ARG  18          2HH2      ARG  18 -14.696   8.068   0.273
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -11.342  -0.813   1.038
    2    HA2  GLY   1           2HA      GLY   1 -11.975  -2.955   1.762
    3    HA3  GLY   1           1HA      GLY   1 -13.402  -2.852   0.733
    4    H    ASP   2           H        ASP   2 -10.676  -1.901  -0.941
    5    HA   ASP   2           HA       ASP   2 -10.321  -4.579  -2.084
    6    HB2  ASP   2           2HB      ASP   2 -11.499  -3.008  -3.590
    7    HB3  ASP   2           1HB      ASP   2 -10.157  -1.879  -3.437
    8    H    CYS   3           H        CYS   3  -8.217  -5.300  -2.096
    9    HA   CYS   3           HA       CYS   3  -6.410  -3.455  -0.847
   10    HB2  CYS   3           2HB      CYS   3  -6.183  -6.437  -1.097
   11    HB3  CYS   3           1HB      CYS   3  -5.043  -5.399  -0.249
   12    H    ARG   4           H        ARG   4  -4.506  -2.903  -1.492
   13    HA   ARG   4           HA       ARG   4  -3.826  -3.345  -4.330
   14    HB2  ARG   4           2HB      ARG   4  -3.862  -0.732  -2.815
   15    HB3  ARG   4           1HB      ARG   4  -3.365  -0.950  -4.477
   16    HG2  ARG   4           2HG      ARG   4  -5.612  -1.422  -5.162
   17    HG3  ARG   4           1HG      ARG   4  -6.154  -1.483  -3.480
   18    HD2  ARG   4           2HD      ARG   4  -6.713   0.651  -4.576
   19    HD3  ARG   4           1HD      ARG   4  -5.647   0.854  -3.189
   20    HE   ARG   4           HE       ARG   4  -4.590   0.762  -5.918
   21   HH11  ARG   4          1HH1      ARG   4  -4.981   2.488  -2.851
   22   HH12  ARG   4          2HH1      ARG   4  -3.860   3.713  -3.221
   23   HH21  ARG   4          1HH2      ARG   4  -3.065   2.463  -6.455
   24   HH22  ARG   4          2HH2      ARG   4  -2.773   3.725  -5.380
   25    H    CYS   5           H        CYS   5  -1.570  -3.556  -4.554
   26    HA   CYS   5           HA       CYS   5  -0.139  -3.064  -2.096
   27    HB2  CYS   5           2HB      CYS   5   0.660  -4.907  -4.317
   28    HB3  CYS   5           1HB      CYS   5   1.554  -4.652  -2.831
   29    H    LEU   6           H        LEU   6   1.365  -1.757  -1.980
   30    HA   LEU   6           HA       LEU   6   2.258  -0.338  -4.417
   31    HB2  LEU   6           2HB      LEU   6   1.812   0.657  -1.598
   32    HB3  LEU   6           1HB      LEU   6   2.851   1.519  -2.704
   33    HG   LEU   6           HG       LEU   6   0.929   1.970  -4.179
   34   HD11  LEU   6          1HD1      LEU   6  -0.439   0.004  -3.741
   35   HD12  LEU   6          2HD1      LEU   6  -1.354   1.490  -3.474
   36   HD13  LEU   6          3HD1      LEU   6  -0.740   0.572  -2.099
   37   HD21  LEU   6          3HD2      LEU   6  -0.256   3.509  -2.712
   38   HD22  LEU   6          1HD2      LEU   6   1.482   3.558  -2.433
   39   HD23  LEU   6          2HD2      LEU   6   0.429   2.704  -1.305
   40    H    CYS   7           H        CYS   7   4.512  -0.051  -4.647
   41    HA   CYS   7           HA       CYS   7   5.937  -1.525  -2.615
   42    HB2  CYS   7           2HB      CYS   7   6.579  -1.424  -5.567
   43    HB3  CYS   7           1HB      CYS   7   7.578  -2.226  -4.357
   44    H    ARG   8           H        ARG   8   7.677  -0.667  -1.678
   45    HA   ARG   8           HA       ARG   8   8.670   1.897  -2.685
   46    HB2  ARG   8           2HB      ARG   8   8.117   1.176   0.209
   47    HB3  ARG   8           1HB      ARG   8   8.840   2.675  -0.347
   48    HG2  ARG   8           2HG      ARG   8   6.024   1.734  -0.878
   49    HG3  ARG   8           1HG      ARG   8   6.514   3.005   0.244
   50    HD2  ARG   8           2HD      ARG   8   7.360   4.330  -1.599
   51    HD3  ARG   8           1HD      ARG   8   6.973   3.043  -2.732
   52    HE   ARG   8           HE       ARG   8   4.972   4.518  -1.179
   53   HH11  ARG   8          1HH1      ARG   8   5.957   2.816  -4.152
   54   HH12  ARG   8          2HH1      ARG   8   4.631   3.334  -5.060
   55   HH21  ARG   8          1HH2      ARG   8   3.093   5.198  -2.479
   56   HH22  ARG   8          2HH2      ARG   8   2.946   4.697  -4.095
   57    H    ARG   9           H        ARG   9  10.723   1.586  -3.202
   58    HA   ARG   9           HA       ARG   9  12.926   1.062  -3.118
   59    HB2  ARG   9           2HB      ARG   9  12.334   0.415  -0.245
   60    HB3  ARG   9           1HB      ARG   9  13.951   0.526  -0.916
   61    HG2  ARG   9           2HG      ARG   9  13.639   2.889  -1.370
   62    HG3  ARG   9           1HG      ARG   9  11.968   2.796  -0.809
   63    HD2  ARG   9           2HD      ARG   9  13.405   3.714   0.928
   64    HD3  ARG   9           1HD      ARG   9  12.737   2.161   1.408
   65    HE   ARG   9           HE       ARG   9  15.351   2.076   0.182
   66   HH11  ARG   9          1HH1      ARG   9  13.536   2.217   3.227
   67   HH12  ARG   9          2HH1      ARG   9  14.821   1.612   4.167
   68   HH21  ARG   9          1HH2      ARG   9  17.112   1.230   1.520
   69   HH22  ARG   9          2HH2      ARG   9  16.833   1.036   3.196
   70    H    GLY  10           H        GLY  10  10.775  -0.995  -3.526
   71    HA2  GLY  10           2HA      GLY  10  11.116  -3.124  -4.492
   72    HA3  GLY  10           1HA      GLY  10  12.592  -3.285  -3.552
   73    H    ASP  11           H        ASP  11  10.637  -2.156  -1.313
   74    HA   ASP  11           HA       ASP  11   9.751  -4.818  -0.489
   75    HB2  ASP  11           2HB      ASP  11  11.109  -3.605   1.176
   76    HB3  ASP  11           1HB      ASP  11  10.001  -2.240   1.096
   77    H    CYS  12           H        CYS  12   7.613  -5.256  -0.488
   78    HA   CYS  12           HA       CYS  12   6.018  -2.998  -1.337
   79    HB2  CYS  12           2HB      CYS  12   5.399  -5.895  -1.742
   80    HB3  CYS  12           1HB      CYS  12   4.479  -4.539  -2.367
   81    H    ARG  13           H        ARG  13   4.254  -2.450  -0.508
   82    HA   ARG  13           HA       ARG  13   3.436  -3.795   1.979
   83    HB2  ARG  13           2HB      ARG  13   4.609  -1.576   2.359
   84    HB3  ARG  13           1HB      ARG  13   3.279  -0.806   1.500
   85    HG2  ARG  13           2HG      ARG  13   2.871  -0.594   3.844
   86    HG3  ARG  13           1HG      ARG  13   1.720  -1.767   3.198
   87    HD2  ARG  13           2HD      ARG  13   2.547  -2.678   5.229
   88    HD3  ARG  13           1HD      ARG  13   3.332  -3.585   3.946
   89    HE   ARG  13           HE       ARG  13   4.512  -1.547   5.658
   90   HH11  ARG  13          1HH1      ARG  13   5.140  -4.040   3.146
   91   HH12  ARG  13          2HH1      ARG  13   6.807  -4.068   3.490
   92   HH21  ARG  13          1HH2      ARG  13   6.791  -1.757   6.116
   93   HH22  ARG  13          2HH2      ARG  13   7.740  -2.845   5.235
   94    H    CYS  14           H        CYS  14   1.284  -4.295   2.052
   95    HA   CYS  14           HA       CYS  14  -0.223  -3.273  -0.175
   96    HB2  CYS  14           2HB      CYS  14  -0.733  -5.766   1.454
   97    HB3  CYS  14           1HB      CYS  14  -1.663  -5.246   0.052
   98    H    ILE  15           H        ILE  15  -1.724  -1.889   0.157
   99    HA   ILE  15           HA       ILE  15  -2.796  -1.576   2.843
  100    HB   ILE  15           HB       ILE  15  -3.428   0.649   2.088
  101   HG12  ILE  15          2HG1      ILE  15  -1.773   0.075  -0.373
  102   HG13  ILE  15          1HG1      ILE  15  -3.526   0.220  -0.334
  103   HG21  ILE  15          1HG2      ILE  15  -1.152   1.664   2.139
  104   HG22  ILE  15          2HG2      ILE  15  -0.471   0.059   1.871
  105   HG23  ILE  15          3HG2      ILE  15  -1.372   0.399   3.349
  106   HD11  ILE  15          3HD1      ILE  15  -1.554   2.412   0.285
  107   HD12  ILE  15          1HD1      ILE  15  -3.312   2.565   0.334
  108   HD13  ILE  15          2HD1      ILE  15  -2.495   2.241  -1.195
  109    H    CYS  16           H        CYS  16  -5.128  -0.774   2.704
  110    HA   CYS  16           HA       CYS  16  -6.401  -1.923   0.374
  111    HB2  CYS  16           2HB      CYS  16  -7.361  -2.388   3.210
  112    HB3  CYS  16           1HB      CYS  16  -8.147  -2.977   1.747
  113    H    THR  17           H        THR  17  -7.814  -0.730  -0.569
  114    HA   THR  17           HA       THR  17  -8.711   1.696   0.815
  115    HB   THR  17           HB       THR  17  -8.208   1.408  -2.110
  116    HG1  THR  17           1HG      THR  17  -6.381   1.990  -0.002
  117   HG21  THR  17          3HG2      THR  17  -9.513   3.335  -1.397
  118   HG22  THR  17          1HG2      THR  17  -7.947   3.872  -2.010
  119   HG23  THR  17          2HG2      THR  17  -8.237   3.805  -0.273
  120    H    ARG  18           H        ARG  18 -10.859   1.815   0.804
  121    HA   ARG  18           HA       ARG  18 -13.075   1.472   0.456
  122    HB2  ARG  18           2HB      ARG  18 -12.157   0.985  -2.348
  123    HB3  ARG  18           1HB      ARG  18 -13.835   1.227  -1.868
  124    HG2  ARG  18           2HG      ARG  18 -11.620   3.249  -1.557
  125    HG3  ARG  18           1HG      ARG  18 -12.853   3.274  -2.818
  126    HD2  ARG  18           2HD      ARG  18 -14.589   3.537  -1.152
  127    HD3  ARG  18           1HD      ARG  18 -13.400   3.410   0.144
  128    HE   ARG  18           HE       ARG  18 -12.847   5.497  -1.709
  129   HH11  ARG  18          1HH1      ARG  18 -14.638   4.643   1.234
  130   HH12  ARG  18          2HH1      ARG  18 -14.735   6.237   1.811
  131   HH21  ARG  18          1HH2      ARG  18 -12.983   7.717  -0.886
  132   HH22  ARG  18          2HH2      ARG  18 -13.837   7.997   0.566
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -10.387   0.613   0.463
    2    HA2  GLY   1           2HA      GLY   1 -11.927  -0.671   1.793
    3    HA3  GLY   1           1HA      GLY   1 -13.066  -0.602   0.457
    4    H    ASP   2           H        ASP   2 -10.346  -1.186  -1.122
    5    HA   ASP   2           HA       ASP   2 -10.656  -4.098  -0.857
    6    HB2  ASP   2           2HB      ASP   2 -11.708  -3.193  -2.918
    7    HB3  ASP   2           1HB      ASP   2 -10.159  -2.503  -3.378
    8    H    CYS   3           H        CYS   3  -8.731  -5.288  -0.933
    9    HA   CYS   3           HA       CYS   3  -6.493  -3.559  -0.426
   10    HB2  CYS   3           2HB      CYS   3  -6.728  -6.456   0.264
   11    HB3  CYS   3           1HB      CYS   3  -5.462  -5.353   0.789
   12    H    ARG   4           H        ARG   4  -4.589  -3.570  -1.354
   13    HA   ARG   4           HA       ARG   4  -4.143  -5.288  -3.695
   14    HB2  ARG   4           2HB      ARG   4  -3.932  -2.273  -3.742
   15    HB3  ARG   4           1HB      ARG   4  -3.607  -3.383  -5.062
   16    HG2  ARG   4           2HG      ARG   4  -5.994  -3.992  -5.093
   17    HG3  ARG   4           1HG      ARG   4  -6.287  -2.783  -3.839
   18    HD2  ARG   4           2HD      ARG   4  -5.177  -2.296  -6.589
   19    HD3  ARG   4           1HD      ARG   4  -6.791  -1.861  -6.020
   20    HE   ARG   4           HE       ARG   4  -5.140  -0.592  -4.300
   21   HH11  ARG   4          1HH1      ARG   4  -5.376  -0.658  -7.843
   22   HH12  ARG   4          2HH1      ARG   4  -4.777   0.921  -8.047
   23   HH21  ARG   4          1HH2      ARG   4  -4.273   1.612  -4.601
   24   HH22  ARG   4          2HH2      ARG   4  -4.150   2.234  -6.163
   25    H    CYS   5           H        CYS   5  -1.833  -4.726  -4.520
   26    HA   CYS   5           HA       CYS   5  -0.348  -4.209  -2.119
   27    HB2  CYS   5           2HB      CYS   5   0.565  -6.000  -4.337
   28    HB3  CYS   5           1HB      CYS   5   1.332  -5.745  -2.775
   29    H    LEU   6           H        LEU   6   1.199  -2.867  -2.015
   30    HA   LEU   6           HA       LEU   6   1.713  -1.194  -4.386
   31    HB2  LEU   6           2HB      LEU   6   1.460  -0.357  -1.496
   32    HB3  LEU   6           1HB      LEU   6   1.792   0.703  -2.847
   33    HG   LEU   6           HG       LEU   6  -0.791  -0.790  -2.377
   34   HD11  LEU   6          1HD1      LEU   6  -0.433   1.007  -0.775
   35   HD12  LEU   6          2HD1      LEU   6  -1.721   1.413  -1.906
   36   HD13  LEU   6          3HD1      LEU   6  -0.117   2.130  -2.093
   37   HD21  LEU   6          3HD2      LEU   6  -0.050   1.248  -4.474
   38   HD22  LEU   6          1HD2      LEU   6  -1.656   0.562  -4.229
   39   HD23  LEU   6          2HD2      LEU   6  -0.324  -0.465  -4.758
   40    H    CYS   7           H        CYS   7   3.852  -0.083  -4.177
   41    HA   CYS   7           HA       CYS   7   5.535  -1.654  -2.443
   42    HB2  CYS   7           2HB      CYS   7   6.359  -0.469  -5.101
   43    HB3  CYS   7           1HB      CYS   7   7.357  -1.476  -4.057
   44    H    ARG   8           H        ARG   8   6.900  -0.737  -1.150
   45    HA   ARG   8           HA       ARG   8   6.836   2.179  -1.003
   46    HB2  ARG   8           2HB      ARG   8   5.696   0.818   0.794
   47    HB3  ARG   8           1HB      ARG   8   7.271   0.170   1.199
   48    HG2  ARG   8           2HG      ARG   8   8.057   2.385   1.806
   49    HG3  ARG   8           1HG      ARG   8   6.509   3.080   1.327
   50    HD2  ARG   8           2HD      ARG   8   6.989   1.114   3.568
   51    HD3  ARG   8           1HD      ARG   8   6.533   2.806   3.724
   52    HE   ARG   8           HE       ARG   8   4.675   1.248   2.182
   53   HH11  ARG   8          1HH1      ARG   8   5.501   2.261   5.468
   54   HH12  ARG   8          2HH1      ARG   8   3.949   1.971   6.093
   55   HH21  ARG   8          1HH2      ARG   8   2.587   0.819   3.020
   56   HH22  ARG   8          2HH2      ARG   8   2.224   1.105   4.670
   57    H    ARG   9           H        ARG   9   8.672   2.650  -2.081
   58    HA   ARG   9           HA       ARG   9  10.866   3.044  -2.475
   59    HB2  ARG   9           2HB      ARG   9  11.267   1.906   0.278
   60    HB3  ARG   9           1HB      ARG   9  12.489   2.757  -0.653
   61    HG2  ARG   9           2HG      ARG   9  11.084   4.774  -0.605
   62    HG3  ARG   9           1HG      ARG   9   9.919   3.910   0.403
   63    HD2  ARG   9           2HD      ARG   9  11.690   3.518   2.067
   64    HD3  ARG   9           1HD      ARG   9  12.805   4.440   1.070
   65    HE   ARG   9           HE       ARG   9  10.673   6.096   1.504
   66   HH11  ARG   9          1HH1      ARG   9  13.046   4.437   3.548
   67   HH12  ARG   9          2HH1      ARG   9  13.006   5.619   4.762
   68   HH21  ARG   9          1HH2      ARG   9  10.605   7.676   3.189
   69   HH22  ARG   9          2HH2      ARG   9  11.579   7.507   4.570
   70    H    GLY  10           H        GLY  10   9.685   0.278  -2.875
   71    HA2  GLY  10           2HA      GLY  10  10.953  -1.230  -4.384
   72    HA3  GLY  10           1HA      GLY  10  12.252  -1.158  -3.205
   73    H    ASP  11           H        ASP  11  10.215  -1.295  -0.994
   74    HA   ASP  11           HA       ASP  11   9.978  -4.192  -0.921
   75    HB2  ASP  11           2HB      ASP  11  10.740  -3.135   1.121
   76    HB3  ASP  11           1HB      ASP  11   9.384  -2.019   1.093
   77    H    CYS  12           H        CYS  12   8.249  -5.093  -1.815
   78    HA   CYS  12           HA       CYS  12   5.865  -3.470  -1.979
   79    HB2  CYS  12           2HB      CYS  12   6.291  -6.150  -3.188
   80    HB3  CYS  12           1HB      CYS  12   4.972  -5.057  -3.524
   81    H    ARG  13           H        ARG  13   4.190  -3.685  -1.031
   82    HA   ARG  13           HA       ARG  13   3.759  -5.911   0.796
