*HEADER    ANTIMICROBIAL PROTEIN                   02-JAN-13   2M2S              
*TITLE     SOLUTION STRUCTURE OF THE ANTIMICROBIAL PEPTIDE [ABA5,7,12,14]BTD-2   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: [ABA5,7,12,14]BTD-2;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS                         
*KEYWDS    THETA-DEFENSIN, CYCLIC PEPTIDES, CYCLIC CYSTINE LADDER, DISULFIDE     
*KEYWDS   2 BOND, ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.C.CONIBEAR, K.ROSENGREN, N.L.DALY, S.TROIERA HENRIQUES, D.J.CRAIK   
*REVDAT   1   27-FEB-13 2M2S    0                                                


! H proton - H proton
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.660    0.860    0.860  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.905    1.105    1.105  
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.830    1.030    1.030  
assign (resid  18 and name   HN)   (resid  18 and name   HA)   2.255    0.455    0.455  
assign (resid  18 and name   HN)   (resid  18 and name  HB2)   2.970    1.170    1.170  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.830    1.030    1.030  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.970    1.170    1.170  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   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  HB1)   2.985    1.185    1.185  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.830    1.030    1.030  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.780    0.980    0.980  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.780    0.980    0.980  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.595    0.795    0.795  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.595    0.795    0.795  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.485    0.685    0.685  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.485    0.685    0.685  
assign (resid  14 and name   HN)   (resid  14 and name  HB1)   2.410    0.610    0.610  
assign (resid  14 and name   HN)   (resid  14 and name  HB2)   2.410    0.610    0.610  
assign (resid  15 and name   HN)   (resid  15 and name   HB)   2.875    1.075    1.075  
assign (resid   6 and name   HN)   (resid   6 and name   HB)   2.845    1.045    1.045  
assign (resid   5 and name   HN)   (resid   5 and name  HB1)   2.380    0.580    0.580  
assign (resid   5 and name   HN)   (resid   5 and name  HB2)   2.380    0.580    0.580  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.425    0.625    0.625  
assign (resid   1 and name   HN)   (resid  18 and name   HA)   2.485    0.685    0.685  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.285    0.485    0.485  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.270    0.470    0.470  
assign (resid   3 and name   HA)   (resid  17 and name   HN)   2.735    0.935    0.935  
assign (resid   3 and name   HA)   (resid  16 and name   HA)   2.225    0.225    0.425   
assign (resid   3 and name  HB1)   (resid   4 and name   HN)   2.815    1.015    1.015  
assign (resid   4 and name   HN)   (resid  16 and name   HA)   2.690    0.890    0.890  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.100    0.300    0.300  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.350    0.550    0.550  
assign (resid   6 and name   HN)   (resid  13 and name   HN)   2.660    0.860    0.860  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.225    0.425    0.425  
assign (resid   6 and name   HB)   (resid   7 and name   HN)   2.720    0.920    0.920  
assign (resid   7 and name   HA)   (resid  13 and name   HN)   2.920    1.120    1.120  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.395    0.595    0.595  
assign (resid   8 and name   HN)   (resid  11 and name   HN)   2.660    0.860    0.860  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.225    0.425    0.425  
assign (resid   9 and name   HN)   (resid  10 and name   HN)   2.675    0.875    0.875  
assign (resid   8 and name   HN)   (resid  12 and name   HA)   2.860    1.060    1.060  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.395    0.595    0.595  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.610    0.810    0.810  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.180    0.380    0.380  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.100    0.300    0.300  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.100    0.300    0.300  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.380    0.580    0.580  
assign (resid   4 and name   HN)   (resid  15 and name   HN)   2.765    0.965    0.965  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.350    0.550    0.550  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.255    0.455    0.455  
assign (resid  16 and name  HB1)   (resid  17 and name   HN)   2.750    0.950    0.950  
assign (resid   2 and name   HN)   (resid  17 and name   HN)   2.470    0.670    0.670  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.240    0.440    0.440  
assign (resid   1 and name   HN)   (resid  18 and name   HN)   2.640    0.840    0.840  
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#)   3.950    2.150    2.150  
assign (resid  17 and name   HN)   (resid  17 and name  HD#)   4.090    2.290    2.290  
assign (resid  17 and name   HN)   (resid  17 and name  HG1)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  17 and name  HG2)   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  HG#)   3.500    1.700    1.700  
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#)   3.920    2.120    2.120  
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  HG1)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid   8 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#)   3.500    1.700    1.700  
assign (resid  18 and name   HA)   (resid  18 and name  HD#)   4.090    2.290    2.290  
assign (resid   9 and name   HA)   (resid   9 and name  HD#)   4.090    2.290    2.290  
assign (resid   2 and name   HN)   (resid   2 and name  HG*)   4.700    2.900    2.900  
assign (resid  11 and name   HN)   (resid  11 and name  HG*)   4.700    2.900    2.900  
assign (resid  12 and name   HN)   (resid  12 and name  HG#)   4.130    2.330    2.330  
assign (resid   7 and name   HN)   (resid   7 and name  HG#)   4.160    2.360    2.360  
assign (resid  14 and name   HN)   (resid  14 and name  HG#)   3.260    1.460    1.460  
assign (resid  15 and name   HN)   (resid  15 and name  HG*)   4.700    2.900    2.900  
assign (resid   6 and name   HN)   (resid   6 and name  HG*)   4.700    2.900    2.900  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   3.275    1.475    1.475  
assign (resid   2 and name  HG*)   (resid   3 and name   HN)   4.360    2.560    2.560  
assign (resid   5 and name  HG#)   (resid   6 and name   HN)   4.160    2.360    2.360  
assign (resid  14 and name  HG#)   (resid  16 and name  HB1)   4.160    2.360    2.360  
assign (resid   3 and name  HB1)   (resid   5 and name  HG#)   4.160    2.360    2.360  
assign (resid   6 and name  HG*)   (resid   7 and name   HN)   4.420    2.620    2.620  
assign (resid   7 and name  HG#)   (resid   8 and name   HN)   4.020    2.220    2.220  
assign (resid   7 and name  HG#)   (resid  10 and name   HN)   3.475    1.675    1.675  
assign (resid  11 and name  HG*)   (resid  12 and name   HN)   4.435    2.635    2.635  
assign (resid   7 and name   HN)   (resid  12 and name  HG#)   3.975    2.175    2.175  
assign (resid  13 and name   HN)   (resid  15 and name  HG*)   4.700    2.900    2.900  
assign (resid  14 and name  HG#)   (resid  15 and name   HN)   4.160    2.360    2.360  
assign (resid  15 and name  HG*)   (resid  16 and name   HN)   4.465    2.665    2.665  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.420    0.620    0.620  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.135    0.335    0.335  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.530    0.730    0.730  
assign (resid   8 and name  HB#)   (resid   8 and name  HG#)   1.965    0.165    0.165  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.145    0.345    0.345  
!
!Dihedral angles
assign (resid   18 and name C    ) (resid    1 and name N    ) 
       (resid    1 and name CA   ) (resid    1 and name C    )    1.0   50.0   50.0 2
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0 -124.2   39.2 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  132.8   24.6 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -118.3   44.5 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  140.8   35.6 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 -125.6   29.2 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  141.6   31.4 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -103.0   41.7 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  125.5   34.0 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -115.6   37.8 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  131.5   27.8 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -99.8   33.5 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  128.2   31.1 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0 -100.0   80.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  145.3   86.4 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  180.0   30.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0   50.0   50.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0 -100.0   80.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0 -100.0   52.4 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  127.7   37.9 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -101.8   57.6 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  126.0   42.0 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -124.8   54.2 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  139.8   28.9 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -132.1   42.4 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  140.9   40.4 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 -116.2   67.9 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  137.2   27.2 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  180.0   30.0 2
!