   83    HB2  ARG  13           2HB      ARG  13   5.351  -4.264   1.846
   84    HB3  ARG  13           1HB      ARG  13   4.047  -3.089   1.815
   85    HG2  ARG  13           2HG      ARG  13   2.826  -4.238   3.422
   86    HG3  ARG  13           1HG      ARG  13   3.743  -5.730   3.172
   87    HD2  ARG  13           2HD      ARG  13   4.793  -3.169   4.362
   88    HD3  ARG  13           1HD      ARG  13   4.449  -4.661   5.239
   89    HE   ARG  13           HE       ARG  13   6.629  -4.232   3.300
   90   HH11  ARG  13          1HH1      ARG  13   5.164  -6.295   5.795
   91   HH12  ARG  13          2HH1      ARG  13   6.525  -7.297   5.959
   92   HH21  ARG  13          1HH2      ARG  13   8.435  -5.599   3.471
   93   HH22  ARG  13          2HH2      ARG  13   8.471  -6.879   4.606
   94    H    CYS  14           H        CYS  14   1.583  -5.950   1.590
   95    HA   CYS  14           HA       CYS  14  -0.042  -4.513  -0.271
   96    HB2  CYS  14           2HB      CYS  14  -0.868  -6.863   1.415
   97    HB3  CYS  14           1HB      CYS  14  -1.740  -6.196   0.029
   98    H    ILE  15           H        ILE  15  -1.578  -3.155   0.038
   99    HA   ILE  15           HA       ILE  15  -2.177  -2.213   2.749
  100    HB   ILE  15           HB       ILE  15  -1.300  -0.538   0.364
  101   HG12  ILE  15          2HG1      ILE  15   0.618  -1.536   1.486
  102   HG13  ILE  15          1HG1      ILE  15   0.588   0.203   1.753
  103   HG21  ILE  15          1HG2      ILE  15  -3.056   0.639   1.548
  104   HG22  ILE  15          2HG2      ILE  15  -1.509   1.451   1.779
  105   HG23  ILE  15          3HG2      ILE  15  -2.179   0.460   3.070
  106   HD11  ILE  15          3HD1      ILE  15  -0.253  -1.916   3.728
  107   HD12  ILE  15          1HD1      ILE  15  -0.315  -0.171   4.004
  108   HD13  ILE  15          2HD1      ILE  15   1.236  -0.972   3.764
  109    H    CYS  16           H        CYS  16  -4.285  -1.168   2.768
  110    HA   CYS  16           HA       CYS  16  -5.806  -2.038   0.483
  111    HB2  CYS  16           2HB      CYS  16  -6.880  -1.280   3.196
  112    HB3  CYS  16           1HB      CYS  16  -7.780  -2.054   1.889
  113    H    THR  17           H        THR  17  -7.246  -0.811  -0.674
  114    HA   THR  17           HA       THR  17  -7.075   2.075  -0.238
  115    HB   THR  17           HB       THR  17  -6.845   0.792  -2.929
  116    HG1  THR  17           1HG      THR  17  -4.905   1.115  -0.967
  117   HG21  THR  17          3HG2      THR  17  -7.471   3.145  -2.893
  118   HG22  THR  17          1HG2      THR  17  -5.846   2.968  -3.554
  119   HG23  THR  17          2HG2      THR  17  -6.069   3.520  -1.892
  120    H    ARG  18           H        ARG  18  -9.067   2.886  -0.434
  121    HA   ARG  18           HA       ARG  18 -11.259   3.178  -0.809
  122    HB2  ARG  18           2HB      ARG  18 -10.497   1.713  -3.288
  123    HB3  ARG  18           1HB      ARG  18 -12.077   2.460  -3.062
  124    HG2  ARG  18           2HG      ARG  18 -11.098   4.631  -2.837
  125    HG3  ARG  18           1HG      ARG  18  -9.474   3.949  -2.856
  126    HD2  ARG  18           2HD      ARG  18  -9.739   3.270  -5.146
  127    HD3  ARG  18           1HD      ARG  18 -11.429   3.791  -5.136
  128    HE   ARG  18           HE       ARG  18 -10.539   6.041  -4.669
  129   HH11  ARG  18          1HH1      ARG  18  -8.557   3.732  -6.499
  130   HH12  ARG  18          2HH1      ARG  18  -7.677   4.923  -7.311
  131   HH21  ARG  18          1HH2      ARG  18  -9.311   7.687  -5.777
  132   HH22  ARG  18          2HH2      ARG  18  -8.125   7.225  -6.903
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -11.648  -1.151   0.788
    2    HA2  GLY   1           2HA      GLY   1 -12.768  -3.164   0.162
    3    HA3  GLY   1           1HA      GLY   1 -13.744  -2.231  -0.960
    4    H    ASP   2           H        ASP   2 -10.706  -1.142  -1.417
    5    HA   ASP   2           HA       ASP   2 -10.175  -3.209  -3.429
    6    HB2  ASP   2           2HB      ASP   2 -10.786  -1.070  -4.487
    7    HB3  ASP   2           1HB      ASP   2  -9.524  -0.260  -3.562
    8    H    CYS   3           H        CYS   3  -8.346  -4.257  -3.167
    9    HA   CYS   3           HA       CYS   3  -6.466  -3.122  -1.271
   10    HB2  CYS   3           2HB      CYS   3  -6.781  -5.978  -2.113
   11    HB3  CYS   3           1HB      CYS   3  -5.611  -5.374  -0.954
   12    H    ARG   4           H        ARG   4  -4.476  -2.790  -1.712
   13    HA   ARG   4           HA       ARG   4  -3.466  -3.558  -4.362
   14    HB2  ARG   4           2HB      ARG   4  -3.440  -0.730  -3.290
   15    HB3  ARG   4           1HB      ARG   4  -2.589  -1.266  -4.729
   16    HG2  ARG   4           2HG      ARG   4  -4.701  -1.800  -5.797
   17    HG3  ARG   4           1HG      ARG   4  -5.573  -1.346  -4.336
   18    HD2  ARG   4           2HD      ARG   4  -3.902   0.479  -6.060
   19    HD3  ARG   4           1HD      ARG   4  -5.659   0.423  -6.005
   20    HE   ARG   4           HE       ARG   4  -3.858   1.468  -3.966
   21   HH11  ARG   4          1HH1      ARG   4  -7.232   0.717  -4.794
   22   HH12  ARG   4          2HH1      ARG   4  -7.898   2.047  -3.995
   23   HH21  ARG   4          1HH2      ARG   4  -4.772   3.301  -2.801
   24   HH22  ARG   4          2HH2      ARG   4  -6.452   3.563  -2.810
   25    H    CYS   5           H        CYS   5  -1.382  -4.171  -4.293
   26    HA   CYS   5           HA       CYS   5   0.023  -3.548  -1.855
   27    HB2  CYS   5           2HB      CYS   5   0.719  -5.551  -3.966
   28    HB3  CYS   5           1HB      CYS   5   1.692  -5.226  -2.551
   29    H    LEU   6           H        LEU   6   1.397  -2.240  -1.805
   30    HA   LEU   6           HA       LEU   6   2.319  -0.908  -4.278
   31    HB2  LEU   6           2HB      LEU   6   0.999   0.516  -2.816
   32    HB3  LEU   6           1HB      LEU   6   2.051   0.147  -1.469
   33    HG   LEU   6           HG       LEU   6   3.903   1.303  -2.649
   34   HD11  LEU   6          1HD1      LEU   6   1.758   2.105  -4.604
   35   HD12  LEU   6          2HD1      LEU   6   3.149   1.068  -4.937
   36   HD13  LEU   6          3HD1      LEU   6   3.390   2.765  -4.535
   37   HD21  LEU   6          3HD2      LEU   6   3.063   3.568  -2.237
   38   HD22  LEU   6          1HD2      LEU   6   2.593   2.454  -0.955
   39   HD23  LEU   6          2HD2      LEU   6   1.419   2.938  -2.176
   40    H    CYS   7           H        CYS   7   4.321  -1.654  -4.782
   41    HA   CYS   7           HA       CYS   7   6.100  -2.050  -2.562
   42    HB2  CYS   7           2HB      CYS   7   6.524  -2.684  -5.500
   43    HB3  CYS   7           1HB      CYS   7   7.689  -3.025  -4.224
   44    H    ARG   8           H        ARG   8   7.373  -0.590  -1.908
   45    HA   ARG   8           HA       ARG   8   7.915   1.696  -3.646
   46    HB2  ARG   8           2HB      ARG   8   6.395   2.126  -1.736
   47    HB3  ARG   8           1HB      ARG   8   7.654   1.577  -0.641
   48    HG2  ARG   8           2HG      ARG   8   9.075   3.440  -1.396
   49    HG3  ARG   8           1HG      ARG   8   7.766   4.004  -2.426
   50    HD2  ARG   8           2HD      ARG   8   7.723   5.241  -0.349
   51    HD3  ARG   8           1HD      ARG   8   6.310   4.188  -0.443
   52    HE   ARG   8           HE       ARG   8   8.665   3.229   0.973
   53   HH11  ARG   8          1HH1      ARG   8   5.362   4.492   1.188
   54   HH12  ARG   8          2HH1      ARG   8   5.118   3.983   2.780
   55   HH21  ARG   8          1HH2      ARG   8   8.340   2.545   3.171
   56   HH22  ARG   8          2HH2      ARG   8   6.865   2.860   3.967
   57    H    ARG   9           H        ARG   9   9.920   1.326  -4.370
   58    HA   ARG   9           HA       ARG   9  12.159   1.059  -4.456
   59    HB2  ARG   9           2HB      ARG   9  11.790   1.963  -1.681
   60    HB3  ARG   9           1HB      ARG   9  13.407   1.568  -2.261
   61    HG2  ARG   9           2HG      ARG   9  11.585   3.628  -3.529
   62    HG3  ARG   9           1HG      ARG   9  12.893   4.012  -2.405
   63    HD2  ARG   9           2HD      ARG   9  13.182   2.678  -5.115
   64    HD3  ARG   9           1HD      ARG   9  13.653   4.322  -4.689
   65    HE   ARG   9           HE       ARG   9  15.005   2.860  -2.902
   66   HH11  ARG   9          1HH1      ARG   9  14.871   2.589  -6.484
   67   HH12  ARG   9          2HH1      ARG   9  16.443   1.942  -6.578
   68   HH21  ARG   9          1HH2      ARG   9  17.165   1.999  -3.141
   69   HH22  ARG   9          2HH2      ARG   9  17.754   1.608  -4.686
   70    H    GLY  10           H        GLY  10  10.502  -1.110  -3.799
   71    HA2  GLY  10           2HA      GLY  10  11.309  -3.386  -3.938
   72    HA3  GLY  10           1HA      GLY  10  12.638  -2.914  -2.891
   73    H    ASP  11           H        ASP  11  10.548  -1.401  -1.208
   74    HA   ASP  11           HA       ASP  11   9.973  -3.745   0.407
   75    HB2  ASP  11           2HB      ASP  11  10.976  -1.786   1.533
   76    HB3  ASP  11           1HB      ASP  11   9.583  -0.816   1.051
   77    H    CYS  12           H        CYS  12   8.057  -4.677   0.332
   78    HA   CYS  12           HA       CYS  12   6.002  -3.164  -1.025
   79    HB2  CYS  12           2HB      CYS  12   6.032  -6.090  -0.530
   80    HB3  CYS  12           1HB      CYS  12   4.884  -5.211  -1.502
   81    H    ARG  13           H        ARG  13   4.404  -2.561  -0.330
   82    HA   ARG  13           HA       ARG  13   3.573  -3.245   2.426
   83    HB2  ARG  13           2HB      ARG  13   4.340  -0.922   2.196
   84    HB3  ARG  13           1HB      ARG  13   3.216  -0.668   0.877
   85    HG2  ARG  13           2HG      ARG  13   2.311   0.346   2.846
   86    HG3  ARG  13           1HG      ARG  13   1.339  -1.073   2.459
   87    HD2  ARG  13           2HD      ARG  13   1.762  -0.932   4.853
   88    HD3  ARG  13           1HD      ARG  13   2.551  -2.353   4.167
   89    HE   ARG  13           HE       ARG  13   4.407  -0.328   4.091
   90   HH11  ARG  13          1HH1      ARG  13   2.616  -2.044   6.654
   91   HH12  ARG  13          2HH1      ARG  13   3.857  -1.853   7.785
   92   HH21  ARG  13          1HH2      ARG  13   6.063  -0.077   5.668
   93   HH22  ARG  13          2HH2      ARG  13   5.865  -0.714   7.245
   94    H    CYS  14           H        CYS  14   1.757  -4.455   2.312
   95    HA   CYS  14           HA       CYS  14   0.027  -3.916   0.079
   96    HB2  CYS  14           2HB      CYS  14   0.059  -6.277   1.974
   97    HB3  CYS  14           1HB      CYS  14  -1.209  -6.022   0.777
   98    H    ILE  15           H        ILE  15  -1.804  -2.842   0.315
   99    HA   ILE  15           HA       ILE  15  -2.857  -2.501   3.002
  100    HB   ILE  15           HB       ILE  15  -1.367  -0.611   2.713
  101   HG12  ILE  15          2HG1      ILE  15  -4.255   0.247   2.337
  102   HG13  ILE  15          1HG1      ILE  15  -3.479  -0.145   3.864
  103   HG21  ILE  15          1HG2      ILE  15  -2.807  -0.038   0.133
  104   HG22  ILE  15          2HG2      ILE  15  -1.135  -0.576   0.320
  105   HG23  ILE  15          3HG2      ILE  15  -1.615   1.020   0.892
  106   HD11  ILE  15          3HD1      ILE  15  -3.719   2.247   3.554
  107   HD12  ILE  15          1HD1      ILE  15  -2.772   2.157   2.073
  108   HD13  ILE  15          2HD1      ILE  15  -2.018   1.781   3.623
  109    H    CYS  16           H        CYS  16  -5.051  -2.093   3.058
  110    HA   CYS  16           HA       CYS  16  -6.352  -2.274   0.480
  111    HB2  CYS  16           2HB      CYS  16  -7.338  -3.249   3.172
  112    HB3  CYS  16           1HB      CYS  16  -8.319  -3.222   1.715
  113    H    THR  17           H        THR  17  -8.038  -0.823   0.062
  114    HA   THR  17           HA       THR  17  -8.829   0.953   2.210
  115    HB   THR  17           HB       THR  17  -7.843   2.000  -0.394
  116    HG1  THR  17           1HG      THR  17  -6.488   1.279   1.853
  117   HG21  THR  17          3HG2      THR  17  -8.666   3.373   2.162
  118   HG22  THR  17          1HG2      THR  17  -9.460   3.456   0.593
  119   HG23  THR  17          2HG2      THR  17  -7.881   4.213   0.822
  120    H    ARG  18           H        ARG  18 -10.853   1.100   2.113
  121    HA   ARG  18           HA       ARG  18 -13.039   1.178   1.533
  122    HB2  ARG  18           2HB      ARG  18 -11.815   2.455  -0.826
  123    HB3  ARG  18           1HB      ARG  18 -13.552   2.536  -0.479
  124    HG2  ARG  18           2HG      ARG  18 -13.100   3.646   1.625
  125    HG3  ARG  18           1HG      ARG  18 -11.366   3.525   1.351
  126    HD2  ARG  18           2HD      ARG  18 -11.640   4.956  -0.642
  127    HD3  ARG  18           1HD      ARG  18 -13.357   5.109  -0.247
  128    HE   ARG  18           HE       ARG  18 -11.982   5.801   2.016
  129   HH11  ARG  18          1HH1      ARG  18 -12.279   7.047  -1.277
  130   HH12  ARG  18          2HH1      ARG  18 -11.940   8.663  -0.854
  131   HH21  ARG  18          1HH2      ARG  18 -11.532   8.053   2.606
  132   HH22  ARG  18          2HH2      ARG  18 -11.538   9.235   1.375
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -11.545  -0.982   1.106
    2    HA2  GLY   1           2HA      GLY   1 -12.345  -3.117   1.781
    3    HA3  GLY   1           1HA      GLY   1 -13.571  -3.018   0.528
    4    H    ASP   2           H        ASP   2 -11.003  -1.870  -1.030
    5    HA   ASP   2           HA       ASP   2 -10.320  -4.550  -2.009
    6    HB2  ASP   2           2HB      ASP   2 -11.490  -3.104  -3.662
    7    HB3  ASP   2           1HB      ASP   2 -10.207  -1.911  -3.490
    8    H    CYS   3           H        CYS   3  -8.189  -5.075  -2.188
    9    HA   CYS   3           HA       CYS   3  -6.466  -3.162  -0.901
   10    HB2  CYS   3           2HB      CYS   3  -6.054  -6.110  -1.226
   11    HB3  CYS   3           1HB      CYS   3  -4.962  -5.020  -0.396
   12    H    ARG   4           H        ARG   4  -4.766  -2.403  -1.746
   13    HA   ARG   4           HA       ARG   4  -4.113  -3.165  -4.515
   14    HB2  ARG   4           2HB      ARG   4  -3.636  -0.461  -3.226
   15    HB3  ARG   4           1HB      ARG   4  -3.455  -0.879  -4.920
   16    HG2  ARG   4           2HG      ARG   4  -6.011  -0.526  -3.357
   17    HG3  ARG   4           1HG      ARG   4  -5.413   0.453  -4.693
   18    HD2  ARG   4           2HD      ARG   4  -6.401  -2.396  -4.817
   19    HD3  ARG   4           1HD      ARG   4  -7.202  -0.971  -5.464
   20    HE   ARG   4           HE       ARG   4  -4.701  -1.129  -6.649
   21   HH11  ARG   4          1HH1      ARG   4  -7.737  -2.984  -6.589
   22   HH12  ARG   4          2HH1      ARG   4  -7.465  -3.670  -8.137
   23   HH21  ARG   4          1HH2      ARG   4  -4.365  -2.136  -8.749
   24   HH22  ARG   4          2HH2      ARG   4  -5.565  -3.200  -9.350
   25    H    CYS   5           H        CYS   5  -1.765  -3.172  -4.928
   26    HA   CYS   5           HA       CYS   5  -0.353  -3.145  -2.427
   27    HB2  CYS   5           2HB      CYS   5   0.122  -5.003  -4.728
   28    HB3  CYS   5           1HB      CYS   5   1.122  -4.909  -3.288
   29    H    LEU   6           H        LEU   6   1.559  -2.263  -2.263
   30    HA   LEU   6           HA       LEU   6   2.393  -0.564  -4.506
   31    HB2  LEU   6           2HB      LEU   6   1.139   0.650  -2.772
   32    HB3  LEU   6           1HB      LEU   6   2.221   0.032  -1.551
   33    HG   LEU   6           HG       LEU   6   4.075   1.307  -2.634
   34   HD11  LEU   6          1HD1      LEU   6   1.848   2.563  -4.212
   35   HD12  LEU   6          2HD1      LEU   6   3.031   1.441  -4.861
   36   HD13  LEU   6          3HD1      LEU   6   3.556   3.011  -4.244
   37   HD21  LEU   6          3HD2      LEU   6   2.935   2.196  -0.689
   38   HD22  LEU   6          1HD2      LEU   6   1.668   2.874  -1.723
   39   HD23  LEU   6          2HD2      LEU   6   3.312   3.491  -1.830
   40    H    CYS   7           H        CYS   7   4.671  -0.372  -4.670
   41    HA   CYS   7           HA       CYS   7   6.127  -1.797  -2.634
   42    HB2  CYS   7           2HB      CYS   7   6.623  -2.040  -5.618
   43    HB3  CYS   7           1HB      CYS   7   7.723  -2.653  -4.396
   44    H    ARG   8           H        ARG   8   7.790  -0.563  -1.849
   45    HA   ARG   8           HA       ARG   8   8.868   1.496  -3.576
   46    HB2  ARG   8           2HB      ARG   8   8.763   3.175  -1.768
   47    HB3  ARG   8           1HB      ARG   8   7.174   2.665  -2.314
   48    HG2  ARG   8           2HG      ARG   8   7.012   1.193  -0.339
   49    HG3  ARG   8           1HG      ARG   8   8.567   1.801   0.217
   50    HD2  ARG   8           2HD      ARG   8   6.001   3.328  -0.139
   51    HD3  ARG   8           1HD      ARG   8   6.858   3.009   1.362
   52    HE   ARG   8           HE       ARG   8   8.253   4.561  -0.664
   53   HH11  ARG   8          1HH1      ARG   8   6.509   4.603   2.445
   54   HH12  ARG   8          2HH1      ARG   8   6.945   6.197   2.815
   55   HH21  ARG   8          1HH2      ARG   8   8.782   6.773  -0.149
   56   HH22  ARG   8          2HH2      ARG   8   8.282   7.437   1.344
   57    H    ARG   9           H        ARG   9  10.944   1.445  -3.628
   58    HA   ARG   9           HA       ARG   9  13.128   1.073  -3.222
   59    HB2  ARG   9           2HB      ARG   9  12.283   1.222  -0.355
   60    HB3  ARG   9           1HB      ARG   9  13.963   1.226  -0.888
   61    HG2  ARG   9           2HG      ARG   9  13.474   3.290  -2.199
   62    HG3  ARG   9           1HG      ARG   9  11.870   3.304  -1.486
   63    HD2  ARG   9           2HD      ARG   9  13.364   4.823  -0.307
   64    HD3  ARG   9           1HD      ARG   9  12.835   3.508   0.734
   65    HE   ARG   9           HE       ARG   9  15.107   2.513  -0.071
   66   HH11  ARG   9          1HH1      ARG   9  14.475   5.879   0.817
   67   HH12  ARG   9          2HH1      ARG   9  16.012   6.138   1.486
   68   HH21  ARG   9          1HH2      ARG   9  17.171   2.840   0.839
   69   HH22  ARG   9          2HH2      ARG   9  17.599   4.359   1.520
   70    H    GLY  10           H        GLY  10  11.169  -1.110  -3.286
   71    HA2  GLY  10           2HA      GLY  10  11.814  -3.389  -3.690
   72    HA3  GLY  10           1HA      GLY  10  13.022  -3.220  -2.418
   73    H    ASP  11           H        ASP  11  10.774  -1.695  -0.966
   74    HA   ASP  11           HA       ASP  11   9.867  -4.024   0.480
   75    HB2  ASP  11           2HB      ASP  11  10.698  -2.185   1.802
   76    HB3  ASP  11           1HB      ASP  11   9.606  -1.063   1.006
   77    H    CYS  12           H        CYS  12   8.145  -5.004  -0.282
   78    HA   CYS  12           HA       CYS  12   6.054  -3.372  -1.461
   79    HB2  CYS  12           2HB      CYS  12   6.332  -6.341  -1.441
   80    HB3  CYS  12           1HB      CYS  12   5.000  -5.473  -2.161
   81    H    ARG  13           H        ARG  13   4.314  -3.080  -0.726
   82    HA   ARG  13           HA       ARG  13   3.341  -4.497   1.673
   83    HB2  ARG  13           2HB      ARG  13   4.699  -2.544   2.439
   84    HB3  ARG  13           1HB      ARG  13   3.591  -1.490   1.581
   85    HG2  ARG  13           2HG      ARG  13   1.773  -2.163   3.010
   86    HG3  ARG  13           1HG      ARG  13   2.813  -3.310   3.851
   87    HD2  ARG  13           2HD      ARG  13   2.659  -1.332   5.184
   88    HD3  ARG  13           1HD      ARG  13   4.280  -1.399   4.489
   89    HE   ARG  13           HE       ARG  13   2.092   0.305   3.521
   90   HH11  ARG  13          1HH1      ARG  13   5.595  -0.281   3.790
   91   HH12  ARG  13          2HH1      ARG  13   6.010   1.318   3.398
   92   HH21  ARG  13          1HH2      ARG  13   2.690   2.455   2.958
   93   HH22  ARG  13          2HH2      ARG  13   4.315   2.936   2.903
   94    H    CYS  14           H        CYS  14   1.106  -4.644   1.716
   95    HA   CYS  14           HA       CYS  14  -0.172  -3.284  -0.486
   96    HB2  CYS  14           2HB      CYS  14  -1.182  -5.645   1.117
   97    HB3  CYS  14           1HB      CYS  14  -2.005  -4.920  -0.262
   98    H    ILE  15           H        ILE  15  -1.982  -2.067  -0.273
   99    HA   ILE  15           HA       ILE  15  -2.690  -1.282   2.454
  100    HB   ILE  15           HB       ILE  15  -1.289   0.499   1.510
  101   HG12  ILE  15          2HG1      ILE  15  -4.212   1.322   1.461
  102   HG13  ILE  15          1HG1      ILE  15  -3.212   1.191   2.900
  103   HG21  ILE  15          1HG2      ILE  15  -3.186   0.559  -0.834
  104   HG22  ILE  15          2HG2      ILE  15  -1.508   0.025  -0.849
  105   HG23  ILE  15          3HG2      ILE  15  -1.889   1.720  -0.536
  106   HD11  ILE  15          3HD1      ILE  15  -3.485   3.509   2.202
  107   HD12  ILE  15          1HD1      ILE  15  -2.798   3.126   0.627
  108   HD13  ILE  15          2HD1      ILE  15  -1.798   3.009   2.074
  109    H    CYS  16           H        CYS  16  -4.877  -1.144   2.804
  110    HA   CYS  16           HA       CYS  16  -6.467  -1.787   0.458
  111    HB2  CYS  16           2HB      CYS  16  -7.154  -2.400   3.332
  112    HB3  CYS  16           1HB      CYS  16  -8.002  -2.955   1.895
  113    H    THR  17           H        THR  17  -8.237  -0.714  -0.088
  114    HA   THR  17           HA       THR  17  -9.202   1.411   1.639
  115    HB   THR  17           HB       THR  17  -8.352   2.030  -1.200
  116    HG1  THR  17           1HG      THR  17  -6.898   1.944   1.163
  117   HG21  THR  17          3HG2      THR  17 -10.059   3.499  -0.194
  118   HG22  THR  17          1HG2      THR  17  -8.544   4.367  -0.445
  119   HG23  THR  17          2HG2      THR  17  -8.986   3.803   1.165
  120    H    ARG  18           H        ARG  18 -11.345   1.716   1.293
  121    HA   ARG  18           HA       ARG  18 -13.466   1.388   0.689
  122    HB2  ARG  18           2HB      ARG  18 -12.397   0.977  -2.111
  123    HB3  ARG  18           1HB      ARG  18 -14.060   1.326  -1.655
  124    HG2  ARG  18           2HG      ARG  18 -11.709   3.173  -1.277
  125    HG3  ARG  18           1HG      ARG  18 -12.935   3.311  -2.528
  126    HD2  ARG  18           2HD      ARG  18 -14.645   3.682  -0.837
  127    HD3  ARG  18           1HD      ARG  18 -13.449   3.479   0.447
  128    HE   ARG  18           HE       ARG  18 -12.706   5.496  -1.405
  129   HH11  ARG  18          1HH1      ARG  18 -14.762   4.942   1.403
  130   HH12  ARG  18          2HH1      ARG  18 -14.797   6.576   1.874
  131   HH21  ARG  18          1HH2      ARG  18 -12.748   7.703  -0.757
  132   HH22  ARG  18          2HH2      ARG  18 -13.624   8.175   0.631
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1 -11.107  -2.312   1.291
    2    HA2  GLY   1           2HA      GLY   1 -11.916  -4.660   1.089
    3    HA3  GLY   1           1HA      GLY   1 -13.110  -4.027  -0.029
    4    H    ASP   2           H        ASP   2 -10.742  -2.191  -0.988
    5    HA   ASP   2           HA       ASP   2  -9.828  -4.191  -2.926
    6    HB2  ASP   2           2HB      ASP   2 -10.984  -2.257  -3.916
    7    HB3  ASP   2           1HB      ASP   2  -9.852  -1.166  -3.124
    8    H    CYS   3           H        CYS   3  -7.780  -4.857  -2.771
    9    HA   CYS   3           HA       CYS   3  -6.062  -3.114  -1.245
   10    HB2  CYS   3           2HB      CYS   3  -5.711  -5.976  -1.914
   11    HB3  CYS   3           1HB      CYS   3  -4.461  -5.037  -1.145
   12    H    ARG   4           H        ARG   4  -4.828  -2.016  -2.133
   13    HA   ARG   4           HA       ARG   4  -3.861  -2.584  -4.867
   14    HB2  ARG   4           2HB      ARG   4  -5.414  -0.563  -4.384
   15    HB3  ARG   4           1HB      ARG   4  -4.024   0.145  -3.591
   16    HG2  ARG   4           2HG      ARG   4  -4.245   0.997  -5.847
   17    HG3  ARG   4           1HG      ARG   4  -2.770   0.046  -5.686
   18    HD2  ARG   4           2HD      ARG   4  -4.065  -0.382  -7.786
   19    HD3  ARG   4           1HD      ARG   4  -3.749  -1.820  -6.823
   20    HE   ARG   4           HE       ARG   4  -6.191  -1.151  -5.955
   21   HH11  ARG   4          1HH1      ARG   4  -5.020  -1.243  -9.291
   22   HH12  ARG   4          2HH1      ARG   4  -6.485  -1.836  -9.926
   23   HH21  ARG   4          1HH2      ARG   4  -8.146  -1.981  -6.802
   24   HH22  ARG   4          2HH2      ARG   4  -8.297  -2.304  -8.480
   25    H    CYS   5           H        CYS   5  -1.853  -3.412  -4.556
   26    HA   CYS   5           HA       CYS   5  -0.338  -2.394  -2.327
   27    HB2  CYS   5           2HB      CYS   5   0.268  -4.796  -4.022
   28    HB3  CYS   5           1HB      CYS   5   1.095  -4.328  -2.545
   29    H    LEU   6           H        LEU   6   1.445  -1.429  -2.355
   30    HA   LEU   6           HA       LEU   6   2.599  -0.670  -4.972
   31    HB2  LEU   6           2HB      LEU   6   2.237   1.096  -2.541
   32    HB3  LEU   6           1HB      LEU   6   3.008   1.573  -4.040
   33    HG   LEU   6           HG       LEU   6   0.086   0.852  -3.760
   34   HD11  LEU   6          1HD1      LEU   6   1.420   3.531  -4.050
   35   HD12  LEU   6          2HD1      LEU   6   0.622   2.920  -2.601
   36   HD13  LEU   6          3HD1      LEU   6  -0.319   3.237  -4.060
   37   HD21  LEU   6          3HD2      LEU   6   1.635   2.012  -6.081
   38   HD22  LEU   6          1HD2      LEU   6  -0.113   1.793  -6.014
   39   HD23  LEU   6          2HD2      LEU   6   0.948   0.388  -5.991
   40    H    CYS   7           H        CYS   7   4.882  -0.624  -4.994
   41    HA   CYS   7           HA       CYS   7   6.025  -1.554  -2.488
   42    HB2  CYS   7           2HB      CYS   7   6.941  -2.320  -5.267
   43    HB3  CYS   7           1HB      CYS   7   7.628  -2.905  -3.756
   44    H    ARG   8           H        ARG   8   8.060  -0.845  -1.886
   45    HA   ARG   8           HA       ARG   8   9.186   1.388  -3.413
   46    HB2  ARG   8           2HB      ARG   8   7.685   2.079  -1.485
   47    HB3  ARG   8           1HB      ARG   8   8.807   1.241  -0.432
   48    HG2  ARG   8           2HG      ARG   8   9.390   3.500  -0.239
   49    HG3  ARG   8           1HG      ARG   8  10.590   2.835  -1.342
   50    HD2  ARG   8           2HD      ARG   8   8.091   4.260  -2.247
   51    HD3  ARG   8           1HD      ARG   8   9.625   5.075  -1.992
   52    HE   ARG   8           HE       ARG   8  10.442   3.348  -3.713
   53   HH11  ARG   8          1HH1      ARG   8   7.223   4.871  -3.805
   54   HH12  ARG   8          2HH1      ARG   8   7.183   4.951  -5.499
   55   HH21  ARG   8          1HH2      ARG   8  10.335   3.468  -6.029
   56   HH22  ARG   8          2HH2      ARG   8   8.962   4.139  -6.793
   57    H    ARG   9           H        ARG   9  11.089   0.417  -3.996
   58    HA   ARG   9           HA       ARG   9  13.226  -0.335  -3.850
   59    HB2  ARG   9           2HB      ARG   9  12.886   0.299  -0.945
   60    HB3  ARG   9           1HB      ARG   9  14.429  -0.111  -1.690
   61    HG2  ARG   9           2HG      ARG   9  14.262   1.854  -3.113
   62    HG3  ARG   9           1HG      ARG   9  12.706   2.249  -2.375
   63    HD2  ARG   9           2HD      ARG   9  13.764   2.468  -0.218
   64    HD3  ARG   9           1HD      ARG   9  15.322   2.028  -0.918
   65    HE   ARG   9           HE       ARG   9  14.435   4.152  -2.373
   66   HH11  ARG   9          1HH1      ARG   9  15.023   3.555   1.049
   67   HH12  ARG   9          2HH1      ARG   9  15.568   5.123   1.395
   68   HH21  ARG   9          1HH2      ARG   9  15.176   6.352  -1.922
   69   HH22  ARG   9          2HH2      ARG   9  15.665   6.748  -0.339
   70    H    GLY  10           H        GLY  10  10.926  -2.103  -3.302
   71    HA2  GLY  10           2HA      GLY  10  11.302  -4.491  -3.509
   72    HA3  GLY  10           1HA      GLY  10  12.554  -4.330  -2.288
   73    H    ASP  11           H        ASP  11  10.706  -2.474  -0.656
   74    HA   ASP  11           HA       ASP  11   9.310  -4.704   0.501
   75    HB2  ASP  11           2HB      ASP  11   8.904  -3.219   2.422
   76    HB3  ASP  11           1HB      ASP  11  10.616  -3.436   2.119
   77    H    CYS  12           H        CYS  12   7.175  -4.905   0.526
   78    HA   CYS  12           HA       CYS  12   5.823  -2.844  -1.015
   79    HB2  CYS  12           2HB      CYS  12   5.025  -5.711  -0.755
   80    HB3  CYS  12           1HB      CYS  12   4.211  -4.498  -1.712
   81    H    ARG  13           H        ARG  13   4.139  -1.960  -0.440
   82    HA   ARG  13           HA       ARG  13   2.962  -2.591   2.196
   83    HB2  ARG  13           2HB      ARG  13   4.121  -0.408   2.273
   84    HB3  ARG  13           1HB      ARG  13   3.237   0.121   0.849
   85    HG2  ARG  13           2HG      ARG  13   2.311   1.136   2.840
   86    HG3  ARG  13           1HG      ARG  13   1.143   0.012   2.141
   87    HD2  ARG  13           2HD      ARG  13   1.937  -1.701   3.776
   88    HD3  ARG  13           1HD      ARG  13   2.919  -0.451   4.530
   89    HE   ARG  13           HE       ARG  13   0.344   0.542   4.433
   90   HH11  ARG  13          1HH1      ARG  13   1.937  -2.259   5.898
   91   HH12  ARG  13          2HH1      ARG  13   0.887  -2.323   7.236
   92   HH21  ARG  13          1HH2      ARG  13  -1.132   0.399   6.251
   93   HH22  ARG  13          2HH2      ARG  13  -0.897  -0.822   7.419
   94    H    CYS  14           H        CYS  14   0.761  -2.855   2.184
   95    HA   CYS  14           HA       CYS  14  -0.372  -2.431  -0.401
   96    HB2  CYS  14           2HB      CYS  14  -1.235  -4.339   1.752
   97    HB3  CYS  14           1HB      CYS  14  -2.194  -4.021   0.313
   98    H    ILE  15           H        ILE  15  -1.979  -1.080  -0.723
   99    HA   ILE  15           HA       ILE  15  -2.981   0.367   1.591
  100    HB   ILE  15           HB       ILE  15  -3.162   0.991  -1.385
  101   HG12  ILE  15          2HG1      ILE  15  -0.834   1.168  -0.640
  102   HG13  ILE  15          1HG1      ILE  15  -1.485   2.761  -0.990
  103   HG21  ILE  15          1HG2      ILE  15  -3.869   2.719   0.984
  104   HG22  ILE  15          2HG2      ILE  15  -5.004   1.965  -0.132
  105   HG23  ILE  15          3HG2      ILE  15  -3.911   3.224  -0.707
  106   HD11  ILE  15          3HD1      ILE  15  -1.777   3.155   1.412
  107   HD12  ILE  15          1HD1      ILE  15  -0.098   2.796   1.002
  108   HD13  ILE  15          2HD1      ILE  15  -1.105   1.558   1.747
  109    H    CYS  16           H        CYS  16  -4.516  -1.021   2.268
  110    HA   CYS  16           HA       CYS  16  -6.400  -1.981   0.289
  111    HB2  CYS  16           2HB      CYS  16  -6.057  -2.778   3.182
  112    HB3  CYS  16           1HB      CYS  16  -7.273  -3.421   2.083
  113    H    THR  17           H        THR  17  -8.024  -0.872  -0.092
  114    HA   THR  17           HA       THR  17  -9.110   0.676   2.094
  115    HB   THR  17           HB       THR  17  -7.873   2.139   0.883