!Hbonds
assign (resid   2 and name   HN)   (resid  17 and name    O)   1.900    0.100    0.100  
assign (resid   2 and name    N)   (resid  17 and name    O)   2.400    0.600    0.600  
assign (resid   2 and name    O)   (resid  17 and name   HN)   1.900    0.100    0.100  
assign (resid   2 and name    O)   (resid  17 and name    N)   2.400    0.600    0.600  
assign (resid   4 and name   HN)   (resid  15 and name    O)   1.900    0.100    0.100  
assign (resid   4 and name    N)   (resid  15 and name    O)   2.400    0.600    0.600  
assign (resid   4 and name    O)   (resid  15 and name   HN)   1.900    0.100    0.100  
assign (resid   4 and name    O)   (resid  15 and name    N)   2.400    0.600    0.600  
assign (resid   6 and name   HN)   (resid  13 and name    O)   1.900    0.100    0.100  
assign (resid   6 and name    N)   (resid  13 and name    O)   2.400    0.600    0.600  
assign (resid   6 and name    O)   (resid  13 and name   HN)   1.900    0.100    0.100  
assign (resid   6 and name    O)   (resid  13 and name    N)   2.400    0.600    0.600  


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -11.896  -2.721   1.112
    2    HA2  GLY   1           2HA      GLY   1 -12.297  -4.379  -0.499
    3    HA3  GLY   1           1HA      GLY   1 -13.321  -3.250  -1.375
    4    H    VAL   2           H        VAL   2 -10.796  -1.372  -0.789
    5    HA   VAL   2           HA       VAL   2  -9.579  -2.046  -3.354
    6    HB   VAL   2           HB       VAL   2  -9.321   0.503  -1.722
    7   HG11  VAL   2          1HG1      VAL   2  -8.469  -0.109  -4.552
    8   HG12  VAL   2          2HG1      VAL   2  -7.404   0.144  -3.171
    9   HG13  VAL   2          3HG1      VAL   2  -8.389   1.474  -3.781
   10   HG21  VAL   2          3HG2      VAL   2 -11.033  -0.062  -4.148
   11   HG22  VAL   2          1HG2      VAL   2 -10.801   1.523  -3.407
   12   HG23  VAL   2          2HG2      VAL   2 -11.607   0.240  -2.508
   13    H    CYS   3           H        CYS   3  -7.827  -3.244  -3.182
   14    HA   CYS   3           HA       CYS   3  -6.103  -2.906  -0.858
   15    HB2  CYS   3           2HB      CYS   3  -6.146  -5.083  -2.955
   16    HB3  CYS   3           1HB      CYS   3  -5.005  -4.996  -1.618
   17    H    ARG   4           H        ARG   4  -4.751  -1.408  -1.062
   18    HA   ARG   4           HA       ARG   4  -3.450  -1.020  -3.644
   19    HB2  ARG   4           2HB      ARG   4  -4.592   0.956  -2.742
   20    HB3  ARG   4           1HB      ARG   4  -3.637   0.851  -1.275
   21    HG2  ARG   4           2HG      ARG   4  -2.797   2.603  -2.767
   22    HG3  ARG   4           1HG      ARG   4  -1.601   1.327  -2.540
   23    HD2  ARG   4           2HD      ARG   4  -1.697   2.015  -4.875
   24    HD3  ARG   4           1HD      ARG   4  -2.226   0.346  -4.692
   25    HE   ARG   4           HE       ARG   4  -4.328   2.310  -4.662
   26   HH11  ARG   4          1HH1      ARG   4  -2.441   0.094  -6.738
   27   HH12  ARG   4          2HH1      ARG   4  -3.571   0.154  -8.010
   28   HH21  ARG   4          1HH2      ARG   4  -5.852   2.338  -6.465
   29   HH22  ARG   4          2HH2      ARG   4  -5.499   1.413  -7.856
   30    H    ABA   5           H        ABA   5  -1.644  -2.128  -3.746
   31    HA   ABA   5           HA       ABA   5  -0.019  -2.465  -1.358
   32    HB3  ABA   5           1HB      ABA   5   0.236  -3.763  -4.083
   33    HB2  ABA   5           2HB      ABA   5  -0.575  -4.486  -2.698
   34    HG1  ABA   5           3HG      ABA   5   1.532  -4.497  -1.468
   35    HG3  ABA   5           1HG      ABA   5   2.347  -3.791  -2.863
   36    HG2  ABA   5           2HG      ABA   5   1.647  -5.406  -2.975
   37    H    VAL   6           H        VAL   6   1.128  -0.748  -1.059
   38    HA   VAL   6           HA       VAL   6   2.455   0.613  -3.282
   39    HB   VAL   6           HB       VAL   6   2.623   1.271  -0.353
   40   HG11  VAL   6          1HG1      VAL   6   4.275   2.376  -1.672
   41   HG12  VAL   6          2HG1      VAL   6   3.099   3.556  -1.092
   42   HG13  VAL   6          3HG1      VAL   6   3.040   3.003  -2.766
   43   HG21  VAL   6          3HG2      VAL   6   0.540   2.308  -2.274
   44   HG22  VAL   6          1HG2      VAL   6   0.797   2.918  -0.639
   45   HG23  VAL   6          2HG2      VAL   6   0.250   1.257  -0.888
   46    H    ABA   7           H        ABA   7   4.679   0.585  -3.388
   47    HA   ABA   7           HA       ABA   7   6.106  -0.974  -1.379
   48    HB3  ABA   7           1HB      ABA   7   6.502  -1.383  -4.355
   49    HB2  ABA   7           2HB      ABA   7   5.626  -2.491  -3.302
   50    HG1  ABA   7           3HG      ABA   7   7.883  -3.286  -3.732
   51    HG3  ABA   7           1HG      ABA   7   7.669  -2.893  -2.025
   52    HG2  ABA   7           2HG      ABA   7   8.544  -1.786  -3.083
   53    H    ARG   8           H        ARG   8   7.683   0.194  -0.632
   54    HA   ARG   8           HA       ARG   8   8.876   2.197  -2.425
   55    HB2  ARG   8           2HB      ARG   8   7.660   3.068  -0.397
   56    HB3  ARG   8           1HB      ARG   8   8.862   2.265   0.599
   57    HG2  ARG   8           2HG      ARG   8  10.623   3.625  -0.426
   58    HG3  ARG   8           1HG      ARG   8   9.400   4.440  -1.404
   59    HD2  ARG   8           2HD      ARG   8   9.588   4.462   1.602
   60    HD3  ARG   8           1HD      ARG   8   9.952   5.797   0.507
   61    HE   ARG   8           HE       ARG   8   7.287   4.734   0.280
   62   HH11  ARG   8          1HH1      ARG   8   9.320   7.260   1.711
   63   HH12  ARG   8          2HH1      ARG   8   7.993   8.225   2.168
   64   HH21  ARG   8          1HH2      ARG   8   5.508   6.024   0.980
   65   HH22  ARG   8          2HH2      ARG   8   5.800   7.521   1.762
   66    H    ARG   9           H        ARG   9  10.120   0.439  -3.210
   67    HA   ARG   9           HA       ARG   9  11.892  -0.911  -3.422
   68    HB2  ARG   9           2HB      ARG   9  12.990   1.307  -3.346
   69    HB3  ARG   9           1HB      ARG   9  13.223   1.123  -1.616
   70    HG2  ARG   9           2HG      ARG   9  14.707  -0.750  -1.976
   71    HG3  ARG   9           1HG      ARG   9  14.407  -0.690  -3.713
   72    HD2  ARG   9           2HD      ARG   9  16.526   0.372  -3.172
   73    HD3  ARG   9           1HD      ARG   9  15.380   1.562  -3.787
   74    HE   ARG   9           HE       ARG   9  15.640   1.218  -0.910
   75   HH11  ARG   9          1HH1      ARG   9  16.278   3.251  -3.748
   76   HH12  ARG   9          2HH1      ARG   9  16.583   4.644  -2.812
   77   HH21  ARG   9          1HH2      ARG   9  16.114   3.074   0.308
   78   HH22  ARG   9          2HH2      ARG   9  16.502   4.554  -0.452
   79    H    GLY  10           H        GLY  10  10.622  -2.462  -2.203
   80    HA2  GLY  10           2HA      GLY  10  11.108  -4.396  -0.899
   81    HA3  GLY  10           1HA      GLY  10  12.207  -3.424   0.068
   82    H    VAL  11           H        VAL  11  10.411  -1.258   0.510
   83    HA   VAL  11           HA       VAL  11   8.970  -2.320   2.746
   84    HB   VAL  11           HB       VAL  11   8.893   0.496   1.616
   85   HG11  VAL  11          1HG1      VAL  11   7.023   0.038   3.120
   86   HG12  VAL  11          2HG1      VAL  11   8.155   1.178   3.848
   87   HG13  VAL  11          3HG1      VAL  11   8.151  -0.503   4.369
   88   HG21  VAL  11          3HG2      VAL  11  11.169  -0.132   2.193
   89   HG22  VAL  11          1HG2      VAL  11  10.635  -0.650   3.790
   90   HG23  VAL  11          2HG2      VAL  11  10.552   1.055   3.342
   91    H    ABA  12           H        ABA  12   7.447  -3.648   1.950
   92    HA   ABA  12           HA       ABA  12   5.502  -2.736   0.016
   93    HB3  ABA  12           1HB      ABA  12   5.762  -5.360   1.511
   94    HB2  ABA  12           2HB      ABA  12   6.367  -5.039  -0.107
   95    HG1  ABA  12           3HG      ABA  12   4.093  -4.751  -0.923
   96    HG3  ABA  12           1HG      ABA  12   3.471  -5.044   0.702
   97    HG2  ABA  12           2HG      ABA  12   4.310  -6.330  -0.166
   98    H    ARG  13           H        ARG  13   3.576  -1.989   0.515
   99    HA   ARG  13           HA       ARG  13   2.529  -2.299   3.233
  100    HB2  ARG  13           2HB      ARG  13   3.614  -0.055   2.811
  101    HB3  ARG  13           1HB      ARG  13   2.425   0.214   1.553
  102    HG2  ARG  13           2HG      ARG  13   1.800   1.373   3.574
  103    HG3  ARG  13           1HG      ARG  13   0.639   0.092   3.235
  104    HD2  ARG  13           2HD      ARG  13   1.317   0.239   5.630
  105    HD3  ARG  13           1HD      ARG  13   1.628  -1.338   4.901
  106    HE   ARG  13           HE       ARG  13   3.837   0.499   4.803
  107   HH11  ARG  13          1HH1      ARG  13   2.245  -1.945   6.802
  108   HH12  ARG  13          2HH1      ARG  13   3.669  -2.415   7.610
  109   HH21  ARG  13          1HH2      ARG  13   5.810  -0.166   5.922
  110   HH22  ARG  13          2HH2      ARG  13   5.732  -1.414   7.080
  111    H    ABA  14           H        ABA  14   0.995  -3.796   2.613
  112    HA   ABA  14           HA       ABA  14  -0.693  -3.160   0.312
  113    HB3  ABA  14           1HB      ABA  14  -0.472  -5.724   1.906
  114    HB2  ABA  14           2HB      ABA  14   0.350  -5.419   0.383
  115    HG1  ABA  14           3HG      ABA  14  -2.628  -5.572   0.792
  116    HG3  ABA  14           1HG      ABA  14  -1.609  -6.794   0.037
  117    HG2  ABA  14           2HG      ABA  14  -1.826  -5.223  -0.736
  118    H    VAL  15           H        VAL  15  -2.127  -1.728   1.030
  119    HA   VAL  15           HA       VAL  15  -3.563  -2.428   3.465
  120    HB   VAL  15           HB       VAL  15  -4.441  -0.069   3.470
  121   HG11  VAL  15          1HG1      VAL  15  -2.576  -0.681   4.881
  122   HG12  VAL  15          2HG1      VAL  15  -2.343   0.953   4.258
  123   HG13  VAL  15          3HG1      VAL  15  -1.447  -0.396   3.560
  124   HG21  VAL  15          3HG2      VAL  15  -3.285   1.633   2.123
  125   HG22  VAL  15          1HG2      VAL  15  -4.133   0.477   1.097
  126   HG23  VAL  15          2HG2      VAL  15  -2.385   0.364   1.291
  127    H    CYS  16           H        CYS  16  -5.415  -3.369   3.299
  128    HA   CYS  16           HA       CYS  16  -7.005  -2.956   0.893
  129    HB2  CYS  16           2HB      CYS  16  -7.121  -5.103   3.022
  130    HB3  CYS  16           1HB      CYS  16  -8.309  -4.931   1.738
  131    H    ARG  17           H        ARG  17  -8.239  -1.323   1.059
  132    HA   ARG  17           HA       ARG  17  -9.756  -1.032   3.507
  133    HB2  ARG  17           2HB      ARG  17  -9.470   1.425   3.400
  134    HB3  ARG  17           1HB      ARG  17  -7.987   0.550   3.733
  135    HG2  ARG  17           2HG      ARG  17  -7.308   0.842   1.393
  136    HG3  ARG  17           1HG      ARG  17  -8.784   1.767   1.101
  137    HD2  ARG  17           2HD      ARG  17  -8.093   3.366   2.839
  138    HD3  ARG  17           1HD      ARG  17  -6.607   2.443   3.067
  139    HE   ARG  17           HE       ARG  17  -7.091   3.371   0.381
  140   HH11  ARG  17          1HH1      ARG  17  -5.444   3.980   3.466
  141   HH12  ARG  17          2HH1      ARG  17  -4.458   5.224   2.840
  142   HH21  ARG  17          1HH2      ARG  17  -5.664   5.072  -0.478
  143   HH22  ARG  17          2HH2      ARG  17  -4.547   5.804   0.579
  144    H    ARG  18           H        ARG  18 -11.727  -1.164   3.108
  145    HA   ARG  18           HA       ARG  18 -13.779  -0.921   2.286
  146    HB2  ARG  18           2HB      ARG  18 -12.893   1.514   2.161
  147    HB3  ARG  18           1HB      ARG  18 -12.780   1.227   0.438
  148    HG2  ARG  18           2HG      ARG  18 -15.177   0.776   0.342
  149    HG3  ARG  18           1HG      ARG  18 -15.293   1.045   2.084
  150    HD2  ARG  18           2HD      ARG  18 -14.507   3.032  -0.035
  151    HD3  ARG  18           1HD      ARG  18 -15.961   3.043   0.964
  152    HE   ARG  18           HE       ARG  18 -13.652   3.089   2.590
  153   HH11  ARG  18          1HH1      ARG  18 -15.721   5.181   0.638
  154   HH12  ARG  18          2HH1      ARG  18 -15.154   6.628   1.313
  155   HH21  ARG  18          1HH2      ARG  18 -12.816   5.095   3.520
  156   HH22  ARG  18          2HH2      ARG  18 -13.466   6.576   2.968
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -11.968  -2.492   1.673
    2    HA2  GLY   1           2HA      GLY   1 -12.022  -4.499   0.523
    3    HA3  GLY   1           1HA      GLY   1 -13.220  -3.817  -0.568
    4    H    VAL   2           H        VAL   2 -10.887  -1.594  -0.533
    5    HA   VAL   2           HA       VAL   2  -9.740  -2.612  -2.994
    6    HB   VAL   2           HB       VAL   2  -9.575   0.135  -1.751
    7   HG11  VAL   2          1HG1      VAL   2  -7.714  -0.321  -3.238
    8   HG12  VAL   2          2HG1      VAL   2  -8.799   0.871  -3.952
    9   HG13  VAL   2          3HG1      VAL   2  -8.829  -0.801  -4.518
   10   HG21  VAL   2          3HG2      VAL   2 -11.867  -0.427  -2.374
   11   HG22  VAL   2          1HG2      VAL   2 -11.328  -0.827  -4.003
   12   HG23  VAL   2          2HG2      VAL   2 -11.203   0.832  -3.414
   13    H    CYS   3           H        CYS   3  -7.889  -3.605  -2.784
   14    HA   CYS   3           HA       CYS   3  -6.099  -2.789  -0.637
   15    HB2  CYS   3           2HB      CYS   3  -6.149  -5.306  -2.311