  116    HG1  THR  17           1HG      THR  17  -9.401   3.637   0.849
  117   HG21  THR  17          3HG2      THR  17  -8.225   2.675  -1.544
  118   HG22  THR  17          1HG2      THR  17  -9.307   1.286  -1.633
  119   HG23  THR  17          2HG2      THR  17  -7.602   1.051  -1.254
  120    H    ARG  18           H        ARG  18 -10.908   0.193   2.531
  121    HA   ARG  18           HA       ARG  18 -13.106  -0.432   2.594
  122    HB2  ARG  18           2HB      ARG  18 -13.128   0.662  -0.196
  123    HB3  ARG  18           1HB      ARG  18 -14.531   0.417   0.844
  124    HG2  ARG  18           2HG      ARG  18 -13.709   2.091   2.391
  125    HG3  ARG  18           1HG      ARG  18 -12.259   2.310   1.412
  126    HD2  ARG  18           2HD      ARG  18 -15.096   2.883   0.576
  127    HD3  ARG  18           1HD      ARG  18 -13.858   4.080   0.949
  128    HE   ARG  18           HE       ARG  18 -13.785   2.227  -1.336
  129   HH11  ARG  18          1HH1      ARG  18 -12.848   5.318   0.120
  130   HH12  ARG  18          2HH1      ARG  18 -12.309   6.003  -1.336
  131   HH21  ARG  18          1HH2      ARG  18 -13.032   3.199  -3.362
  132   HH22  ARG  18          2HH2      ARG  18 -12.447   4.789  -3.341
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -11.246  -1.226   1.231
    2    HA2  GLY   1           2HA      GLY   1 -11.509  -3.474   1.986
    3    HA3  GLY   1           1HA      GLY   1 -12.899  -3.631   0.911
    4    H    ASP   2           H        ASP   2 -10.983  -2.147  -1.063
    5    HA   ASP   2           HA       ASP   2  -9.982  -4.593  -2.256
    6    HB2  ASP   2           2HB      ASP   2 -10.157  -1.739  -3.267
    7    HB3  ASP   2           1HB      ASP   2  -9.440  -3.062  -4.173
    8    H    CYS   3           H        CYS   3  -7.984  -5.186  -1.668
    9    HA   CYS   3           HA       CYS   3  -6.253  -3.049  -0.807
   10    HB2  CYS   3           2HB      CYS   3  -5.743  -5.972  -0.566
   11    HB3  CYS   3           1HB      CYS   3  -4.845  -4.689   0.210
   12    H    ARG   4           H        ARG   4  -4.949  -2.251  -1.835
   13    HA   ARG   4           HA       ARG   4  -3.985  -3.493  -4.317
   14    HB2  ARG   4           2HB      ARG   4  -3.621  -1.153  -5.155
   15    HB3  ARG   4           1HB      ARG   4  -5.300  -1.576  -4.881
   16    HG2  ARG   4           2HG      ARG   4  -5.036  -0.408  -2.615
   17    HG3  ARG   4           1HG      ARG   4  -3.535   0.247  -3.278
   18    HD2  ARG   4           2HD      ARG   4  -5.412   1.802  -3.566
   19    HD3  ARG   4           1HD      ARG   4  -4.786   1.251  -5.129
   20    HE   ARG   4           HE       ARG   4  -6.718  -0.495  -4.764
   21   HH11  ARG   4          1HH1      ARG   4  -6.917   3.018  -4.298
   22   HH12  ARG   4          2HH1      ARG   4  -8.577   3.084  -4.657
   23   HH21  ARG   4          1HH2      ARG   4  -8.927  -0.383  -5.249
   24   HH22  ARG   4          2HH2      ARG   4  -9.736   1.126  -5.204
   25    H    CYS   5           H        CYS   5  -1.801  -3.539  -4.722
   26    HA   CYS   5           HA       CYS   5  -0.334  -2.946  -2.318
   27    HB2  CYS   5           2HB      CYS   5   0.321  -4.970  -4.435
   28    HB3  CYS   5           1HB      CYS   5   1.274  -4.673  -2.987
   29    H    LEU   6           H        LEU   6   1.570  -1.947  -2.259
   30    HA   LEU   6           HA       LEU   6   2.401  -0.499  -4.683
   31    HB2  LEU   6           2HB      LEU   6   2.474   0.471  -1.823
   32    HB3  LEU   6           1HB      LEU   6   2.932   1.379  -3.242
   33    HG   LEU   6           HG       LEU   6   0.135   0.535  -2.500
   34   HD11  LEU   6          1HD1      LEU   6   1.465   3.236  -2.488
   35   HD12  LEU   6          2HD1      LEU   6   1.037   2.276  -1.076
   36   HD13  LEU   6          3HD1      LEU   6  -0.232   2.911  -2.122
   37   HD21  LEU   6          3HD2      LEU   6   1.129   2.197  -4.821
   38   HD22  LEU   6          1HD2      LEU   6  -0.563   1.957  -4.380
   39   HD23  LEU   6          2HD2      LEU   6   0.405   0.589  -4.912
   40    H    CYS   7           H        CYS   7   4.752   0.004  -4.580
   41    HA   CYS   7           HA       CYS   7   6.091  -1.588  -2.559
   42    HB2  CYS   7           2HB      CYS   7   6.944  -1.516  -5.474
   43    HB3  CYS   7           1HB      CYS   7   7.764  -2.382  -4.184
   44    H    ARG   8           H        ARG   8   7.807  -0.646  -1.598
   45    HA   ARG   8           HA       ARG   8   8.996   1.664  -2.891
   46    HB2  ARG   8           2HB      ARG   8   7.342   2.579  -1.274
   47    HB3  ARG   8           1HB      ARG   8   8.067   1.621   0.004
   48    HG2  ARG   8           2HG      ARG   8  10.033   2.913   0.019
   49    HG3  ARG   8           1HG      ARG   8   9.647   3.672  -1.523
   50    HD2  ARG   8           2HD      ARG   8   9.297   5.217   0.338
   51    HD3  ARG   8           1HD      ARG   8   7.778   4.850  -0.466
   52    HE   ARG   8           HE       ARG   8   8.126   3.104   1.696
   53   HH11  ARG   8          1HH1      ARG   8   7.506   6.558   1.110
   54   HH12  ARG   8          2HH1      ARG   8   6.637   6.793   2.541
   55   HH21  ARG   8          1HH2      ARG   8   6.912   3.440   3.665
   56   HH22  ARG   8          2HH2      ARG   8   6.259   4.969   4.020
   57    H    ARG   9           H        ARG   9  11.089   1.440  -2.992
   58    HA   ARG   9           HA       ARG   9  13.228   0.802  -2.600
   59    HB2  ARG   9           2HB      ARG   9  12.240   0.037   0.132
   60    HB3  ARG   9           1HB      ARG   9  13.930   0.100  -0.325
   61    HG2  ARG   9           2HG      ARG   9  13.756   2.495  -0.654
   62    HG3  ARG   9           1HG      ARG   9  12.037   2.439  -0.254
   63    HD2  ARG   9           2HD      ARG   9  12.651   1.466   1.947
   64    HD3  ARG   9           1HD      ARG   9  14.345   1.742   1.544
   65    HE   ARG   9           HE       ARG   9  13.525   4.149   1.245
   66   HH11  ARG   9          1HH1      ARG   9  12.223   1.908   3.673
   67   HH12  ARG   9          2HH1      ARG   9  12.007   3.133   4.846
   68   HH21  ARG   9          1HH2      ARG   9  13.184   5.801   2.872
   69   HH22  ARG   9          2HH2      ARG   9  12.548   5.361   4.383
   70    H    GLY  10           H        GLY  10  11.013  -1.075  -3.378
   71    HA2  GLY  10           2HA      GLY  10  11.172  -3.245  -4.266
   72    HA3  GLY  10           1HA      GLY  10  12.614  -3.509  -3.285
   73    H    ASP  11           H        ASP  11  10.571  -2.185  -1.189
   74    HA   ASP  11           HA       ASP  11   9.740  -4.784  -0.134
   75    HB2  ASP  11           2HB      ASP  11  11.041  -3.115   1.272
   76    HB3  ASP  11           1HB      ASP  11   9.668  -2.030   1.150
   77    H    CYS  12           H        CYS  12   7.747  -5.361  -0.814
   78    HA   CYS  12           HA       CYS  12   5.931  -3.245  -1.558
   79    HB2  CYS  12           2HB      CYS  12   5.592  -6.176  -1.937
   80    HB3  CYS  12           1HB      CYS  12   4.574  -4.926  -2.609
   81    H    ARG  13           H        ARG  13   4.264  -2.742  -0.723
   82    HA   ARG  13           HA       ARG  13   3.258  -4.133   1.684
   83    HB2  ARG  13           2HB      ARG  13   3.795  -1.148   1.498
   84    HB3  ARG  13           1HB      ARG  13   3.066  -1.973   2.875
   85    HG2  ARG  13           2HG      ARG  13   5.075  -3.230   3.246
   86    HG3  ARG  13           1HG      ARG  13   5.812  -2.545   1.808
   87    HD2  ARG  13           2HD      ARG  13   5.739  -0.326   2.875
   88    HD3  ARG  13           1HD      ARG  13   5.066  -1.075   4.335
   89    HE   ARG  13           HE       ARG  13   7.414  -2.371   3.421
   90   HH11  ARG  13          1HH1      ARG  13   6.391   0.470   5.261
   91   HH12  ARG  13          2HH1      ARG  13   7.777   0.522   6.246
   92   HH21  ARG  13          1HH2      ARG  13   9.317  -2.299   4.714
   93   HH22  ARG  13          2HH2      ARG  13   9.546  -1.116   5.902
   94    H    CYS  14           H        CYS  14   0.966  -3.784   2.052
   95    HA   CYS  14           HA       CYS  14  -0.204  -2.737  -0.384
   96    HB2  CYS  14           2HB      CYS  14  -1.328  -4.976   1.292
   97    HB3  CYS  14           1HB      CYS  14  -1.962  -4.399  -0.239
   98    H    ILE  15           H        ILE  15  -1.994  -1.554  -0.347
   99    HA   ILE  15           HA       ILE  15  -2.821  -0.606   2.287
  100    HB   ILE  15           HB       ILE  15  -1.564   1.165   1.196
  101   HG12  ILE  15          2HG1      ILE  15  -4.519   1.770   0.949
  102   HG13  ILE  15          1HG1      ILE  15  -3.595   1.824   2.444
  103   HG21  ILE  15          1HG2      ILE  15  -2.167   2.106  -0.974
  104   HG22  ILE  15          2HG2      ILE  15  -3.398   0.856  -1.166
  105   HG23  ILE  15          3HG2      ILE  15  -1.695   0.409  -1.101
  106   HD11  ILE  15          3HD1      ILE  15  -3.963   4.047   1.519
  107   HD12  ILE  15          1HD1      ILE  15  -3.145   3.570   0.032
  108   HD13  ILE  15          2HD1      ILE  15  -2.247   3.649   1.548
  109    H    CYS  16           H        CYS  16  -4.943  -0.694   2.691
  110    HA   CYS  16           HA       CYS  16  -6.561  -1.721   0.527
  111    HB2  CYS  16           2HB      CYS  16  -7.121  -1.735   3.492
  112    HB3  CYS  16           1HB      CYS  16  -8.106  -2.513   2.255
  113    H    THR  17           H        THR  17  -8.267  -0.743  -0.302
  114    HA   THR  17           HA       THR  17  -9.276   1.646   1.040
  115    HB   THR  17           HB       THR  17  -8.745   1.514  -1.894
  116    HG1  THR  17           1HG      THR  17  -6.976   1.791   0.088
  117   HG21  THR  17          3HG2      THR  17  -9.244   3.832  -0.021
  118   HG22  THR  17          1HG2      THR  17 -10.397   3.147  -1.167
  119   HG23  THR  17          2HG2      THR  17  -8.957   3.979  -1.755
  120    H    ARG  18           H        ARG  18 -11.384   1.457   1.090
  121    HA   ARG  18           HA       ARG  18 -13.508   0.730   0.832
  122    HB2  ARG  18           2HB      ARG  18 -12.592   0.470  -2.011
  123    HB3  ARG  18           1HB      ARG  18 -14.250   0.197  -1.486
  124    HG2  ARG  18           2HG      ARG  18 -12.769   2.798  -1.127
  125    HG3  ARG  18           1HG      ARG  18 -13.880   2.461  -2.460
  126    HD2  ARG  18           2HD      ARG  18 -15.650   1.992  -0.775
  127    HD3  ARG  18           1HD      ARG  18 -14.540   2.507   0.486
  128    HE   ARG  18           HE       ARG  18 -14.490   4.663  -0.934
  129   HH11  ARG  18          1HH1      ARG  18 -17.357   2.621  -0.409
  130   HH12  ARG  18          2HH1      ARG  18 -18.442   3.927  -0.420
  131   HH21  ARG  18          1HH2      ARG  18 -16.022   6.430  -0.976
  132   HH22  ARG  18          2HH2      ARG  18 -17.683   6.139  -0.752
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1 -11.224  -0.797   1.121
    2    HA2  GLY   1           2HA      GLY   1 -12.182  -2.981   1.281
    3    HA3  GLY   1           1HA      GLY   1 -13.394  -2.492   0.105
    4    H    ASP   2           H        ASP   2 -10.595  -1.387  -1.163
    5    HA   ASP   2           HA       ASP   2 -10.202  -3.848  -2.674
    6    HB2  ASP   2           2HB      ASP   2  -9.771  -0.943  -3.386
    7    HB3  ASP   2           1HB      ASP   2  -9.087  -2.256  -4.332
    8    H    CYS   3           H        CYS   3  -8.430  -4.900  -2.127
    9    HA   CYS   3           HA       CYS   3  -6.390  -3.390  -0.784
   10    HB2  CYS   3           2HB      CYS   3  -6.636  -6.331  -1.164
   11    HB3  CYS   3           1HB      CYS   3  -5.371  -5.552  -0.240
   12    H    ARG   4           H        ARG   4  -4.748  -2.801  -1.588
   13    HA   ARG   4           HA       ARG   4  -4.015  -3.700  -4.304
   14    HB2  ARG   4           2HB      ARG   4  -3.971  -0.913  -3.145
   15    HB3  ARG   4           1HB      ARG   4  -3.389  -1.352  -4.742
   16    HG2  ARG   4           2HG      ARG   4  -5.597  -1.927  -5.467
   17    HG3  ARG   4           1HG      ARG   4  -6.231  -1.756  -3.831
   18    HD2  ARG   4           2HD      ARG   4  -6.778   0.179  -5.225
   19    HD3  ARG   4           1HD      ARG   4  -5.746   0.615  -3.864
   20    HE   ARG   4           HE       ARG   4  -4.400   0.045  -6.349
   21   HH11  ARG   4          1HH1      ARG   4  -5.782   2.557  -4.246
   22   HH12  ARG   4          2HH1      ARG   4  -4.843   3.803  -4.917
   23   HH21  ARG   4          1HH2      ARG   4  -3.155   1.806  -7.275
   24   HH22  ARG   4          2HH2      ARG   4  -3.316   3.380  -6.654
   25    H    CYS   5           H        CYS   5  -1.919  -4.339  -4.453
   26    HA   CYS   5           HA       CYS   5  -0.266  -3.591  -2.220
   27    HB2  CYS   5           2HB      CYS   5   0.189  -5.755  -4.253
   28    HB3  CYS   5           1HB      CYS   5   1.267  -5.393  -2.915
   29    H    LEU   6           H        LEU   6   1.481  -2.536  -2.371
   30    HA   LEU   6           HA       LEU   6   2.245  -1.426  -4.996
   31    HB2  LEU   6           2HB      LEU   6   0.844   0.172  -3.796
   32    HB3  LEU   6           1HB      LEU   6   1.882   0.049  -2.392
   33    HG   LEU   6           HG       LEU   6   3.731   1.028  -3.742
   34   HD11  LEU   6          1HD1      LEU   6   3.186   2.194  -5.814
   35   HD12  LEU   6          2HD1      LEU   6   1.564   1.496  -5.781
   36   HD13  LEU   6          3HD1      LEU   6   2.973   0.450  -5.967
   37   HD21  LEU   6          3HD2      LEU   6   2.398   2.380  -2.225
   38   HD22  LEU   6          1HD2      LEU   6   1.228   2.686  -3.508
   39   HD23  LEU   6          2HD2      LEU   6   2.876   3.303  -3.647
   40    H    CYS   7           H        CYS   7   4.438  -1.337  -5.290
   41    HA   CYS   7           HA       CYS   7   5.998  -2.115  -2.985
   42    HB2  CYS   7           2HB      CYS   7   6.736  -2.321  -5.913
   43    HB3  CYS   7           1HB      CYS   7   7.735  -2.868  -4.568
   44    H    ARG   8           H        ARG   8   7.416  -0.824  -2.094
   45    HA   ARG   8           HA       ARG   8   8.257   1.580  -3.487
   46    HB2  ARG   8           2HB      ARG   8   6.083   2.035  -2.241
   47    HB3  ARG   8           1HB      ARG   8   6.940   1.658  -0.757
   48    HG2  ARG   8           2HG      ARG   8   6.895   4.021  -0.948
   49    HG3  ARG   8           1HG      ARG   8   8.536   3.515  -1.339
   50    HD2  ARG   8           2HD      ARG   8   7.877   5.170  -2.932
   51    HD3  ARG   8           1HD      ARG   8   7.944   3.615  -3.748
   52    HE   ARG   8           HE       ARG   8   5.374   4.538  -2.732
   53   HH11  ARG   8          1HH1      ARG   8   7.406   3.805  -5.551
   54   HH12  ARG   8          2HH1      ARG   8   6.184   4.046  -6.695
   55   HH21  ARG   8          1HH2      ARG   8   3.659   4.918  -4.335
   56   HH22  ARG   8          2HH2      ARG   8   4.005   4.735  -5.982
   57    H    ARG   9           H        ARG   9  10.322   2.089  -2.892
   58    HA   ARG   9           HA       ARG   9  12.360   2.077  -1.908
   59    HB2  ARG   9           2HB      ARG   9  11.060   0.986   0.589
   60    HB3  ARG   9           1HB      ARG   9  12.598   1.831   0.493
   61    HG2  ARG   9           2HG      ARG   9   9.832   2.990   0.153
   62    HG3  ARG   9           1HG      ARG   9  10.968   3.295   1.455
   63    HD2  ARG   9           2HD      ARG   9  12.475   4.422  -0.083
   64    HD3  ARG   9           1HD      ARG   9  11.392   4.056  -1.430
   65    HE   ARG   9           HE       ARG   9  10.623   5.722   0.856
   66   HH11  ARG   9          1HH1      ARG   9  10.727   5.233  -2.692