   16    HB3  CYS   3           1HB      CYS   3  -4.894  -4.930  -1.130
   17    H    ARG   4           H        ARG   4  -4.443  -1.650  -1.086
   18    HA   ARG   4           HA       ARG   4  -3.590  -1.408  -3.886
   19    HB2  ARG   4           2HB      ARG   4  -3.303   0.542  -1.590
   20    HB3  ARG   4           1HB      ARG   4  -2.731   0.807  -3.225
   21    HG2  ARG   4           2HG      ARG   4  -5.639   0.414  -2.532
   22    HG3  ARG   4           1HG      ARG   4  -4.863   1.988  -2.594
   23    HD2  ARG   4           2HD      ARG   4  -6.019   1.599  -4.668
   24    HD3  ARG   4           1HD      ARG   4  -4.290   1.570  -4.969
   25    HE   ARG   4           HE       ARG   4  -5.449  -1.042  -4.562
   26   HH11  ARG   4          1HH1      ARG   4  -4.758   1.488  -6.928
   27   HH12  ARG   4          2HH1      ARG   4  -4.807   0.462  -8.279
   28   HH21  ARG   4          1HH2      ARG   4  -5.568  -2.492  -6.456
   29   HH22  ARG   4          2HH2      ARG   4  -5.286  -1.853  -8.003
   30    H    ABA   5           H        ABA   5  -1.888  -2.674  -4.108
   31    HA   ABA   5           HA       ABA   5  -0.023  -3.051  -1.904
   32    HB3  ABA   5           1HB      ABA   5  -0.130  -4.340  -4.645
   33    HB2  ABA   5           2HB      ABA   5  -0.810  -5.026  -3.175
   34    HG1  ABA   5           3HG      ABA   5   1.418  -5.172  -2.200
   35    HG3  ABA   5           1HG      ABA   5   2.106  -4.509  -3.679
   36    HG2  ABA   5           2HG      ABA   5   1.299  -6.077  -3.709
   37    H    VAL   6           H        VAL   6   1.252  -1.329  -1.742
   38    HA   VAL   6           HA       VAL   6   2.568  -0.303  -4.171
   39    HB   VAL   6           HB       VAL   6   2.337   1.050  -1.466
   40   HG11  VAL   6          1HG1      VAL   6   2.935   3.104  -2.645
   41   HG12  VAL   6          2HG1      VAL   6   3.105   2.184  -4.143
   42   HG13  VAL   6          3HG1      VAL   6   4.187   1.868  -2.786
   43   HG21  VAL   6          3HG2      VAL   6   0.088   0.796  -2.373
   44   HG22  VAL   6          1HG2      VAL   6   0.606   1.517  -3.895
   45   HG23  VAL   6          2HG2      VAL   6   0.583   2.490  -2.430
   46    H    ABA   7           H        ABA   7   4.873   0.100  -3.944
   47    HA   ABA   7           HA       ABA   7   6.119  -1.426  -1.761
   48    HB3  ABA   7           1HB      ABA   7   7.042  -1.247  -4.643
   49    HB2  ABA   7           2HB      ABA   7   6.299  -2.657  -3.897
   50    HG1  ABA   7           3HG      ABA   7   8.711  -2.916  -4.084
   51    HG3  ABA   7           1HG      ABA   7   8.206  -2.880  -2.393
   52    HG2  ABA   7           2HG      ABA   7   8.946  -1.456  -3.126
   53    H    ARG   8           H        ARG   8   7.247  -0.125  -0.503
   54    HA   ARG   8           HA       ARG   8   8.595   2.178  -1.733
   55    HB2  ARG   8           2HB      ARG   8   6.592   2.900  -0.424
   56    HB3  ARG   8           1HB      ARG   8   7.283   2.150   1.005
   57    HG2  ARG   8           2HG      ARG   8   7.708   4.502   1.121
   58    HG3  ARG   8           1HG      ARG   8   9.238   3.678   0.798
   59    HD2  ARG   8           2HD      ARG   8   8.887   4.167  -1.636
   60    HD3  ARG   8           1HD      ARG   8   7.499   5.148  -1.179
   61    HE   ARG   8           HE       ARG   8   9.937   5.847   0.155
   62   HH11  ARG   8          1HH1      ARG   8   7.868   6.512  -2.649
   63   HH12  ARG   8          2HH1      ARG   8   8.683   7.946  -3.059
   64   HH21  ARG   8          1HH2      ARG   8  11.028   7.801  -0.437
   65   HH22  ARG   8          2HH2      ARG   8  10.509   8.701  -1.788
   66    H    ARG   9           H        ARG   9  10.712   1.885  -1.571
   67    HA   ARG   9           HA       ARG   9  12.776   1.445  -0.815
   68    HB2  ARG   9           2HB      ARG   9  12.021   2.773   1.212
   69    HB3  ARG   9           1HB      ARG   9  11.522   1.269   1.953
   70    HG2  ARG   9           2HG      ARG   9  13.640   2.024   2.869
   71    HG3  ARG   9           1HG      ARG   9  13.842   0.508   2.002
   72    HD2  ARG   9           2HD      ARG   9  14.706   1.736   0.057
   73    HD3  ARG   9           1HD      ARG   9  14.498   3.253   0.940
   74    HE   ARG   9           HE       ARG   9  16.063   1.589   2.498
   75   HH11  ARG   9          1HH1      ARG   9  16.340   3.232  -0.633
   76   HH12  ARG   9          2HH1      ARG   9  18.035   3.335  -0.576
   77   HH21  ARG   9          1HH2      ARG   9  18.374   1.770   2.579
   78   HH22  ARG   9          2HH2      ARG   9  19.222   2.481   1.274
   79    H    GLY  10           H        GLY  10  10.952  -0.612  -1.642
   80    HA2  GLY  10           2HA      GLY  10  11.200  -2.882  -2.017
   81    HA3  GLY  10           1HA      GLY  10  12.474  -2.908  -0.801
   82    H    VAL  11           H        VAL  11   9.898  -1.373   0.554
   83    HA   VAL  11           HA       VAL  11   9.052  -3.809   1.916
   84    HB   VAL  11           HB       VAL  11   8.460  -0.914   2.597
   85   HG11  VAL  11          1HG1      VAL  11   6.837  -2.469   3.524
   86   HG12  VAL  11          2HG1      VAL  11   7.833  -1.771   4.801
   87   HG13  VAL  11          3HG1      VAL  11   8.140  -3.417   4.245
   88   HG21  VAL  11          3HG2      VAL  11  10.855  -1.311   2.744
   89   HG22  VAL  11          1HG2      VAL  11  10.576  -2.733   3.747
   90   HG23  VAL  11          2HG2      VAL  11  10.168  -1.131   4.359
   91    H    ABA  12           H        ABA  12   7.176  -4.679   1.376
   92    HA   ABA  12           HA       ABA  12   5.478  -3.320  -0.507
   93    HB3  ABA  12           1HB      ABA  12   5.303  -6.091   0.701
   94    HB2  ABA  12           2HB      ABA  12   6.029  -5.691  -0.850
   95    HG1  ABA  12           3HG      ABA  12   3.130  -5.373  -0.129
   96    HG3  ABA  12           1HG      ABA  12   3.815  -6.638  -1.146
   97    HG2  ABA  12           2HG      ABA  12   3.856  -4.960  -1.681
   98    H    ARG  13           H        ARG  13   3.905  -2.113   0.133
   99    HA   ARG  13           HA       ARG  13   2.692  -2.556   2.757
  100    HB2  ARG  13           2HB      ARG  13   3.914  -0.429   2.610
  101    HB3  ARG  13           1HB      ARG  13   3.009   0.006   1.170
  102    HG2  ARG  13           2HG      ARG  13   0.957   0.118   2.455
  103    HG3  ARG  13           1HG      ARG  13   1.813  -0.400   3.907
  104    HD2  ARG  13           2HD      ARG  13   2.352   2.129   2.346
  105    HD3  ARG  13           1HD      ARG  13   1.464   2.033   3.864
  106    HE   ARG  13           HE       ARG  13   3.872   0.863   4.381
  107   HH11  ARG  13          1HH1      ARG  13   2.830   4.055   3.262
  108   HH12  ARG  13          2HH1      ARG  13   4.143   4.891   3.916
  109   HH21  ARG  13          1HH2      ARG  13   5.734   2.048   5.324
  110   HH22  ARG  13          2HH2      ARG  13   5.807   3.727   5.118
  111    H    ABA  14           H        ABA  14   0.959  -3.751   2.287
  112    HA   ABA  14           HA       ABA  14  -0.712  -2.988   0.023
  113    HB3  ABA  14           1HB      ABA  14  -0.859  -5.441   1.802
  114    HB2  ABA  14           2HB      ABA  14  -0.055  -5.382   0.237
  115    HG1  ABA  14           3HG      ABA  14  -2.233  -6.432   0.062
  116    HG3  ABA  14           1HG      ABA  14  -2.185  -4.929  -0.852
  117    HG2  ABA  14           2HG      ABA  14  -3.004  -4.979   0.704
  118    H    VAL  15           H        VAL  15  -2.015  -1.426   0.575
  119    HA   VAL  15           HA       VAL  15  -3.197  -1.362   3.256
  120    HB   VAL  15           HB       VAL  15  -3.343   0.739   1.072
  121   HG11  VAL  15          1HG1      VAL  15  -5.195   0.914   2.622
  122   HG12  VAL  15          2HG1      VAL  15  -4.077   2.254   2.873
  123   HG13  VAL  15          3HG1      VAL  15  -4.088   0.891   3.993
  124   HG21  VAL  15          3HG2      VAL  15  -1.051   0.461   1.814
  125   HG22  VAL  15          1HG2      VAL  15  -1.550   0.619   3.496
  126   HG23  VAL  15          2HG2      VAL  15  -1.697   1.995   2.409
  127    H    CYS  16           H        CYS  16  -5.107  -2.322   3.468
  128    HA   CYS  16           HA       CYS  16  -6.886  -2.414   1.148
  129    HB2  CYS  16           2HB      CYS  16  -6.821  -4.166   3.608
  130    HB3  CYS  16           1HB      CYS  16  -8.029  -4.279   2.330
  131    H    ARG  17           H        ARG  17  -8.297  -0.918   1.118
  132    HA   ARG  17           HA       ARG  17  -9.723  -0.174   3.572
  133    HB2  ARG  17           2HB      ARG  17  -7.977   1.506   3.154
  134    HB3  ARG  17           1HB      ARG  17  -8.552   1.697   1.506
  135    HG2  ARG  17           2HG      ARG  17 -10.714   2.504   2.412
  136    HG3  ARG  17           1HG      ARG  17 -10.017   2.430   4.030
  137    HD2  ARG  17           2HD      ARG  17  -9.004   4.082   1.727
  138    HD3  ARG  17           1HD      ARG  17  -9.893   4.683   3.125
  139    HE   ARG  17           HE       ARG  17  -7.680   3.382   4.122
  140   HH11  ARG  17          1HH1      ARG  17  -8.298   6.185   2.051
  141   HH12  ARG  17          2HH1      ARG  17  -6.872   6.997   2.507
  142   HH21  ARG  17          1HH2      ARG  17  -5.715   4.522   4.726
  143   HH22  ARG  17          2HH2      ARG  17  -5.388   6.046   4.028
  144    H    ARG  18           H        ARG  18 -11.830  -0.468   3.175
  145    HA   ARG  18           HA       ARG  18 -13.868  -0.514   2.187
  146    HB2  ARG  18           2HB      ARG  18 -13.364   1.865   1.649
  147    HB3  ARG  18           1HB      ARG  18 -12.572   1.364   0.170
  148    HG2  ARG  18           2HG      ARG  18 -14.687   0.650  -0.763
  149    HG3  ARG  18           1HG      ARG  18 -15.506   1.001   0.760
  150    HD2  ARG  18           2HD      ARG  18 -15.834   2.779  -0.906
  151    HD3  ARG  18           1HD      ARG  18 -14.995   3.351   0.530
  152    HE   ARG  18           HE       ARG  18 -13.412   2.569  -1.791
  153   HH11  ARG  18          1HH1      ARG  18 -14.756   5.176   0.195
  154   HH12  ARG  18          2HH1      ARG  18 -13.697   6.363  -0.387
  155   HH21  ARG  18          1HH2      ARG  18 -11.948   4.266  -2.621
  156   HH22  ARG  18          2HH2      ARG  18 -12.079   5.848  -2.003
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -11.786  -2.293   1.253
    2    HA2  GLY   1           2HA      GLY   1 -12.070  -4.332   0.141
    3    HA3  GLY   1           1HA      GLY   1 -13.105  -3.520  -1.022
    4    H    VAL   2           H        VAL   2 -10.488  -1.613  -0.801
    5    HA   VAL   2           HA       VAL   2  -9.296  -2.874  -3.158
    6    HB   VAL   2           HB       VAL   2  -9.077   0.013  -2.275
    7   HG11  VAL   2          1HG1      VAL   2  -7.218  -0.708  -3.670
    8   HG12  VAL   2          2HG1      VAL   2  -8.250   0.425  -4.545
    9   HG13  VAL   2          3HG1      VAL   2  -8.345  -1.300  -4.891
   10   HG21  VAL   2          3HG2      VAL   2 -11.388  -0.491  -2.848
   11   HG22  VAL   2          1HG2      VAL   2 -10.874  -1.185  -4.385
   12   HG23  VAL   2          2HG2      VAL   2 -10.660   0.539  -4.081
   13    H    CYS   3           H        CYS   3  -7.618  -4.051  -2.528
   14    HA   CYS   3           HA       CYS   3  -5.816  -3.023  -0.490
   15    HB2  CYS   3           2HB      CYS   3  -5.933  -5.708  -1.876
   16    HB3  CYS   3           1HB      CYS   3  -4.679  -5.251  -0.730
   17    H    ARG   4           H        ARG   4  -4.430  -1.636  -1.165
   18    HA   ARG   4           HA       ARG   4  -3.259  -2.006  -3.804
   19    HB2  ARG   4           2HB      ARG   4  -4.340   0.154  -3.445
   20    HB3  ARG   4           1HB      ARG   4  -3.366   0.422  -2.011
   21    HG2  ARG   4           2HG      ARG   4  -2.422   1.766  -3.690
   22    HG3  ARG   4           1HG      ARG   4  -1.348   0.388  -3.521
   23    HD2  ARG   4           2HD      ARG   4  -3.459   0.665  -5.670
   24    HD3  ARG   4           1HD      ARG   4  -1.770   1.103  -5.866
   25    HE   ARG   4           HE       ARG   4  -2.389  -1.666  -5.152
   26   HH11  ARG   4          1HH1      ARG   4  -1.307   0.635  -7.622
   27   HH12  ARG   4          2HH1      ARG   4  -0.848  -0.570  -8.731
   28   HH21  ARG   4          1HH2      ARG   4  -1.702  -3.321  -6.652
   29   HH22  ARG   4          2HH2      ARG   4  -1.040  -2.875  -8.144
   30    H    ABA   5           H        ABA   5  -1.423  -3.160  -3.641
   31    HA   ABA   5           HA       ABA   5   0.275  -2.991  -1.338
   32    HB3  ABA   5           1HB      ABA   5   0.648  -4.405  -3.989
   33    HB2  ABA   5           2HB      ABA   5  -0.046  -5.131  -2.543
   34    HG1  ABA   5           3HG      ABA   5   2.269  -5.813  -2.845
   35    HG3  ABA   5           1HG      ABA   5   2.074  -4.856  -1.374
   36    HG2  ABA   5           2HG      ABA   5   2.775  -4.123  -2.816
   37    H    VAL   6           H        VAL   6   1.190  -1.078  -1.141
   38    HA   VAL   6           HA       VAL   6   2.392   0.213  -3.458
   39    HB   VAL   6           HB       VAL   6   2.463   1.130  -0.597
   40   HG11  VAL   6          1HG1      VAL   6   3.999   2.289  -2.034
   41   HG12  VAL   6          2HG1      VAL   6   2.710   3.384  -1.538
   42   HG13  VAL   6          3HG1      VAL   6   2.700   2.689  -3.159
   43   HG21  VAL   6          3HG2      VAL   6   0.112   0.806  -1.145
   44   HG22  VAL   6          1HG2      VAL   6   0.299   1.779  -2.604