   67   HH12  ARG   9          2HH1      ARG   9   9.755   6.582  -3.031
   68   HH21  ARG   9          1HH2      ARG   9   9.303   7.577   0.345
   69   HH22  ARG   9          2HH2      ARG   9   8.915   7.954  -1.258
   70    H    GLY  10           H        GLY  10  11.033  -0.303  -3.082
   71    HA2  GLY  10           2HA      GLY  10  12.065  -2.282  -3.831
   72    HA3  GLY  10           1HA      GLY  10  13.140  -2.215  -2.443
   73    H    ASP  11           H        ASP  11  10.410  -1.667  -0.938
   74    HA   ASP  11           HA       ASP  11  10.015  -4.528  -0.364
   75    HB2  ASP  11           2HB      ASP  11  10.821  -3.102   1.499
   76    HB3  ASP  11           1HB      ASP  11   9.413  -2.071   1.311
   77    H    CYS  12           H        CYS  12   7.829  -5.324  -0.312
   78    HA   CYS  12           HA       CYS  12   6.047  -3.417  -1.553
   79    HB2  CYS  12           2HB      CYS  12   5.754  -6.376  -1.599
   80    HB3  CYS  12           1HB      CYS  12   4.764  -5.227  -2.452
   81    H    ARG  13           H        ARG  13   4.394  -2.821  -0.796
   82    HA   ARG  13           HA       ARG  13   3.548  -3.765   1.886
   83    HB2  ARG  13           2HB      ARG  13   3.374  -1.008   0.656
   84    HB3  ARG  13           1HB      ARG  13   2.657  -1.455   2.183
   85    HG2  ARG  13           2HG      ARG  13   5.619  -1.469   1.599
   86    HG3  ARG  13           1HG      ARG  13   4.754  -0.153   2.387
   87    HD2  ARG  13           2HD      ARG  13   5.697  -1.369   4.150
   88    HD3  ARG  13           1HD      ARG  13   4.026  -1.906   4.104
   89    HE   ARG  13           HE       ARG  13   6.211  -3.430   2.848
   90   HH11  ARG  13          1HH1      ARG  13   3.357  -3.392   4.983
   91   HH12  ARG  13          2HH1      ARG  13   3.479  -5.048   5.352
   92   HH21  ARG  13          1HH2      ARG  13   6.325  -5.634   3.360
   93   HH22  ARG  13          2HH2      ARG  13   5.214  -6.353   4.452
   94    H    CYS  14           H        CYS  14   1.333  -4.162   2.110
   95    HA   CYS  14           HA       CYS  14  -0.161  -3.551  -0.275
   96    HB2  CYS  14           2HB      CYS  14  -0.686  -5.793   1.692
   97    HB3  CYS  14           1HB      CYS  14  -1.724  -5.407   0.324
   98    H    ILE  15           H        ILE  15  -1.779  -2.199  -0.147
   99    HA   ILE  15           HA       ILE  15  -2.631  -1.380   2.523
  100    HB   ILE  15           HB       ILE  15  -1.264   0.369   1.547
  101   HG12  ILE  15          2HG1      ILE  15  -4.197   1.128   1.371
  102   HG13  ILE  15          1HG1      ILE  15  -3.220   1.096   2.831
  103   HG21  ILE  15          1HG2      ILE  15  -1.377  -0.208  -0.792
  104   HG22  ILE  15          2HG2      ILE  15  -1.815   1.488  -0.577
  105   HG23  ILE  15          3HG2      ILE  15  -3.068   0.285  -0.866
  106   HD11  ILE  15          3HD1      ILE  15  -2.785   2.912   0.472
  107   HD12  ILE  15          1HD1      ILE  15  -1.835   2.898   1.956
  108   HD13  ILE  15          2HD1      ILE  15  -3.538   3.364   1.998
  109    H    CYS  16           H        CYS  16  -4.749  -1.565   2.905
  110    HA   CYS  16           HA       CYS  16  -6.444  -2.062   0.609
  111    HB2  CYS  16           2HB      CYS  16  -7.026  -2.574   3.541
  112    HB3  CYS  16           1HB      CYS  16  -8.091  -2.944   2.190
  113    H    THR  17           H        THR  17  -7.712  -0.619  -0.148
  114    HA   THR  17           HA       THR  17  -8.483   1.592   1.626
  115    HB   THR  17           HB       THR  17  -7.837   1.970  -1.252
  116    HG1  THR  17           1HG      THR  17  -6.104   1.900   1.001
  117   HG21  THR  17          3HG2      THR  17  -9.090   3.744  -0.178
  118   HG22  THR  17          1HG2      THR  17  -7.467   4.325  -0.544
  119   HG23  THR  17          2HG2      THR  17  -7.888   3.862   1.108
  120    H    ARG  18           H        ARG  18 -10.580   1.784   1.609
  121    HA   ARG  18           HA       ARG  18 -12.788   1.640   1.158
  122    HB2  ARG  18           2HB      ARG  18 -11.816   1.943  -1.637
  123    HB3  ARG  18           1HB      ARG  18 -13.495   2.144  -1.137
  124    HG2  ARG  18           2HG      ARG  18 -12.791   4.010   0.339
  125    HG3  ARG  18           1HG      ARG  18 -11.155   3.857  -0.301
  126    HD2  ARG  18           2HD      ARG  18 -12.327   5.644  -1.442
  127    HD3  ARG  18           1HD      ARG  18 -12.026   4.308  -2.555
  128    HE   ARG  18           HE       ARG  18 -14.560   4.116  -1.282
  129   HH11  ARG  18          1HH1      ARG  18 -12.873   5.728  -3.942
  130   HH12  ARG  18          2HH1      ARG  18 -14.270   5.976  -4.883
  131   HH21  ARG  18          1HH2      ARG  18 -16.496   4.437  -2.583
  132   HH22  ARG  18          2HH2      ARG  18 -16.385   5.201  -4.090
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -11.674  -1.527   1.174
    2    HA2  GLY   1           2HA      GLY   1 -11.891  -3.861   1.361
    3    HA3  GLY   1           1HA      GLY   1 -13.178  -3.800   0.163
    4    H    ASP   2           H        ASP   2 -10.815  -2.049  -1.209
    5    HA   ASP   2           HA       ASP   2  -9.839  -4.369  -2.698
    6    HB2  ASP   2           2HB      ASP   2 -11.040  -2.633  -4.002
    7    HB3  ASP   2           1HB      ASP   2  -9.869  -1.437  -3.461
    8    H    CYS   3           H        CYS   3  -7.746  -4.859  -2.552
    9    HA   CYS   3           HA       CYS   3  -6.204  -3.026  -0.963
   10    HB2  CYS   3           2HB      CYS   3  -5.615  -5.882  -1.580
   11    HB3  CYS   3           1HB      CYS   3  -4.697  -4.861  -0.492
   12    H    ARG   4           H        ARG   4  -4.645  -2.014  -1.615
   13    HA   ARG   4           HA       ARG   4  -3.772  -2.290  -4.419
   14    HB2  ARG   4           2HB      ARG   4  -3.770   0.145  -2.618
   15    HB3  ARG   4           1HB      ARG   4  -3.269   0.116  -4.299
   16    HG2  ARG   4           2HG      ARG   4  -5.534  -0.351  -5.002
   17    HG3  ARG   4           1HG      ARG   4  -6.061  -0.457  -3.322
   18    HD2  ARG   4           2HD      ARG   4  -6.652   1.712  -4.210
   19    HD3  ARG   4           1HD      ARG   4  -5.391   1.885  -2.992
   20    HE   ARG   4           HE       ARG   4  -4.478   1.696  -5.716
   21   HH11  ARG   4          1HH1      ARG   4  -5.259   3.873  -3.033
   22   HH12  ARG   4          2HH1      ARG   4  -4.567   5.256  -3.750
   23   HH21  ARG   4          1HH2      ARG   4  -3.506   3.645  -6.709
   24   HH22  ARG   4          2HH2      ARG   4  -3.598   5.127  -5.862
   25    H    CYS   5           H        CYS   5  -1.632  -2.751  -4.646
   26    HA   CYS   5           HA       CYS   5  -0.155  -2.655  -2.179
   27    HB2  CYS   5           2HB      CYS   5   0.449  -4.283  -4.608
   28    HB3  CYS   5           1HB      CYS   5   1.393  -4.288  -3.132
   29    H    LEU   6           H        LEU   6   1.434  -1.565  -1.875
   30    HA   LEU   6           HA       LEU   6   2.474   0.149  -4.031
   31    HB2  LEU   6           2HB      LEU   6   1.361   1.353  -2.204
   32    HB3  LEU   6           1HB      LEU   6   2.402   0.564  -1.039
   33    HG   LEU   6           HG       LEU   6   4.347   1.697  -2.141
   34   HD11  LEU   6          1HD1      LEU   6   3.385   2.195  -4.292
   35   HD12  LEU   6          2HD1      LEU   6   3.883   3.688  -3.494
   36   HD13  LEU   6          3HD1      LEU   6   2.178   3.237  -3.538
   37   HD21  LEU   6          3HD2      LEU   6   3.451   2.515  -0.058
   38   HD22  LEU   6          1HD2      LEU   6   2.201   3.411  -0.926
   39   HD23  LEU   6          2HD2      LEU   6   3.903   3.876  -1.083
   40    H    CYS   7           H        CYS   7   4.433  -0.540  -4.662
   41    HA   CYS   7           HA       CYS   7   6.058  -1.738  -2.590
   42    HB2  CYS   7           2HB      CYS   7   6.170  -2.245  -5.579
   43    HB3  CYS   7           1HB      CYS   7   7.338  -2.886  -4.430
   44    H    ARG   8           H        ARG   8   7.838  -0.561  -2.044
   45    HA   ARG   8           HA       ARG   8   8.975   1.219  -4.055
   46    HB2  ARG   8           2HB      ARG   8   8.346   1.968  -1.200
   47    HB3  ARG   8           1HB      ARG   8   9.458   2.883  -2.202
   48    HG2  ARG   8           2HG      ARG   8   7.654   3.333  -3.794
   49    HG3  ARG   8           1HG      ARG   8   6.531   2.425  -2.779
   50    HD2  ARG   8           2HD      ARG   8   6.883   4.026  -0.971
   51    HD3  ARG   8           1HD      ARG   8   8.042   4.909  -1.962
   52    HE   ARG   8           HE       ARG   8   5.817   4.886  -3.475
   53   HH11  ARG   8          1HH1      ARG   8   6.462   5.935  -0.155
   54   HH12  ARG   8          2HH1      ARG   8   5.206   7.084  -0.125
   55   HH21  ARG   8          1HH2      ARG   8   4.071   6.485  -3.420
   56   HH22  ARG   8          2HH2      ARG   8   3.817   7.396  -2.010
   57    H    ARG   9           H        ARG   9  10.835   0.496  -4.491
   58    HA   ARG   9           HA       ARG   9  13.000  -0.087  -4.400
   59    HB2  ARG   9           2HB      ARG   9  12.867   0.906  -1.587
   60    HB3  ARG   9           1HB      ARG   9  14.358   0.621  -2.473
   61    HG2  ARG   9           2HG      ARG   9  12.273   2.725  -3.033
   62    HG3  ARG   9           1HG      ARG   9  13.916   2.977  -2.445
   63    HD2  ARG   9           2HD      ARG   9  13.117   1.917  -5.161
   64    HD3  ARG   9           1HD      ARG   9  13.740   3.526  -4.816
   65    HE   ARG   9           HE       ARG   9  15.404   1.248  -4.111
   66   HH11  ARG   9          1HH1      ARG   9  14.835   3.959  -6.346
   67   HH12  ARG   9          2HH1      ARG   9  16.370   3.853  -7.060
   68   HH21  ARG   9          1HH2      ARG   9  17.461   1.093  -5.108
   69   HH22  ARG   9          2HH2      ARG   9  17.915   2.171  -6.338
   70    H    GLY  10           H        GLY  10  10.939  -1.914  -3.512
   71    HA2  GLY  10           2HA      GLY  10  11.568  -4.270  -3.405
   72    HA3  GLY  10           1HA      GLY  10  12.715  -3.821  -2.146
   73    H    ASP  11           H        ASP  11  10.659  -1.950  -1.017
   74    HA   ASP  11           HA       ASP  11   9.473  -3.960   0.705
   75    HB2  ASP  11           2HB      ASP  11  10.477  -2.059   1.818
   76    HB3  ASP  11           1HB      ASP  11   9.480  -0.946   0.880
   77    H    CYS  12           H        CYS  12   7.698  -4.898  -0.041
   78    HA   CYS  12           HA       CYS  12   5.717  -3.195  -1.296
   79    HB2  CYS  12           2HB      CYS  12   5.763  -6.154  -1.013
   80    HB3  CYS  12           1HB      CYS  12   4.480  -5.254  -1.765
   81    H    ARG  13           H        ARG  13   4.202  -2.580  -0.491
   82    HA   ARG  13           HA       ARG  13   3.196  -3.649   2.090
   83    HB2  ARG  13           2HB      ARG  13   4.468  -1.547   2.435
   84    HB3  ARG  13           1HB      ARG  13   3.371  -0.723   1.342
   85    HG2  ARG  13           2HG      ARG  13   2.779  -0.211   3.618
   86    HG3  ARG  13           1HG      ARG  13   1.511  -1.208   2.900
   87    HD2  ARG  13           2HD      ARG  13   2.417  -3.178   3.994
   88    HD3  ARG  13           1HD      ARG  13   3.728  -2.228   4.683
   89    HE   ARG  13           HE       ARG  13   0.883  -1.890   5.322
   90   HH11  ARG  13          1HH1      ARG  13   4.287  -1.681   6.292
   91   HH12  ARG  13          2HH1      ARG  13   3.946  -1.421   7.939
   92   HH21  ARG  13          1HH2      ARG  13   0.424  -1.527   7.581
   93   HH22  ARG  13          2HH2      ARG  13   1.696  -1.323   8.695
   94    H    CYS  14           H        CYS  14   1.138  -4.315   1.837
   95    HA   CYS  14           HA       CYS  14  -0.348  -3.059  -0.292
   96    HB2  CYS  14           2HB      CYS  14  -0.870  -5.677   1.111
   97    HB3  CYS  14           1HB      CYS  14  -1.876  -5.017  -0.183
   98    H    ILE  15           H        ILE  15  -1.742  -1.628   0.121
   99    HA   ILE  15           HA       ILE  15  -2.843  -1.450   2.856
  100    HB   ILE  15           HB       ILE  15  -2.586   0.772   0.789
  101   HG12  ILE  15          2HG1      ILE  15  -0.927   0.288   3.288
  102   HG13  ILE  15          1HG1      ILE  15  -0.379  -0.015   1.646
  103   HG21  ILE  15          1HG2      ILE  15  -3.139   2.260   2.670
  104   HG22  ILE  15          2HG2      ILE  15  -3.354   0.855   3.713
  105   HG23  ILE  15          3HG2      ILE  15  -4.441   1.113   2.349
  106   HD11  ILE  15          3HD1      ILE  15  -1.130   2.666   2.788
  107   HD12  ILE  15          1HD1      ILE  15  -0.566   2.366   1.144
  108   HD13  ILE  15          2HD1      ILE  15   0.509   2.074   2.514
  109    H    CYS  16           H        CYS  16  -5.106  -1.306   3.060
  110    HA   CYS  16           HA       CYS  16  -6.475  -1.833   0.548
  111    HB2  CYS  16           2HB      CYS  16  -7.302  -2.777   3.290
  112    HB3  CYS  16           1HB      CYS  16  -8.075  -3.195   1.765
  113    H    THR  17           H        THR  17  -8.194  -0.799  -0.051
  114    HA   THR  17           HA       THR  17  -9.467   1.088   1.768
  115    HB   THR  17           HB       THR  17  -8.450   1.812  -0.958
  116    HG1  THR  17           1HG      THR  17  -7.372   2.032   1.606
  117   HG21  THR  17          3HG2      THR  17 -10.416   3.084  -0.350
  118   HG22  THR  17          1HG2      THR  17  -9.014   4.147  -0.286
  119   HG23  THR  17          2HG2      THR  17  -9.714   3.506   1.206
  120    H    ARG  18           H        ARG  18 -11.579   1.127   1.379
  121    HA   ARG  18           HA       ARG  18 -13.660   0.493   0.667
  122    HB2  ARG  18           2HB      ARG  18 -12.312   0.735  -1.979
  123    HB3  ARG  18           1HB      ARG  18 -14.052   0.556  -1.764
  124    HG2  ARG  18           2HG      ARG  18 -14.168   2.663  -0.598
  125    HG3  ARG  18           1HG      ARG  18 -12.413   2.826  -0.671
  126    HD2  ARG  18           2HD      ARG  18 -12.517   2.934  -3.093
  127    HD3  ARG  18           1HD      ARG  18 -14.267   2.735  -3.035
  128    HE   ARG  18           HE       ARG  18 -14.199   4.831  -1.642
  129   HH11  ARG  18          1HH1      ARG  18 -11.777   4.207  -4.166
  130   HH12  ARG  18          2HH1      ARG  18 -11.567   5.840  -4.557
  131   HH21  ARG  18          1HH2      ARG  18 -13.907   7.042  -2.165
  132   HH22  ARG  18          2HH2      ARG  18 -12.844   7.539  -3.385
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -11.979  -1.175  -0.326
    2    HA2  GLY   1           2HA      GLY   1 -12.464  -3.752   0.879
    3    HA3  GLY   1           1HA      GLY   1 -13.591  -3.433  -0.436
    4    H    ASP   2           H        ASP   2 -10.863  -1.834  -1.431
    5    HA   ASP   2           HA       ASP   2  -9.995  -4.105  -3.023
    6    HB2  ASP   2           2HB      ASP   2  -9.610  -1.129  -3.409
    7    HB3  ASP   2           1HB      ASP   2  -9.064  -2.386  -4.500
    8    H    CYS   3           H        CYS   3  -8.005  -4.845  -2.538
    9    HA   CYS   3           HA       CYS   3  -6.354  -3.035  -1.001
   10    HB2  CYS   3           2HB      CYS   3  -6.032  -5.987  -1.326
   11    HB3  CYS   3           1HB      CYS   3  -4.990  -4.966  -0.359
   12    H    ARG   4           H        ARG   4  -4.780  -2.200  -1.718
   13    HA   ARG   4           HA       ARG   4  -3.914  -2.820  -4.469
   14    HB2  ARG   4           2HB      ARG   4  -4.003  -0.144  -3.059
   15    HB3  ARG   4           1HB      ARG   4  -3.467  -0.410  -4.714
   16    HG2  ARG   4           2HG      ARG   4  -5.728  -1.206  -5.297
   17    HG3  ARG   4           1HG      ARG   4  -6.243  -0.913  -3.645
   18    HD2  ARG   4           2HD      ARG   4  -5.788   1.475  -3.914
   19    HD3  ARG   4           1HD      ARG   4  -5.247   1.191  -5.568
   20    HE   ARG   4           HE       ARG   4  -7.719   0.131  -5.550
   21   HH11  ARG   4          1HH1      ARG   4  -6.467   3.374  -4.807
   22   HH12  ARG   4          2HH1      ARG   4  -7.951   4.160  -5.074
   23   HH21  ARG   4          1HH2      ARG   4  -9.808   1.295  -5.968
   24   HH22  ARG   4          2HH2      ARG   4  -9.820   2.980  -5.748
   25    H    CYS   5           H        CYS   5  -1.811  -3.419  -4.624
   26    HA   CYS   5           HA       CYS   5  -0.238  -2.883  -2.258
   27    HB2  CYS   5           2HB      CYS   5   0.231  -4.992  -4.327
   28    HB3  CYS   5           1HB      CYS   5   1.188  -4.752  -2.881
   29    H    LEU   6           H        LEU   6   1.501  -1.855  -2.249
   30    HA   LEU   6           HA       LEU   6   2.557  -0.814  -4.793
   31    HB2  LEU   6           2HB      LEU   6   2.293   0.667  -2.170
   32    HB3  LEU   6           1HB      LEU   6   3.245   1.249  -3.515
   33    HG   LEU   6           HG       LEU   6   1.250   2.473  -3.522
   34   HD11  LEU   6          1HD1      LEU   6   1.948   1.843  -5.715
   35   HD12  LEU   6          2HD1      LEU   6   0.192   1.937  -5.635
   36   HD13  LEU   6          3HD1      LEU   6   0.986   0.365  -5.631
   37   HD21  LEU   6          3HD2      LEU   6  -0.117   1.075  -2.083
   38   HD22  LEU   6          1HD2      LEU   6  -0.302  -0.110  -3.375
   39   HD23  LEU   6          2HD2      LEU   6  -1.004   1.497  -3.545
   40    H    CYS   7           H        CYS   7   4.684  -1.052  -5.107
   41    HA   CYS   7           HA       CYS   7   6.158  -1.975  -2.788
   42    HB2  CYS   7           2HB      CYS   7   6.837  -2.348  -5.715
   43    HB3  CYS   7           1HB      CYS   7   7.859  -2.882  -4.389
   44    H    ARG   8           H        ARG   8   7.770  -0.771  -1.997
   45    HA   ARG   8           HA       ARG   8   8.673   1.512  -3.577
   46    HB2  ARG   8           2HB      ARG   8   7.946   1.472  -0.637
   47    HB3  ARG   8           1HB      ARG   8   8.759   2.810  -1.437
   48    HG2  ARG   8           2HG      ARG   8   6.829   3.140  -2.889
   49    HG3  ARG   8           1HG      ARG   8   6.022   1.766  -2.142
   50    HD2  ARG   8           2HD      ARG   8   6.824   4.322  -0.746
   51    HD3  ARG   8           1HD      ARG   8   5.200   3.907  -1.285
   52    HE   ARG   8           HE       ARG   8   6.685   2.444   0.801
   53   HH11  ARG   8          1HH1      ARG   8   3.603   3.774  -0.399
   54   HH12  ARG   8          2HH1      ARG   8   2.695   3.156   0.911
   55   HH21  ARG   8          1HH2      ARG   8   5.450   1.689   2.539
   56   HH22  ARG   8          2HH2      ARG   8   3.750   1.900   2.603
   57    H    ARG   9           H        ARG   9  10.623   0.904  -4.146
   58    HA   ARG   9           HA       ARG   9  12.844   0.474  -4.089
   59    HB2  ARG   9           2HB      ARG   9  12.583   1.547  -1.338
   60    HB3  ARG   9           1HB      ARG   9  14.126   1.352  -2.164
   61    HG2  ARG   9           2HG      ARG   9  11.877   3.216  -2.945
   62    HG3  ARG   9           1HG      ARG   9  13.454   3.682  -2.299
   63    HD2  ARG   9           2HD      ARG   9  14.532   2.773  -4.303
   64    HD3  ARG   9           1HD      ARG   9  12.951   2.293  -4.919
   65    HE   ARG   9           HE       ARG   9  13.475   5.087  -4.319
   66   HH11  ARG   9          1HH1      ARG   9  12.875   2.561  -6.750
   67   HH12  ARG   9          2HH1      ARG   9  12.485   3.632  -8.000
   68   HH21  ARG   9          1HH2      ARG   9  12.957   6.580  -6.067
   69   HH22  ARG   9          2HH2      ARG   9  12.509   5.964  -7.596
   70    H    GLY  10           H        GLY  10  11.134  -1.632  -3.192
   71    HA2  GLY  10           2HA      GLY  10  12.295  -3.834  -3.076
   72    HA3  GLY  10           1HA      GLY  10  13.181  -3.156  -1.719
   73    H    ASP  11           H        ASP  11  10.657  -1.826  -0.618
   74    HA   ASP  11           HA       ASP  11   9.710  -4.303   0.476
   75    HB2  ASP  11           2HB      ASP  11   8.849  -3.042   2.334
   76    HB3  ASP  11           1HB      ASP  11  10.555  -2.694   2.139
   77    H    CYS  12           H        CYS  12   7.825  -5.097   0.008
   78    HA   CYS  12           HA       CYS  12   6.020  -3.318  -1.392
   79    HB2  CYS  12           2HB      CYS  12   5.951  -6.299  -1.282
   80    HB3  CYS  12           1HB      CYS  12   4.875  -5.275  -2.192
   81    H    ARG  13           H        ARG  13   4.341  -2.788  -0.694
   82    HA   ARG  13           HA       ARG  13   3.269  -4.010   1.763
   83    HB2  ARG  13           2HB      ARG  13   3.856  -1.080   1.375
   84    HB3  ARG  13           1HB      ARG  13   2.815  -1.685   2.657
   85    HG2  ARG  13           2HG      ARG  13   4.644  -2.954   3.600
   86    HG3  ARG  13           1HG      ARG  13   5.687  -2.497   2.255
   87    HD2  ARG  13           2HD      ARG  13   6.140  -1.198   4.274
   88    HD3  ARG  13           1HD      ARG  13   5.592  -0.190   2.937
   89    HE   ARG  13           HE       ARG  13   3.340  -0.821   4.383
   90   HH11  ARG  13          1HH1      ARG  13   6.423   0.761   5.115
   91   HH12  ARG  13          2HH1      ARG  13   5.740   1.910   6.162
   92   HH21  ARG  13          1HH2      ARG  13   2.413   0.779   5.849
   93   HH22  ARG  13          2HH2      ARG  13   3.431   1.923   6.609
   94    H    CYS  14           H        CYS  14   1.046  -3.811   2.081
   95    HA   CYS  14           HA       CYS  14  -0.292  -2.910  -0.321
   96    HB2  CYS  14           2HB      CYS  14  -1.132  -5.163   1.505
   97    HB3  CYS  14           1HB      CYS  14  -2.013  -4.627   0.085
   98    H    ILE  15           H        ILE  15  -1.877  -1.548  -0.163
   99    HA   ILE  15           HA       ILE  15  -2.804  -0.853   2.527
  100    HB   ILE  15           HB       ILE  15  -1.577   1.018   1.455
  101   HG12  ILE  15          2HG1      ILE  15  -3.362   2.779   1.569
  102   HG13  ILE  15          1HG1      ILE  15  -4.550   1.487   1.687
  103   HG21  ILE  15          1HG2      ILE  15  -2.426   2.159  -0.532
  104   HG22  ILE  15          2HG2      ILE  15  -3.645   0.901  -0.725
  105   HG23  ILE  15          3HG2      ILE  15  -1.936   0.498  -0.881
  106   HD11  ILE  15          3HD1      ILE  15  -2.333   2.039   3.645
  107   HD12  ILE  15          1HD1      ILE  15  -3.514   0.736   3.771
  108   HD13  ILE  15          2HD1      ILE  15  -4.043   2.414   3.864
  109    H    CYS  16           H        CYS  16  -4.981  -1.033   2.885
  110    HA   CYS  16           HA       CYS  16  -6.510  -1.832   0.553
  111    HB2  CYS  16           2HB      CYS  16  -7.044  -2.428   3.472
  112    HB3  CYS  16           1HB      CYS  16  -8.106  -2.901   2.150
  113    H    THR  17           H        THR  17  -8.255  -0.786  -0.086
  114    HA   THR  17           HA       THR  17  -9.118   1.501   1.531
  115    HB   THR  17           HB       THR  17  -9.089   1.425  -1.413
  116    HG1  THR  17           1HG      THR  17  -7.038   2.234   0.409
  117   HG21  THR  17          3HG2      THR  17 -10.444   3.151  -0.412
  118   HG22  THR  17          1HG2      THR  17  -9.044   3.897  -1.180
  119   HG23  THR  17          2HG2      THR  17  -9.087   3.698   0.573
  120    H    ARG  18           H        ARG  18 -11.032   0.990   2.064
  121    HA   ARG  18           HA       ARG  18 -13.269   0.621   2.158
  122    HB2  ARG  18           2HB      ARG  18 -13.198   0.607  -0.857
  123    HB3  ARG  18           1HB      ARG  18 -14.610   0.779   0.184
  124    HG2  ARG  18           2HG      ARG  18 -13.884   2.912   0.952
  125    HG3  ARG  18           1HG      ARG  18 -12.330   2.732   0.140
  126    HD2  ARG  18           2HD      ARG  18 -13.557   2.601  -2.016
  127    HD3  ARG  18           1HD      ARG  18 -15.035   2.975  -1.138
  128    HE   ARG  18           HE       ARG  18 -13.594   5.019  -0.415
  129   HH11  ARG  18          1HH1      ARG  18 -13.613   3.526  -3.613
  130   HH12  ARG  18          2HH1      ARG  18 -13.439   4.992  -4.465
  131   HH21  ARG  18          1HH2      ARG  18 -13.336   7.051  -1.590
  132   HH22  ARG  18          2HH2      ARG  18 -13.310   7.017  -3.300
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -11.114  -0.670   1.082
    2    HA2  GLY   1           2HA      GLY   1 -12.073  -2.734   1.776
    3    HA3  GLY   1           1HA      GLY   1 -13.284  -2.529   0.522
    4    H    ASP   2           H        ASP   2 -10.735  -1.716  -1.157
    5    HA   ASP   2           HA       ASP   2 -10.223  -4.483  -1.902
    6    HB2  ASP   2           2HB      ASP   2 -10.312  -1.979  -3.542
    7    HB3  ASP   2           1HB      ASP   2  -9.472  -3.413  -4.110
    8    H    CYS   3           H        CYS   3  -8.293  -5.238  -1.714
    9    HA   CYS   3           HA       CYS   3  -6.296  -3.410  -0.777
   10    HB2  CYS   3           2HB      CYS   3  -6.183  -6.397  -0.904
   11    HB3  CYS   3           1HB      CYS   3  -5.060  -5.348  -0.053
   12    H    ARG   4           H        ARG   4  -4.617  -2.834  -1.648
   13    HA   ARG   4           HA       ARG   4  -4.003  -3.806  -4.339
   14    HB2  ARG   4           2HB      ARG   4  -3.786  -1.466  -5.106
   15    HB3  ARG   4           1HB      ARG   4  -5.423  -1.837  -4.597
   16    HG2  ARG   4           2HG      ARG   4  -4.723  -0.780  -2.345
   17    HG3  ARG   4           1HG      ARG   4  -3.372  -0.109  -3.254
   18    HD2  ARG   4           2HD      ARG   4  -5.080   1.538  -3.283
   19    HD3  ARG   4           1HD      ARG   4  -5.086   0.797  -4.883
   20    HE   ARG   4           HE       ARG   4  -6.907  -0.417  -3.016
   21   HH11  ARG   4          1HH1      ARG   4  -6.590   2.055  -5.536
   22   HH12  ARG   4          2HH1      ARG   4  -8.265   2.292  -5.729
   23   HH21  ARG   4          1HH2      ARG   4  -9.272  -0.036  -3.256
   24   HH22  ARG   4          2HH2      ARG   4  -9.789   1.085  -4.420
   25    H    CYS   5           H        CYS   5  -1.807  -3.757  -4.840
   26    HA   CYS   5           HA       CYS   5  -0.233  -3.340  -2.450
   27    HB2  CYS   5           2HB      CYS   5   0.438  -5.095  -4.766
   28    HB3  CYS   5           1HB      CYS   5   1.300  -4.991  -3.238
   29    H    LEU   6           H        LEU   6   1.227  -2.066  -2.290
   30    HA   LEU   6           HA       LEU   6   2.341  -0.758  -4.675
   31    HB2  LEU   6           2HB      LEU   6   1.516   0.576  -2.085
   32    HB3  LEU   6           1HB      LEU   6   2.621   1.324  -3.210
   33    HG   LEU   6           HG       LEU   6   0.514   2.332  -3.518
   34   HD11  LEU   6          1HD1      LEU   6  -0.055   1.869  -5.823
   35   HD12  LEU   6          2HD1      LEU   6   0.892   0.389  -5.766
   36   HD13  LEU   6          3HD1      LEU   6   1.687   1.953  -5.566
   37   HD21  LEU   6          3HD2      LEU   6  -1.547   1.098  -4.092
   38   HD22  LEU   6          1HD2      LEU   6  -0.947   0.713  -2.477
   39   HD23  LEU   6          2HD2      LEU   6  -0.689  -0.416  -3.809
   40    H    CYS   7           H        CYS   7   4.532  -0.439  -4.655
   41    HA   CYS   7           HA       CYS   7   5.831  -1.489  -2.274
   42    HB2  CYS   7           2HB      CYS   7   6.750  -1.861  -5.137
   43    HB3  CYS   7           1HB      CYS   7   7.541  -2.504  -3.704
   44    H    ARG   8           H        ARG   8   7.622  -0.347  -1.549
   45    HA   ARG   8           HA       ARG   8   8.595   1.856  -3.221
   46    HB2  ARG   8           2HB      ARG   8   8.139   2.039  -0.221
   47    HB3  ARG   8           1HB      ARG   8   8.878   3.266  -1.221
   48    HG2  ARG   8           2HG      ARG   8   6.729   4.073  -0.783
   49    HG3  ARG   8           1HG      ARG   8   6.607   3.402  -2.409
   50    HD2  ARG   8           2HD      ARG   8   5.572   1.392  -1.528
   51    HD3  ARG   8           1HD      ARG   8   5.812   1.978   0.119
   52    HE   ARG   8           HE       ARG   8   4.241   3.679  -1.602
   53   HH11  ARG   8          1HH1      ARG   8   4.204   1.113   0.830
   54   HH12  ARG   8          2HH1      ARG   8   2.597   1.452   1.331
   55   HH21  ARG   8          1HH2      ARG   8   2.041   4.086  -0.939
   56   HH22  ARG   8          2HH2      ARG   8   1.342   3.160   0.315
   57    H    ARG   9           H        ARG   9  10.771   1.806  -3.367
   58    HA   ARG   9           HA       ARG   9  12.973   1.287  -3.017
   59    HB2  ARG   9           2HB      ARG   9  12.073   0.740  -0.185
   60    HB3  ARG   9           1HB      ARG   9  13.744   0.800  -0.701
   61    HG2  ARG   9           2HG      ARG   9  13.541   3.141  -1.224
   62    HG3  ARG   9           1HG      ARG   9  11.810   3.094  -0.882
   63    HD2  ARG   9           2HD      ARG   9  13.950   2.439   1.134
   64    HD3  ARG   9           1HD      ARG   9  13.186   4.019   0.983
   65    HE   ARG   9           HE       ARG   9  11.133   2.201   1.249
   66   HH11  ARG   9          1HH1      ARG   9  13.886   3.163   3.237
   67   HH12  ARG   9          2HH1      ARG   9  13.060   2.930   4.714
   68   HH21  ARG   9          1HH2      ARG   9  10.019   1.899   3.279
   69   HH22  ARG   9          2HH2      ARG   9  10.837   2.217   4.740
   70    H    GLY  10           H        GLY  10  10.783  -0.899  -3.423
   71    HA2  GLY  10           2HA      GLY  10  11.213  -3.128  -4.128
   72    HA3  GLY  10           1HA      GLY  10  12.614  -3.162  -3.063
   73    H    ASP  11           H        ASP  11  10.653  -1.744  -1.118
   74    HA   ASP  11           HA       ASP  11   9.821  -4.171   0.230
   75    HB2  ASP  11           2HB      ASP  11  10.901  -2.576   1.636
   76    HB3  ASP  11           1HB      ASP  11   9.916  -1.262   1.016
   77    H    CYS  12           H        CYS  12   7.898  -4.971  -0.165
   78    HA   CYS  12           HA       CYS  12   5.903  -3.215  -1.308
   79    HB2  CYS  12           2HB      CYS  12   5.998  -6.182  -1.182
   80    HB3  CYS  12           1HB      CYS  12   4.703  -5.247  -1.898
   81    H    ARG  13           H        ARG  13   4.019  -2.924  -0.618
   82    HA   ARG  13           HA       ARG  13   3.112  -4.266   1.824
   83    HB2  ARG  13           2HB      ARG  13   4.099  -2.169   2.577
   84    HB3  ARG  13           1HB      ARG  13   3.141  -1.276   1.405
   85    HG2  ARG  13           2HG      ARG  13   1.099  -1.969   2.550
   86    HG3  ARG  13           1HG      ARG  13   2.070  -2.844   3.736
   87    HD2  ARG  13           2HD      ARG  13   3.092  -0.799   4.471
   88    HD3  ARG  13           1HD      ARG  13   2.267   0.114   3.200
   89    HE   ARG  13           HE       ARG  13   0.431  -1.302   4.772
   90   HH11  ARG  13          1HH1      ARG  13   2.488   1.555   4.916
   91   HH12  ARG  13          2HH1      ARG  13   1.483   2.413   5.982
   92   HH21  ARG  13          1HH2      ARG  13  -0.961  -0.166   6.228
   93   HH22  ARG  13          2HH2      ARG  13  -0.541   1.386   6.788
   94    H    CYS  14           H        CYS  14   1.021  -4.864   1.646
   95    HA   CYS  14           HA       CYS  14  -0.364  -3.668  -0.563
   96    HB2  CYS  14           2HB      CYS  14  -1.059  -6.190   0.964
   97    HB3  CYS  14           1HB      CYS  14  -1.981  -5.548  -0.391
   98    H    ILE  15           H        ILE  15  -1.592  -2.067  -0.188
   99    HA   ILE  15           HA       ILE  15  -2.620  -1.723   2.523