   45   HG23  VAL   6          2HG2      VAL   6   0.468   2.526  -1.012
   46    H    ABA   7           H        ABA   7   4.604   0.433  -3.584
   47    HA   ABA   7           HA       ABA   7   6.145  -1.376  -1.970
   48    HB3  ABA   7           1HB      ABA   7   7.882  -0.848  -3.636
   49    HB2  ABA   7           2HB      ABA   7   6.762   0.235  -4.447
   50    HG1  ABA   7           3HG      ABA   7   6.886  -1.905  -5.596
   51    HG3  ABA   7           1HG      ABA   7   5.277  -1.640  -4.927
   52    HG2  ABA   7           2HG      ABA   7   6.400  -2.736  -4.120
   53    H    ARG   8           H        ARG   8   6.827  -0.511  -0.126
   54    HA   ARG   8           HA       ARG   8   7.456   2.346   0.034
   55    HB2  ARG   8           2HB      ARG   8   6.142   0.745   1.801
   56    HB3  ARG   8           1HB      ARG   8   7.784   0.501   2.369
   57    HG2  ARG   8           2HG      ARG   8   6.389   3.172   2.152
   58    HG3  ARG   8           1HG      ARG   8   6.590   2.245   3.628
   59    HD2  ARG   8           2HD      ARG   8   8.867   3.291   1.957
   60    HD3  ARG   8           1HD      ARG   8   8.188   4.149   3.342
   61    HE   ARG   8           HE       ARG   8   9.181   1.447   3.766
   62   HH11  ARG   8          1HH1      ARG   8   9.775   4.927   4.124
   63   HH12  ARG   8          2HH1      ARG   8  11.019   4.730   5.267
   64   HH21  ARG   8          1HH2      ARG   8  10.952   1.212   5.288
   65   HH22  ARG   8          2HH2      ARG   8  11.707   2.589   5.940
   66    H    ARG   9           H        ARG   9   9.188   1.985  -1.422
   67    HA   ARG   9           HA       ARG   9  11.257   1.604  -2.123
   68    HB2  ARG   9           2HB      ARG   9  11.739   3.016  -0.066
   69    HB3  ARG   9           1HB      ARG   9  12.072   1.517   0.796
   70    HG2  ARG   9           2HG      ARG   9  13.837   1.000  -0.838
   71    HG3  ARG   9           1HG      ARG   9  13.530   2.545  -1.626
   72    HD2  ARG   9           2HD      ARG   9  14.115   3.696   0.462
   73    HD3  ARG   9           1HD      ARG   9  14.445   2.128   1.203
   74    HE   ARG   9           HE       ARG   9  15.875   2.704  -1.231
   75   HH11  ARG   9          1HH1      ARG   9  15.980   2.666   2.298
   76   HH12  ARG   9          2HH1      ARG   9  17.676   2.728   2.404
   77   HH21  ARG   9          1HH2      ARG   9  18.154   2.826  -1.115
   78   HH22  ARG   9          2HH2      ARG   9  18.976   2.832   0.391
   79    H    GLY  10           H        GLY  10   9.905  -0.506  -2.397
   80    HA2  GLY  10           2HA      GLY  10  10.556  -2.688  -3.061
   81    HA3  GLY  10           1HA      GLY  10  11.795  -2.663  -1.817
   82    H    VAL  11           H        VAL  11  10.072  -1.857   0.309
   83    HA   VAL  11           HA       VAL  11   9.115  -4.463   1.033
   84    HB   VAL  11           HB       VAL  11   9.044  -1.819   2.537
   85   HG11  VAL  11          1HG1      VAL  11   8.468  -3.094   4.540
   86   HG12  VAL  11          2HG1      VAL  11   8.431  -4.582   3.606
   87   HG13  VAL  11          3HG1      VAL  11   7.225  -3.327   3.307
   88   HG21  VAL  11          3HG2      VAL  11  10.790  -4.257   2.832
   89   HG22  VAL  11          1HG2      VAL  11  10.835  -2.832   3.868
   90   HG23  VAL  11          2HG2      VAL  11  11.275  -2.697   2.165
   91    H    ABA  12           H        ABA  12   7.116  -5.180   1.082
   92    HA   ABA  12           HA       ABA  12   5.131  -3.806  -0.426
   93    HB3  ABA  12           1HB      ABA  12   3.710  -5.776   0.069
   94    HB2  ABA  12           2HB      ABA  12   4.946  -6.366   1.173
   95    HG1  ABA  12           3HG      ABA  12   5.052  -7.513  -0.965
   96    HG3  ABA  12           1HG      ABA  12   6.518  -6.578  -0.667
   97    HG2  ABA  12           2HG      ABA  12   5.299  -5.970  -1.785
   98    H    ARG  13           H        ARG  13   3.849  -2.313   0.318
   99    HA   ARG  13           HA       ARG  13   2.926  -2.415   3.103
  100    HB2  ARG  13           2HB      ARG  13   4.403  -0.453   2.457
  101    HB3  ARG  13           1HB      ARG  13   3.188   0.005   1.278
  102    HG2  ARG  13           2HG      ARG  13   2.950   1.391   3.217
  103    HG3  ARG  13           1HG      ARG  13   1.568   0.294   3.154
  104    HD2  ARG  13           2HD      ARG  13   2.579  -1.134   4.816
  105    HD3  ARG  13           1HD      ARG  13   4.043  -0.151   4.823
  106    HE   ARG  13           HE       ARG  13   1.622   1.266   5.476
  107   HH11  ARG  13          1HH1      ARG  13   4.353  -0.574   6.797
  108   HH12  ARG  13          2HH1      ARG  13   4.189   0.060   8.364
  109   HH21  ARG  13          1HH2      ARG  13   1.435   2.153   7.672
  110   HH22  ARG  13          2HH2      ARG  13   2.534   1.626   8.875
  111    H    ABA  14           H        ABA  14   1.157  -3.718   2.532
  112    HA   ABA  14           HA       ABA  14  -0.546  -2.882   0.334
  113    HB3  ABA  14           1HB      ABA  14  -0.775  -5.268   2.162
  114    HB2  ABA  14           2HB      ABA  14   0.015  -5.283   0.590
  115    HG1  ABA  14           3HG      ABA  14  -2.108  -4.764  -0.489
  116    HG3  ABA  14           1HG      ABA  14  -2.901  -4.735   1.087
  117    HG2  ABA  14           2HG      ABA  14  -2.209  -6.238   0.477
  118    H    VAL  15           H        VAL  15  -1.801  -1.310   0.739
  119    HA   VAL  15           HA       VAL  15  -3.104  -1.160   3.319
  120    HB   VAL  15           HB       VAL  15  -3.862   1.121   2.593
  121   HG11  VAL  15          1HG1      VAL  15  -0.891   0.655   2.398
  122   HG12  VAL  15          2HG1      VAL  15  -1.810   0.820   3.886
  123   HG13  VAL  15          3HG1      VAL  15  -1.670   2.191   2.783
  124   HG21  VAL  15          3HG2      VAL  15  -2.100   0.593   0.190
  125   HG22  VAL  15          1HG2      VAL  15  -2.814   2.153   0.608
  126   HG23  VAL  15          2HG2      VAL  15  -3.852   0.797   0.168
  127    H    CYS  16           H        CYS  16  -4.965  -2.092   3.558
  128    HA   CYS  16           HA       CYS  16  -6.674  -2.464   1.222
  129    HB2  CYS  16           2HB      CYS  16  -6.599  -3.915   3.876
  130    HB3  CYS  16           1HB      CYS  16  -7.822  -4.189   2.641
  131    H    ARG  17           H        ARG  17  -8.076  -0.949   1.014
  132    HA   ARG  17           HA       ARG  17  -9.660  -0.181   3.316
  133    HB2  ARG  17           2HB      ARG  17  -7.899   1.496   3.238
  134    HB3  ARG  17           1HB      ARG  17  -8.188   1.777   1.531
  135    HG2  ARG  17           2HG      ARG  17 -10.383   2.697   2.045
  136    HG3  ARG  17           1HG      ARG  17 -10.132   2.361   3.760
  137    HD2  ARG  17           2HD      ARG  17  -9.681   4.703   3.292
  138    HD3  ARG  17           1HD      ARG  17  -8.202   3.873   3.759
  139    HE   ARG  17           HE       ARG  17  -8.692   4.075   0.920
  140   HH11  ARG  17          1HH1      ARG  17  -7.031   5.451   3.747
  141   HH12  ARG  17          2HH1      ARG  17  -5.947   6.396   2.841
  142   HH21  ARG  17          1HH2      ARG  17  -7.177   5.415  -0.329
  143   HH22  ARG  17          2HH2      ARG  17  -6.043   6.382   0.482
  144    H    ARG  18           H        ARG  18 -11.723  -0.158   2.795
  145    HA   ARG  18           HA       ARG  18 -13.685  -0.151   1.664
  146    HB2  ARG  18           2HB      ARG  18 -12.772   2.142   0.984
  147    HB3  ARG  18           1HB      ARG  18 -12.244   1.395  -0.509
  148    HG2  ARG  18           2HG      ARG  18 -14.597   0.828  -1.018
  149    HG3  ARG  18           1HG      ARG  18 -15.089   1.692   0.441
  150    HD2  ARG  18           2HD      ARG  18 -14.007   3.728  -0.456
  151    HD3  ARG  18           1HD      ARG  18 -13.637   2.835  -1.931
  152    HE   ARG  18           HE       ARG  18 -16.411   3.039  -1.070
  153   HH11  ARG  18          1HH1      ARG  18 -13.924   3.916  -3.443
  154   HH12  ARG  18          2HH1      ARG  18 -15.036   4.609  -4.539
  155   HH21  ARG  18          1HH2      ARG  18 -17.900   3.999  -2.571
  156   HH22  ARG  18          2HH2      ARG  18 -17.325   4.650  -4.040
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -11.577  -2.624   1.982
    2    HA2  GLY   1           2HA      GLY   1 -11.705  -4.684   0.871
    3    HA3  GLY   1           1HA      GLY   1 -12.986  -4.037  -0.144
    4    H    VAL   2           H        VAL   2 -11.162  -1.595  -0.593
    5    HA   VAL   2           HA       VAL   2  -9.907  -2.760  -2.926
    6    HB   VAL   2           HB       VAL   2 -10.154   0.142  -2.049
    7   HG11  VAL   2          1HG1      VAL   2  -9.375   0.730  -4.291
    8   HG12  VAL   2          2HG1      VAL   2  -9.145  -0.976  -4.664
    9   HG13  VAL   2          3HG1      VAL   2  -8.151  -0.202  -3.430
   10   HG21  VAL   2          3HG2      VAL   2 -12.266  -0.894  -2.680
   11   HG22  VAL   2          1HG2      VAL   2 -11.566  -1.409  -4.213
   12   HG23  VAL   2          2HG2      VAL   2 -11.772   0.310  -3.872
   13    H    CYS   3           H        CYS   3  -7.962  -3.526  -2.810
   14    HA   CYS   3           HA       CYS   3  -6.112  -2.459  -0.796
   15    HB2  CYS   3           2HB      CYS   3  -6.265  -5.216  -2.001
   16    HB3  CYS   3           1HB      CYS   3  -5.047  -4.683  -0.855
   17    H    ARG   4           H        ARG   4  -4.494  -1.348  -1.556
   18    HA   ARG   4           HA       ARG   4  -3.465  -1.902  -4.256
   19    HB2  ARG   4           2HB      ARG   4  -4.146   0.430  -4.070
   20    HB3  ARG   4           1HB      ARG   4  -3.285   0.606  -2.547
   21    HG2  ARG   4           2HG      ARG   4  -1.151   0.204  -3.763
   22    HG3  ARG   4           1HG      ARG   4  -2.065   0.165  -5.263
   23    HD2  ARG   4           2HD      ARG   4  -2.128   2.532  -3.420
   24    HD3  ARG   4           1HD      ARG   4  -0.875   2.329  -4.641
   25    HE   ARG   4           HE       ARG   4  -3.700   2.320  -5.423
   26   HH11  ARG   4          1HH1      ARG   4  -0.468   3.858  -5.546
   27   HH12  ARG   4          2HH1      ARG   4  -0.910   4.919  -6.791
   28   HH21  ARG   4          1HH2      ARG   4  -4.238   3.849  -7.133
   29   HH22  ARG   4          2HH2      ARG   4  -3.044   4.924  -7.719
   30    H    ABA   5           H        ABA   5  -1.394  -2.613  -4.446
   31    HA   ABA   5           HA       ABA   5   0.073  -3.080  -1.975
   32    HB3  ABA   5           1HB      ABA   5   0.566  -4.101  -4.783
   33    HB2  ABA   5           2HB      ABA   5  -0.254  -4.994  -3.506
   34    HG1  ABA   5           3HG      ABA   5   2.617  -4.106  -3.467
   35    HG3  ABA   5           1HG      ABA   5   2.039  -5.747  -3.747
   36    HG2  ABA   5           2HG      ABA   5   1.795  -4.984  -2.178
   37    H    VAL   6           H        VAL   6   1.328  -1.469  -1.424
   38    HA   VAL   6           HA       VAL   6   2.603   0.090  -3.529
   39    HB   VAL   6           HB       VAL   6   3.060   1.814  -1.774
   40   HG11  VAL   6          1HG1      VAL   6   0.779   2.654  -1.598
   41   HG12  VAL   6          2HG1      VAL   6   0.158   1.070  -2.062
   42   HG13  VAL   6          3HG1      VAL   6   1.105   2.016  -3.212
   43   HG21  VAL   6          3HG2      VAL   6   3.023   0.382   0.204
   44   HG22  VAL   6          1HG2      VAL   6   1.301   0.082  -0.031
   45   HG23  VAL   6          2HG2      VAL   6   1.866   1.703   0.372
   46    H    ABA   7           H        ABA   7   4.697   0.052  -3.797
   47    HA   ABA   7           HA       ABA   7   6.292  -1.515  -1.918
   48    HB3  ABA   7           1HB      ABA   7   6.942  -0.595  -4.739
   49    HB2  ABA   7           2HB      ABA   7   6.377  -2.202  -4.305
   50    HG1  ABA   7           3HG      ABA   7   8.977  -0.967  -3.430
   51    HG3  ABA   7           1HG      ABA   7   8.773  -2.187  -4.687
   52    HG2  ABA   7           2HG      ABA   7   8.408  -2.580  -3.005
   53    H    ARG   8           H        ARG   8   6.900  -0.181  -0.373
   54    HA   ARG   8           HA       ARG   8   7.771   2.505  -1.082
   55    HB2  ARG   8           2HB      ARG   8   7.042   1.306   1.597
   56    HB3  ARG   8           1HB      ARG   8   7.613   2.957   1.367
   57    HG2  ARG   8           2HG      ARG   8   5.687   3.469  -0.006
   58    HG3  ARG   8           1HG      ARG   8   5.141   1.798   0.099
   59    HD2  ARG   8           2HD      ARG   8   4.823   2.042   2.498
   60    HD3  ARG   8           1HD      ARG   8   5.416   3.706   2.423
   61    HE   ARG   8           HE       ARG   8   3.426   3.788   0.672
   62   HH11  ARG   8          1HH1      ARG   8   3.404   2.325   3.921
   63   HH12  ARG   8          2HH1      ARG   8   1.780   2.728   4.192
   64   HH21  ARG   8          1HH2      ARG   8   1.192   4.247   1.080
   65   HH22  ARG   8          2HH2      ARG   8   0.482   3.804   2.568
   66    H    ARG   9           H        ARG   9   9.586   1.521  -2.037
   67    HA   ARG   9           HA       ARG   9  11.752   0.947  -2.226
   68    HB2  ARG   9           2HB      ARG   9  11.885   3.194  -1.190
   69    HB3  ARG   9           1HB      ARG   9  11.996   2.430   0.388
   70    HG2  ARG   9           2HG      ARG   9  14.119   1.414  -0.239
   71    HG3  ARG   9           1HG      ARG   9  13.992   2.143  -1.843
   72    HD2  ARG   9           2HD      ARG   9  13.960   4.363  -0.828
   73    HD3  ARG   9           1HD      ARG   9  14.086   3.616   0.761
   74    HE   ARG   9           HE       ARG   9  16.227   2.781  -0.849