  100    HB   ILE  15           HB       ILE  15  -1.147   0.092   1.834
  101   HG12  ILE  15          2HG1      ILE  15  -2.688   2.064   2.015
  102   HG13  ILE  15          1HG1      ILE  15  -4.043   0.960   1.823
  103   HG21  ILE  15          1HG2      ILE  15  -2.937   0.486  -0.542
  104   HG22  ILE  15          2HG2      ILE  15  -1.283  -0.114  -0.547
  105   HG23  ILE  15          3HG2      ILE  15  -1.610   1.548  -0.063
  106   HD11  ILE  15          3HD1      ILE  15  -3.693   1.527   4.158
  107   HD12  ILE  15          1HD1      ILE  15  -2.042   0.913   4.073
  108   HD13  ILE  15          2HD1      ILE  15  -3.399  -0.192   3.878
  109    H    CYS  16           H        CYS  16  -4.766  -1.502   2.849
  110    HA   CYS  16           HA       CYS  16  -6.346  -2.028   0.504
  111    HB2  CYS  16           2HB      CYS  16  -7.150  -2.323   3.397
  112    HB3  CYS  16           1HB      CYS  16  -8.027  -2.897   1.977
  113    H    THR  17           H        THR  17  -7.866  -0.792  -0.242
  114    HA   THR  17           HA       THR  17  -8.536   1.613   1.254
  115    HB   THR  17           HB       THR  17  -7.747   1.734  -1.651
  116    HG1  THR  17           1HG      THR  17  -6.163   1.763   0.658
  117   HG21  THR  17          3HG2      THR  17  -9.147   3.557  -0.798
  118   HG22  THR  17          1HG2      THR  17  -7.529   4.145  -1.184
  119   HG23  THR  17          2HG2      THR  17  -7.979   3.854   0.494
  120    H    ARG  18           H        ARG  18 -10.629   2.031   0.991
  121    HA   ARG  18           HA       ARG  18 -12.795   1.793   0.525
  122    HB2  ARG  18           2HB      ARG  18 -11.749   1.283  -2.225
  123    HB3  ARG  18           1HB      ARG  18 -13.449   1.517  -1.843
  124    HG2  ARG  18           2HG      ARG  18 -12.916   3.776  -1.005
  125    HG3  ARG  18           1HG      ARG  18 -11.236   3.530  -1.488
  126    HD2  ARG  18           2HD      ARG  18 -12.452   4.786  -3.188
  127    HD3  ARG  18           1HD      ARG  18 -11.956   3.209  -3.802
  128    HE   ARG  18           HE       ARG  18 -14.607   3.300  -2.679
  129   HH11  ARG  18          1HH1      ARG  18 -12.686   3.613  -5.642
  130   HH12  ARG  18          2HH1      ARG  18 -14.004   3.371  -6.691
  131   HH21  ARG  18          1HH2      ARG  18 -16.429   2.954  -4.169
  132   HH22  ARG  18          2HH2      ARG  18 -16.128   3.004  -5.854
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -11.366  -0.504   0.514
    2    HA2  GLY   1           2HA      GLY   1 -11.882  -2.634   2.176
    3    HA3  GLY   1           1HA      GLY   1 -13.352  -2.474   1.224
    4    H    ASP   2           H        ASP   2 -11.132  -1.419  -0.927
    5    HA   ASP   2           HA       ASP   2 -10.715  -4.097  -1.999
    6    HB2  ASP   2           2HB      ASP   2 -11.930  -2.659  -3.528
    7    HB3  ASP   2           1HB      ASP   2 -10.766  -1.358  -3.298
    8    H    CYS   3           H        CYS   3  -8.635  -4.747  -2.488
    9    HA   CYS   3           HA       CYS   3  -6.677  -3.002  -1.279
   10    HB2  CYS   3           2HB      CYS   3  -6.643  -6.003  -1.494
   11    HB3  CYS   3           1HB      CYS   3  -5.348  -5.030  -0.802
   12    H    ARG   4           H        ARG   4  -4.620  -2.752  -2.166
   13    HA   ARG   4           HA       ARG   4  -4.182  -3.818  -4.855
   14    HB2  ARG   4           2HB      ARG   4  -5.076  -1.533  -5.097
   15    HB3  ARG   4           1HB      ARG   4  -3.832  -0.931  -4.017
   16    HG2  ARG   4           2HG      ARG   4  -2.114  -1.629  -5.644
   17    HG3  ARG   4           1HG      ARG   4  -3.398  -2.154  -6.734
   18    HD2  ARG   4           2HD      ARG   4  -4.254   0.092  -6.878
   19    HD3  ARG   4           1HD      ARG   4  -3.081   0.643  -5.677
   20    HE   ARG   4           HE       ARG   4  -2.207  -0.506  -8.221
   21   HH11  ARG   4          1HH1      ARG   4  -2.446   2.321  -6.085
   22   HH12  ARG   4          2HH1      ARG   4  -1.205   3.196  -6.831
   23   HH21  ARG   4          1HH2      ARG   4  -0.499   0.767  -9.318
   24   HH22  ARG   4          2HH2      ARG   4  -0.105   2.311  -8.731
   25    H    CYS   5           H        CYS   5  -2.119  -4.535  -5.077
   26    HA   CYS   5           HA       CYS   5  -0.389  -4.052  -2.819
   27    HB2  CYS   5           2HB      CYS   5  -0.114  -6.075  -5.024
   28    HB3  CYS   5           1HB      CYS   5   1.012  -5.885  -3.697
   29    H    LEU   6           H        LEU   6   1.611  -3.218  -2.918
   30    HA   LEU   6           HA       LEU   6   2.706  -2.470  -5.454
   31    HB2  LEU   6           2HB      LEU   6   2.957  -0.045  -4.791
   32    HB3  LEU   6           1HB      LEU   6   1.353  -0.551  -5.255
   33    HG   LEU   6           HG       LEU   6   0.798  -0.652  -2.771
   34   HD11  LEU   6          1HD1      LEU   6   3.032  -0.737  -1.841
   35   HD12  LEU   6          2HD1      LEU   6   2.164   0.675  -1.243
   36   HD13  LEU   6          3HD1      LEU   6   3.389   0.859  -2.500
   37   HD21  LEU   6          3HD2      LEU   6   1.562   2.006  -3.962
   38   HD22  LEU   6          1HD2      LEU   6   0.462   1.762  -2.604
   39   HD23  LEU   6          2HD2      LEU   6   0.039   1.147  -4.201
   40    H    CYS   7           H        CYS   7   4.874  -1.512  -5.236
   41    HA   CYS   7           HA       CYS   7   6.026  -2.258  -2.703
   42    HB2  CYS   7           2HB      CYS   7   7.277  -2.671  -5.439
   43    HB3  CYS   7           1HB      CYS   7   8.083  -2.983  -3.907
   44    H    ARG   8           H        ARG   8   7.513  -0.763  -1.922
   45    HA   ARG   8           HA       ARG   8   8.260   1.417  -3.641
   46    HB2  ARG   8           2HB      ARG   8   6.048   2.047  -2.736
   47    HB3  ARG   8           1HB      ARG   8   6.668   1.851  -1.109
   48    HG2  ARG   8           2HG      ARG   8   8.161   3.714  -1.401
   49    HG3  ARG   8           1HG      ARG   8   7.713   3.849  -3.104
   50    HD2  ARG   8           2HD      ARG   8   5.856   4.222  -0.758
   51    HD3  ARG   8           1HD      ARG   8   6.570   5.515  -1.719
   52    HE   ARG   8           HE       ARG   8   5.146   3.630  -3.324
   53   HH11  ARG   8          1HH1      ARG   8   4.691   6.501  -1.301
   54   HH12  ARG   8          2HH1      ARG   8   3.217   6.946  -2.031
   55   HH21  ARG   8          1HH2      ARG   8   3.173   4.215  -4.291
   56   HH22  ARG   8          2HH2      ARG   8   2.305   5.594  -3.781
   57    H    ARG   9           H        ARG   9  10.190   2.183  -3.118
   58    HA   ARG   9           HA       ARG   9  12.184   2.537  -2.133
   59    HB2  ARG   9           2HB      ARG   9  10.611   2.104   0.384
   60    HB3  ARG   9           1HB      ARG   9  12.306   2.560   0.395
   61    HG2  ARG   9           2HG      ARG   9  10.039   4.186  -0.773
   62    HG3  ARG   9           1HG      ARG   9  10.880   4.506   0.745
   63    HD2  ARG   9           2HD      ARG   9  12.050   4.586  -2.035
   64    HD3  ARG   9           1HD      ARG   9  11.745   5.958  -0.972
   65    HE   ARG   9           HE       ARG   9  13.375   4.767   0.572
   66   HH11  ARG   9          1HH1      ARG   9  13.648   4.783  -2.955
   67   HH12  ARG   9          2HH1      ARG   9  15.318   4.504  -2.982
   68   HH21  ARG   9          1HH2      ARG   9  15.658   4.362   0.552
   69   HH22  ARG   9          2HH2      ARG   9  16.499   4.237  -0.924
   70    H    GLY  10           H        GLY  10  11.121  -0.278  -2.645
   71    HA2  GLY  10           2HA      GLY  10  12.574  -2.149  -2.923
   72    HA3  GLY  10           1HA      GLY  10  13.513  -1.581  -1.551
   73    H    ASP  11           H        ASP  11  10.330  -1.260  -0.792
   74    HA   ASP  11           HA       ASP  11  10.218  -3.915   0.460
   75    HB2  ASP  11           2HB      ASP  11  10.665  -2.420   2.241
   76    HB3  ASP  11           1HB      ASP  11   9.589  -1.192   1.591
   77    H    CYS  12           H        CYS  12   8.276  -4.974   0.332
   78    HA   CYS  12           HA       CYS  12   6.293  -3.613  -1.322
   79    HB2  CYS  12           2HB      CYS  12   6.678  -6.560  -0.961
   80    HB3  CYS  12           1HB      CYS  12   5.448  -5.805  -1.943
   81    H    ARG  13           H        ARG  13   4.255  -3.583  -0.857
   82    HA   ARG  13           HA       ARG  13   3.224  -4.998   1.450
   83    HB2  ARG  13           2HB      ARG  13   2.462  -3.000   2.664
   84    HB3  ARG  13           1HB      ARG  13   4.211  -3.076   2.564
   85    HG2  ARG  13           2HG      ARG  13   4.174  -1.428   0.755
   86    HG3  ARG  13           1HG      ARG  13   2.415  -1.340   0.886
   87    HD2  ARG  13           2HD      ARG  13   4.376  -0.697   3.079
   88    HD3  ARG  13           1HD      ARG  13   3.543   0.496   2.083
   89    HE   ARG  13           HE       ARG  13   1.650  -1.184   3.306
   90   HH11  ARG  13          1HH1      ARG  13   4.003   1.294   4.262
   91   HH12  ARG  13          2HH1      ARG  13   3.050   1.881   5.551
   92   HH21  ARG  13          1HH2      ARG  13   0.371  -0.394   5.110
   93   HH22  ARG  13          2HH2      ARG  13   0.958   0.906   6.038
   94    H    CYS  14           H        CYS  14   0.927  -4.980   1.551
   95    HA   CYS  14           HA       CYS  14  -0.189  -3.916  -0.889
   96    HB2  CYS  14           2HB      CYS  14  -1.228  -6.187   0.818
   97    HB3  CYS  14           1HB      CYS  14  -2.013  -5.580  -0.638
   98    H    ILE  15           H        ILE  15  -1.482  -2.269  -0.743
   99    HA   ILE  15           HA       ILE  15  -2.369  -1.532   1.945
  100    HB   ILE  15           HB       ILE  15  -0.819   0.090   0.910
  101   HG12  ILE  15          2HG1      ILE  15  -3.643   1.191   1.039
  102   HG13  ILE  15          1HG1      ILE  15  -2.593   0.934   2.423
  103   HG21  ILE  15          1HG2      ILE  15  -1.460   1.381  -1.084
  104   HG22  ILE  15          2HG2      ILE  15  -2.855   0.324  -1.295
  105   HG23  ILE  15          3HG2      ILE  15  -1.226  -0.335  -1.423
  106   HD11  ILE  15          3HD1      ILE  15  -2.095   2.856   0.155
  107   HD12  ILE  15          1HD1      ILE  15  -1.041   2.615   1.549
  108   HD13  ILE  15          2HD1      ILE  15  -2.663   3.273   1.775
  109    H    CYS  16           H        CYS  16  -4.514  -0.922   2.243
  110    HA   CYS  16           HA       CYS  16  -6.183  -1.594  -0.028
  111    HB2  CYS  16           2HB      CYS  16  -6.872  -2.003   2.889
  112    HB3  CYS  16           1HB      CYS  16  -7.867  -2.460   1.514
  113    H    THR  17           H        THR  17  -8.194  -0.456  -0.214
  114    HA   THR  17           HA       THR  17  -8.409   1.931   1.441
  115    HB   THR  17           HB       THR  17  -8.556   2.040  -1.549
  116    HG1  THR  17           1HG      THR  17  -6.432   2.142   0.171
  117   HG21  THR  17          3HG2      THR  17  -8.484   4.495  -1.235
  118   HG22  THR  17          1HG2      THR  17  -8.434   4.257   0.513
  119   HG23  THR  17          2HG2      THR  17  -9.858   3.768  -0.404
  120    H    ARG  18           H        ARG  18 -10.424   2.274   1.930
  121    HA   ARG  18           HA       ARG  18 -12.605   2.025   2.308
  122    HB2  ARG  18           2HB      ARG  18 -12.783   1.467  -0.651
  123    HB3  ARG  18           1HB      ARG  18 -14.145   1.737   0.429
  124    HG2  ARG  18           2HG      ARG  18 -13.331   3.984   0.916
  125    HG3  ARG  18           1HG      ARG  18 -11.976   3.726  -0.187
  126    HD2  ARG  18           2HD      ARG  18 -13.521   3.434  -2.031
  127    HD3  ARG  18           1HD      ARG  18 -14.892   3.617  -0.948
  128    HE   ARG  18           HE       ARG  18 -12.906   5.739  -1.370
  129   HH11  ARG  18          1HH1      ARG  18 -16.299   4.726  -1.104
  130   HH12  ARG  18          2HH1      ARG  18 -16.933   6.251  -1.495
  131   HH21  ARG  18          1HH2      ARG  18 -13.822   7.893  -1.847
  132   HH22  ARG  18          2HH2      ARG  18 -15.512   8.061  -1.916
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -11.209  -0.680   0.227
    2    HA2  GLY   1           2HA      GLY   1 -13.041  -2.314   0.355
    3    HA3  GLY   1           1HA      GLY   1 -13.569  -1.710  -1.205
    4    H    ASP   2           H        ASP   2 -10.291  -1.734  -1.438
    5    HA   ASP   2           HA       ASP   2 -10.164  -4.589  -2.085
    6    HB2  ASP   2           2HB      ASP   2 -10.735  -3.323  -4.165
    7    HB3  ASP   2           1HB      ASP   2  -9.252  -2.397  -3.963
    8    H    CYS   3           H        CYS   3  -8.068  -5.474  -1.867
    9    HA   CYS   3           HA       CYS   3  -6.322  -3.599  -0.540
   10    HB2  CYS   3           2HB      CYS   3  -6.039  -6.568  -0.618
   11    HB3  CYS   3           1HB      CYS   3  -5.095  -5.466   0.367
   12    H    ARG   4           H        ARG   4  -4.798  -2.819  -1.285
   13    HA   ARG   4           HA       ARG   4  -3.983  -3.486  -4.038
   14    HB2  ARG   4           2HB      ARG   4  -5.206  -1.356  -3.680
   15    HB3  ARG   4           1HB      ARG   4  -3.971  -0.860  -2.542
   16    HG2  ARG   4           2HG      ARG   4  -3.627   0.244  -4.636
   17    HG3  ARG   4           1HG      ARG   4  -2.322  -0.919  -4.381
   18    HD2  ARG   4           2HD      ARG   4  -3.467  -2.512  -5.824
   19    HD3  ARG   4           1HD      ARG   4  -4.773  -1.348  -6.052
   20    HE   ARG   4           HE       ARG   4  -2.370  -0.151  -6.754
   21   HH11  ARG   4          1HH1      ARG   4  -4.515  -2.718  -7.850
   22   HH12  ARG   4          2HH1      ARG   4  -4.111  -2.549  -9.501
   23   HH21  ARG   4          1HH2      ARG   4  -1.815   0.098  -9.060
   24   HH22  ARG   4          2HH2      ARG   4  -2.568  -0.934 -10.183
   25    H    CYS   5           H        CYS   5  -1.667  -3.532  -4.427
   26    HA   CYS   5           HA       CYS   5  -0.228  -3.266  -1.961
   27    HB2  CYS   5           2HB      CYS   5   0.526  -4.913  -4.328
   28    HB3  CYS   5           1HB      CYS   5   1.448  -4.785  -2.843
   29    H    LEU   6           H        LEU   6   1.264  -1.993  -1.713
   30    HA   LEU   6           HA       LEU   6   2.015  -0.252  -3.939
   31    HB2  LEU   6           2HB      LEU   6   0.677   0.799  -2.112
   32    HB3  LEU   6           1HB      LEU   6   1.924   0.342  -0.977
   33    HG   LEU   6           HG       LEU   6   3.523   1.812  -2.194
   34   HD11  LEU   6          1HD1      LEU   6   1.062   2.628  -3.733
   35   HD12  LEU   6          2HD1      LEU   6   2.487   1.812  -4.380
   36   HD13  LEU   6          3HD1      LEU   6   2.613   3.460  -3.761
   37   HD21  LEU   6          3HD2      LEU   6   1.004   3.146  -1.201
   38   HD22  LEU   6          1HD2      LEU   6   2.576   3.920  -1.377
   39   HD23  LEU   6          2HD2      LEU   6   2.364   2.621  -0.207
   40    H    CYS   7           H        CYS   7   4.065  -0.662  -4.561
   41    HA   CYS   7           HA       CYS   7   5.839  -1.627  -2.477
   42    HB2  CYS   7           2HB      CYS   7   6.265  -1.843  -5.470
   43    HB3  CYS   7           1HB      CYS   7   7.207  -2.618  -4.206
   44    H    ARG   8           H        ARG   8   7.521  -0.434  -1.895
   45    HA   ARG   8           HA       ARG   8   8.391   1.704  -3.631
   46    HB2  ARG   8           2HB      ARG   8   6.622   2.586  -2.028
   47    HB3  ARG   8           1HB      ARG   8   7.727   2.182  -0.718
   48    HG2  ARG   8           2HG      ARG   8   9.353   3.746  -1.570
   49    HG3  ARG   8           1HG      ARG   8   8.326   4.081  -2.968
   50    HD2  ARG   8           2HD      ARG   8   6.576   4.908  -1.417
   51    HD3  ARG   8           1HD      ARG   8   7.700   4.679  -0.078
   52    HE   ARG   8           HE       ARG   8   8.753   6.280  -2.191
   53   HH11  ARG   8          1HH1      ARG   8   6.765   6.376   0.717
   54   HH12  ARG   8          2HH1      ARG   8   7.037   8.024   1.038
   55   HH21  ARG   8          1HH2      ARG   8   9.113   8.573  -1.793
   56   HH22  ARG   8          2HH2      ARG   8   8.384   9.310  -0.451
   57    H    ARG   9           H        ARG   9  10.526   1.920  -3.545
   58    HA   ARG   9           HA       ARG   9  12.715   1.655  -3.047
   59    HB2  ARG   9           2HB      ARG   9  11.796   0.699  -0.319
   60    HB3  ARG   9           1HB      ARG   9  13.460   1.021  -0.761
   61    HG2  ARG   9           2HG      ARG   9  11.240   3.051  -0.699
   62    HG3  ARG   9           1HG      ARG   9  12.452   2.822   0.556
   63    HD2  ARG   9           2HD      ARG   9  14.211   3.387  -1.036
   64    HD3  ARG   9           1HD      ARG   9  13.000   3.599  -2.301
   65    HE   ARG   9           HE       ARG   9  12.234   5.216  -0.230
   66   HH11  ARG   9          1HH1      ARG   9  15.103   4.983  -2.283
   67   HH12  ARG   9          2HH1      ARG   9  15.392   6.660  -2.273
   68   HH21  ARG   9          1HH2      ARG   9  12.654   7.469  -0.211
   69   HH22  ARG   9          2HH2      ARG   9  13.992   8.111  -1.066
   70    H    GLY  10           H        GLY  10  10.565  -0.757  -3.366
   71    HA2  GLY  10           2HA      GLY  10  11.309  -2.771  -4.469
   72    HA3  GLY  10           1HA      GLY  10  12.641  -2.825  -3.318
   73    H    ASP  11           H        ASP  11  10.430  -1.787  -1.338
   74    HA   ASP  11           HA       ASP  11   9.755  -4.500  -0.476
   75    HB2  ASP  11           2HB      ASP  11  10.942  -3.046   1.136
   76    HB3  ASP  11           1HB      ASP  11   9.623  -1.884   1.050
   77    H    CYS  12           H        CYS  12   7.729  -5.250  -0.672
   78    HA   CYS  12           HA       CYS  12   5.739  -3.311  -1.485
   79    HB2  CYS  12           2HB      CYS  12   5.577  -6.274  -1.541
   80    HB3  CYS  12           1HB      CYS  12   4.355  -5.186  -2.132
   81    H    ARG  13           H        ARG  13   4.174  -2.780  -0.496
   82    HA   ARG  13           HA       ARG  13   3.446  -4.073   2.061
   83    HB2  ARG  13           2HB      ARG  13   4.639  -1.966   2.494
   84    HB3  ARG  13           1HB      ARG  13   3.541  -1.110   1.431
   85    HG2  ARG  13           2HG      ARG  13   2.935  -0.664   3.708
   86    HG3  ARG  13           1HG      ARG  13   1.688  -1.656   2.965
   87    HD2  ARG  13           2HD      ARG  13   2.655  -3.651   4.029
   88    HD3  ARG  13           1HD      ARG  13   3.876  -2.635   4.795
   89    HE   ARG  13           HE       ARG  13   1.041  -2.088   5.269
   90   HH11  ARG  13          1HH1      ARG  13   4.142  -3.223   6.555
   91   HH12  ARG  13          2HH1      ARG  13   3.664  -3.101   8.176
   92   HH21  ARG  13          1HH2      ARG  13   0.406  -1.906   7.473
   93   HH22  ARG  13          2HH2      ARG  13   1.498  -2.299   8.726
   94    H    CYS  14           H        CYS  14   1.383  -4.778   1.961
   95    HA   CYS  14           HA       CYS  14  -0.280  -3.560  -0.056
   96    HB2  CYS  14           2HB      CYS  14  -0.751  -6.134   1.438
   97    HB3  CYS  14           1HB      CYS  14  -1.722  -5.524   0.097
   98    H    ILE  15           H        ILE  15  -1.912  -2.391   0.266
   99    HA   ILE  15           HA       ILE  15  -2.700  -1.811   3.055
  100    HB   ILE  15           HB       ILE  15  -2.739   0.049   0.650
  101   HG12  ILE  15          2HG1      ILE  15  -0.405  -0.431   1.279
  102   HG13  ILE  15          1HG1      ILE  15  -0.826   1.239   1.629
  103   HG21  ILE  15          1HG2      ILE  15  -3.140   1.839   2.277
  104   HG22  ILE  15          2HG2      ILE  15  -3.179   0.642   3.568
  105   HG23  ILE  15          3HG2      ILE  15  -4.412   0.615   2.309
  106   HD11  ILE  15          3HD1      ILE  15   0.528   0.295   3.394
  107   HD12  ILE  15          1HD1      ILE  15  -0.637  -1.012   3.621
  108   HD13  ILE  15          2HD1      ILE  15  -1.092   0.653   3.992
  109    H    CYS  16           H        CYS  16  -4.979  -1.772   3.372
  110    HA   CYS  16           HA       CYS  16  -6.456  -2.480   0.998
  111    HB2  CYS  16           2HB      CYS  16  -7.305  -2.725   3.890
  112    HB3  CYS  16           1HB      CYS  16  -8.272  -3.222   2.506
  113    H    THR  17           H        THR  17  -7.542  -1.108  -0.081
  114    HA   THR  17           HA       THR  17  -8.167   1.421   1.253
  115    HB   THR  17           HB       THR  17  -7.068   1.184  -1.509
  116    HG1  THR  17           1HG      THR  17  -5.815   0.954   0.896
  117   HG21  THR  17          3HG2      THR  17  -6.417   3.547  -1.061
  118   HG22  THR  17          1HG2      THR  17  -7.307   3.457   0.452
  119   HG23  THR  17          2HG2      THR  17  -8.152   3.267  -1.099
  120    H    ARG  18           H        ARG  18 -10.116   1.975   0.880
  121    HA   ARG  18           HA       ARG  18 -12.230   2.264   0.138
  122    HB2  ARG  18           2HB      ARG  18 -10.859   2.057  -2.504
  123    HB3  ARG  18           1HB      ARG  18 -12.490   2.675  -2.269
  124    HG2  ARG  18           2HG      ARG  18 -11.603   4.462  -0.853
  125    HG3  ARG  18           1HG      ARG  18  -9.972   3.865  -1.110
  126    HD2  ARG  18           2HD      ARG  18 -10.347   5.696  -2.597
  127    HD3  ARG  18           1HD      ARG  18 -10.309   4.211  -3.551
  128    HE   ARG  18           HE       ARG  18 -12.931   4.906  -2.728
  129   HH11  ARG  18          1HH1      ARG  18 -10.496   5.457  -5.218
  130   HH12  ARG  18          2HH1      ARG  18 -11.553   6.166  -6.332
  131   HH21  ARG  18          1HH2      ARG  18 -14.434   5.832  -4.229
  132   HH22  ARG  18          2HH2      ARG  18 -13.898   6.399  -5.738
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -11.672  -1.148   1.086
    2    HA2  GLY   1           2HA      GLY   1 -12.534  -3.321   1.307
    3    HA3  GLY   1           1HA      GLY   1 -13.764  -2.928   0.114
    4    H    ASP   2           H        ASP   2 -10.695  -1.952  -0.918
    5    HA   ASP   2           HA       ASP   2 -10.254  -4.449  -2.393
    6    HB2  ASP   2           2HB      ASP   2 -11.323  -2.928  -3.958
    7    HB3  ASP   2           1HB      ASP   2 -10.263  -1.615  -3.480
    8    H    CYS   3           H        CYS   3  -8.096  -5.022  -2.499
    9    HA   CYS   3           HA       CYS   3  -6.409  -3.212  -1.013
   10    HB2  CYS   3           2HB      CYS   3  -5.976  -6.129  -1.554
   11    HB3  CYS   3           1HB      CYS   3  -4.897  -5.099  -0.638
   12    H    ARG   4           H        ARG   4  -4.738  -2.357  -1.735
   13    HA   ARG   4           HA       ARG   4  -3.831  -2.985  -4.460
   14    HB2  ARG   4           2HB      ARG   4  -5.047  -0.873  -4.476
   15    HB3  ARG   4           1HB      ARG   4  -4.087  -0.279  -3.130
   16    HG2  ARG   4           2HG      ARG   4  -2.080  -0.342  -4.551
   17    HG3  ARG   4           1HG      ARG   4  -3.070  -0.896  -5.900
   18    HD2  ARG   4           2HD      ARG   4  -2.648   1.519  -5.991
   19    HD3  ARG   4           1HD      ARG   4  -4.359   1.145  -5.837
   20    HE   ARG   4           HE       ARG   4  -3.186   1.550  -3.306
   21   HH11  ARG   4          1HH1      ARG   4  -4.339   3.333  -6.132
   22   HH12  ARG   4          2HH1      ARG   4  -4.676   4.768  -5.284
   23   HH21  ARG   4          1HH2      ARG   4  -3.680   3.563  -2.103
   24   HH22  ARG   4          2HH2      ARG   4  -4.265   4.899  -2.972
   25    H    CYS   5           H        CYS   5  -1.872  -3.817  -4.306
   26    HA   CYS   5           HA       CYS   5  -0.246  -3.022  -2.079
   27    HB2  CYS   5           2HB      CYS   5   0.236  -5.215  -4.076
   28    HB3  CYS   5           1HB      CYS   5   1.183  -4.910  -2.626
   29    H    LEU   6           H        LEU   6   1.436  -1.987  -2.150
   30    HA   LEU   6           HA       LEU   6   2.326  -0.940  -4.767
   31    HB2  LEU   6           2HB      LEU   6   0.966   0.702  -3.516
   32    HB3  LEU   6           1HB      LEU   6   2.067   0.571  -2.162
   33    HG   LEU   6           HG       LEU   6   3.868   1.523  -3.594
   34   HD11  LEU   6          1HD1      LEU   6   1.630   1.917  -5.569
   35   HD12  LEU   6          2HD1      LEU   6   3.027   0.860  -5.771
   36   HD13  LEU   6          3HD1      LEU   6   3.246   2.609  -5.694
   37   HD21  LEU   6          3HD2      LEU   6   1.367   3.191  -3.352
   38   HD22  LEU   6          1HD2      LEU   6   3.005   3.809  -3.578
   39   HD23  LEU   6          2HD2      LEU   6   2.583   2.949  -2.095
   40    H    CYS   7           H        CYS   7   4.541  -1.017  -5.047
   41    HA   CYS   7           HA       CYS   7   6.006  -1.835  -2.682
   42    HB2  CYS   7           2HB      CYS   7   6.769  -2.345  -5.561
   43    HB3  CYS   7           1HB      CYS   7   7.625  -2.922  -4.137
   44    H    ARG   8           H        ARG   8   7.768  -0.819  -2.044
   45    HA   ARG   8           HA       ARG   8   8.676   1.508  -3.519
   46    HB2  ARG   8           2HB      ARG   8   6.854   2.315  -2.122
   47    HB3  ARG   8           1HB      ARG   8   7.522   1.499  -0.730
   48    HG2  ARG   8           2HG      ARG   8   9.279   3.038  -0.539
   49    HG3  ARG   8           1HG      ARG   8   8.966   3.726  -2.140
   50    HD2  ARG   8           2HD      ARG   8   7.045   3.810   0.184
   51    HD3  ARG   8           1HD      ARG   8   8.130   5.127  -0.252
   52    HE   ARG   8           HE       ARG   8   6.937   4.836  -2.536
   53   HH11  ARG   8          1HH1      ARG   8   5.324   4.644   0.622
   54   HH12  ARG   8          2HH1      ARG   8   3.885   5.367   0.089
   55   HH21  ARG   8          1HH2      ARG   8   4.961   5.818  -3.257
   56   HH22  ARG   8          2HH2      ARG   8   3.653   6.025  -2.197
   57    H    ARG   9           H        ARG   9  10.792   1.491  -3.509
   58    HA   ARG   9           HA       ARG   9  12.986   1.266  -2.966
   59    HB2  ARG   9           2HB      ARG   9  12.053   0.814  -0.139
   60    HB3  ARG   9           1HB      ARG   9  13.689   1.228  -0.618
   61    HG2  ARG   9           2HG      ARG   9  11.248   2.980  -0.871
   62    HG3  ARG   9           1HG      ARG   9  12.530   3.146   0.327
   63    HD2  ARG   9           2HD      ARG   9  12.887   3.399  -2.653
   64    HD3  ARG   9           1HD      ARG   9  12.688   4.752  -1.541
   65    HE   ARG   9           HE       ARG   9  14.836   3.054  -0.786
   66   HH11  ARG   9          1HH1      ARG   9  13.953   5.616  -3.054
   67   HH12  ARG   9          2HH1      ARG   9  15.530   6.245  -3.172
   68   HH21  ARG   9          1HH2      ARG   9  16.988   3.896  -0.953
   69   HH22  ARG   9          2HH2      ARG   9  17.320   5.233  -1.958
   70    H    GLY  10           H        GLY  10  11.163  -1.082  -3.421
   71    HA2  GLY  10           2HA      GLY  10  11.862  -3.278  -3.968
   72    HA3  GLY  10           1HA      GLY  10  13.170  -3.127  -2.806
   73    H    ASP  11           H        ASP  11  10.576  -1.970  -1.237
   74    HA   ASP  11           HA       ASP  11   9.928  -4.581  -0.051
   75    HB2  ASP  11           2HB      ASP  11  10.979  -3.060   1.550
   76    HB3  ASP  11           1HB      ASP  11   9.857  -1.780   1.112
   77    H    CYS  12           H        CYS  12   7.756  -5.166   0.047
   78    HA   CYS  12           HA       CYS  12   6.052  -3.280  -1.346
   79    HB2  CYS  12           2HB      CYS  12   5.656  -6.234  -1.118
   80    HB3  CYS  12           1HB      CYS  12   4.584  -5.133  -1.942
   81    H    ARG  13           H        ARG  13   4.267  -2.646  -0.689
   82    HA   ARG  13           HA       ARG  13   3.439  -3.260   2.073
   83    HB2  ARG  13           2HB      ARG  13   4.488  -1.108   2.076
   84    HB3  ARG  13           1HB      ARG  13   3.637  -0.629   0.620
   85    HG2  ARG  13           2HG      ARG  13   1.507  -0.731   1.887
   86    HG3  ARG  13           1HG      ARG  13   2.439  -1.069   3.341
   87    HD2  ARG  13           2HD      ARG  13   3.558   1.064   3.163
   88    HD3  ARG  13           1HD      ARG  13   2.794   1.363   1.601
   89    HE   ARG  13           HE       ARG  13   0.987   0.924   3.794
   90   HH11  ARG  13          1HH1      ARG  13   2.821   3.325   1.962
   91   HH12  ARG  13          2HH1      ARG  13   1.793   4.629   2.322
   92   HH21  ARG  13          1HH2      ARG  13  -0.474   2.741   4.279
   93   HH22  ARG  13          2HH2      ARG  13  -0.134   4.279   3.628
   94    H    CYS  14           H        CYS  14   1.413  -4.097   2.040
   95    HA   CYS  14           HA       CYS  14  -0.175  -3.375  -0.201
   96    HB2  CYS  14           2HB      CYS  14  -0.575  -5.544   1.853
   97    HB3  CYS  14           1HB      CYS  14  -1.803  -5.159   0.653
   98    H    ILE  15           H        ILE  15  -1.821  -1.984  -0.159
   99    HA   ILE  15           HA       ILE  15  -2.653  -0.951   2.465
  100    HB   ILE  15           HB       ILE  15  -2.819   0.482  -0.202
  101   HG12  ILE  15          2HG1      ILE  15  -0.660   0.853   1.892
  102   HG13  ILE  15          1HG1      ILE  15  -0.433  -0.043   0.391
  103   HG21  ILE  15          1HG2      ILE  15  -4.311   1.318   1.515
  104   HG22  ILE  15          2HG2      ILE  15  -2.995   2.480   1.276
  105   HG23  ILE  15          3HG2      ILE  15  -2.978   1.403   2.665
  106   HD11  ILE  15          3HD1      ILE  15  -0.865   1.985  -0.889
  107   HD12  ILE  15          1HD1      ILE  15   0.463   2.218   0.247
  108   HD13  ILE  15          2HD1      ILE  15  -1.133   2.882   0.606
  109    H    CYS  16           H        CYS  16  -4.773  -1.440   2.885
  110    HA   CYS  16           HA       CYS  16  -6.419  -2.041   0.568
  111    HB2  CYS  16           2HB      CYS  16  -6.847  -2.895   3.437
  112    HB3  CYS  16           1HB      CYS  16  -7.881  -3.326   2.081
  113    H    THR  17           H        THR  17  -7.965  -0.719   0.014
  114    HA   THR  17           HA       THR  17  -9.200   0.927   2.026
  115    HB   THR  17           HB       THR  17  -7.317   2.169   1.152
  116    HG1  THR  17           1HG      THR  17  -9.375   3.208   1.731
  117   HG21  THR  17          3HG2      THR  17  -8.703   2.008  -1.523
  118   HG22  THR  17          1HG2      THR  17  -7.131   1.329  -1.111
  119   HG23  THR  17          2HG2      THR  17  -7.343   3.079  -1.179
  120    H    ARG  18           H        ARG  18 -11.205   1.544   1.477
  121    HA   ARG  18           HA       ARG  18 -13.302   1.414   0.627
  122    HB2  ARG  18           2HB      ARG  18 -11.884   1.180  -2.018
  123    HB3  ARG  18           1HB      ARG  18 -13.565   1.648  -1.775
  124    HG2  ARG  18           2HG      ARG  18 -12.880   3.682  -0.657
  125    HG3  ARG  18           1HG      ARG  18 -11.187   3.198  -0.769
  126    HD2  ARG  18           2HD      ARG  18 -11.417   3.202  -3.243
  127    HD3  ARG  18           1HD      ARG  18 -13.051   3.834  -3.048
  128    HE   ARG  18           HE       ARG  18 -11.369   5.493  -1.631
  129   HH11  ARG  18          1HH1      ARG  18 -11.829   4.575  -5.019
  130   HH12  ARG  18          2HH1      ARG  18 -11.187   5.995  -5.670
  131   HH21  ARG  18          1HH2      ARG  18 -10.460   7.494  -2.503
  132   HH22  ARG  18          2HH2      ARG  18 -10.397   7.707  -4.178