   75   HH11  ARG   9          1HH1      ARG   9  15.034   5.637   0.851
   76   HH12  ARG   9          2HH1      ARG   9  16.564   6.299   1.133
   77   HH21  ARG   9          1HH2      ARG   9  18.337   3.686  -0.492
   78   HH22  ARG   9          2HH2      ARG   9  18.510   5.168   0.328
   79    H    GLY  10           H        GLY  10  10.896  -1.264  -1.795
   80    HA2  GLY  10           2HA      GLY  10  11.821  -3.319  -1.119
   81    HA3  GLY  10           1HA      GLY  10  12.591  -2.492   0.232
   82    H    VAL  11           H        VAL  11  10.048  -1.142   0.902
   83    HA   VAL  11           HA       VAL  11   8.941  -3.310   2.471
   84    HB   VAL  11           HB       VAL  11   8.237  -0.355   2.516
   85   HG11  VAL  11          1HG1      VAL  11   7.227  -0.825   4.705
   86   HG12  VAL  11          2HG1      VAL  11   7.602  -2.537   4.509
   87   HG13  VAL  11          3HG1      VAL  11   6.450  -1.762   3.424
   88   HG21  VAL  11          3HG2      VAL  11   9.617  -0.236   4.548
   89   HG22  VAL  11          1HG2      VAL  11  10.568  -0.694   3.135
   90   HG23  VAL  11          2HG2      VAL  11  10.090  -1.917   4.317
   91    H    ABA  12           H        ABA  12   7.664  -4.514   1.191
   92    HA   ABA  12           HA       ABA  12   5.771  -3.283  -0.624
   93    HB3  ABA  12           1HB      ABA  12   6.260  -6.195   0.084
   94    HB2  ABA  12           2HB      ABA  12   7.006  -5.354  -1.267
   95    HG1  ABA  12           3HG      ABA  12   4.825  -5.047  -2.294
   96    HG3  ABA  12           1HG      ABA  12   4.067  -5.884  -0.939
   97    HG2  ABA  12           2HG      ABA  12   5.169  -6.753  -2.004
   98    H    ARG  13           H        ARG  13   3.854  -2.634   0.149
   99    HA   ARG  13           HA       ARG  13   2.724  -4.129   2.400
  100    HB2  ARG  13           2HB      ARG  13   3.831  -2.068   3.208
  101    HB3  ARG  13           1HB      ARG  13   2.788  -1.121   2.159
  102    HG2  ARG  13           2HG      ARG  13   1.955  -1.037   4.412
  103    HG3  ARG  13           1HG      ARG  13   0.832  -1.951   3.406
  104    HD2  ARG  13           2HD      ARG  13   1.189  -3.034   5.591
  105    HD3  ARG  13           1HD      ARG  13   1.731  -4.045   4.262
  106    HE   ARG  13           HE       ARG  13   3.966  -3.612   4.844
  107   HH11  ARG  13          1HH1      ARG  13   1.684  -2.212   7.181
  108   HH12  ARG  13          2HH1      ARG  13   2.862  -2.051   8.404
  109   HH21  ARG  13          1HH2      ARG  13   5.532  -3.387   6.563
  110   HH22  ARG  13          2HH2      ARG  13   5.022  -2.709   8.064
  111    H    ABA  14           H        ABA  14   0.647  -4.651   2.080
  112    HA   ABA  14           HA       ABA  14  -0.733  -3.403  -0.154
  113    HB3  ABA  14           1HB      ABA  14  -1.465  -5.840   1.488
  114    HB2  ABA  14           2HB      ABA  14  -0.644  -5.881  -0.069
  115    HG1  ABA  14           3HG      ABA  14  -2.994  -6.398  -0.326
  116    HG3  ABA  14           1HG      ABA  14  -2.606  -4.875  -1.128
  117    HG2  ABA  14           2HG      ABA  14  -3.417  -4.867   0.440
  118    H    VAL  15           H        VAL  15  -1.846  -1.678   0.348
  119    HA   VAL  15           HA       VAL  15  -3.005  -1.478   3.021
  120    HB   VAL  15           HB       VAL  15  -3.299   0.965   2.554
  121   HG11  VAL  15          1HG1      VAL  15  -1.316   0.199   3.728
  122   HG12  VAL  15          2HG1      VAL  15  -0.926   1.583   2.699
  123   HG13  VAL  15          3HG1      VAL  15  -0.479  -0.044   2.195
  124   HG21  VAL  15          3HG2      VAL  15  -2.159   1.991   0.623
  125   HG22  VAL  15          1HG2      VAL  15  -3.440   0.895   0.107
  126   HG23  VAL  15          2HG2      VAL  15  -1.754   0.389   0.009
  127    H    CYS  16           H        CYS  16  -5.139  -1.459   3.335
  128    HA   CYS  16           HA       CYS  16  -6.786  -1.686   0.920
  129    HB2  CYS  16           2HB      CYS  16  -7.154  -3.103   3.559
  130    HB3  CYS  16           1HB      CYS  16  -8.193  -3.243   2.146
  131    H    ARG  17           H        ARG  17  -8.594  -0.574   0.799
  132    HA   ARG  17           HA       ARG  17  -9.688   0.659   3.180
  133    HB2  ARG  17           2HB      ARG  17 -10.059   2.798   1.959
  134    HB3  ARG  17           1HB      ARG  17  -8.365   2.443   2.216
  135    HG2  ARG  17           2HG      ARG  17  -8.183   1.685  -0.116
  136    HG3  ARG  17           1HG      ARG  17  -9.886   2.075  -0.357
  137    HD2  ARG  17           2HD      ARG  17  -9.411   4.408   0.245
  138    HD3  ARG  17           1HD      ARG  17  -7.702   4.003   0.400
  139    HE   ARG  17           HE       ARG  17  -8.694   3.252  -2.124
  140   HH11  ARG  17          1HH1      ARG  17  -7.793   6.133  -0.289
  141   HH12  ARG  17          2HH1      ARG  17  -7.390   7.059  -1.661
  142   HH21  ARG  17          1HH2      ARG  17  -8.166   4.502  -3.995
  143   HH22  ARG  17          2HH2      ARG  17  -7.622   6.107  -3.836
  144    H    ARG  18           H        ARG  18 -11.543  -0.229   3.351
  145    HA   ARG  18           HA       ARG  18 -13.565  -1.125   2.994
  146    HB2  ARG  18           2HB      ARG  18 -13.964   1.299   2.353
  147    HB3  ARG  18           1HB      ARG  18 -13.769   0.816   0.675
  148    HG2  ARG  18           2HG      ARG  18 -15.707  -0.645   0.856
  149    HG3  ARG  18           1HG      ARG  18 -15.885  -0.214   2.556
  150    HD2  ARG  18           2HD      ARG  18 -17.450   1.070   1.287
  151    HD3  ARG  18           1HD      ARG  18 -16.177   2.143   1.858
  152    HE   ARG  18           HE       ARG  18 -15.610   1.173  -0.733
  153   HH11  ARG  18          1HH1      ARG  18 -17.549   3.606   0.982
  154   HH12  ARG  18          2HH1      ARG  18 -17.840   4.554  -0.399
  155   HH21  ARG  18          1HH2      ARG  18 -16.004   2.482  -2.610
  156   HH22  ARG  18          2HH2      ARG  18 -16.903   3.925  -2.495
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -12.071  -3.215   1.276
    2    HA2  GLY   1           2HA      GLY   1 -12.341  -4.745  -0.423
    3    HA3  GLY   1           1HA      GLY   1 -13.538  -3.693  -1.144
    4    H    VAL   2           H        VAL   2 -10.653  -1.993  -0.545
    5    HA   VAL   2           HA       VAL   2  -9.688  -2.636  -3.240
    6    HB   VAL   2           HB       VAL   2  -9.607   0.111  -1.944
    7   HG11  VAL   2          1HG1      VAL   2  -8.820   0.898  -4.126
    8   HG12  VAL   2          2HG1      VAL   2  -8.823  -0.758  -4.724
    9   HG13  VAL   2          3HG1      VAL   2  -7.720  -0.294  -3.430
   10   HG21  VAL   2          3HG2      VAL   2 -11.327  -0.879  -4.221
   11   HG22  VAL   2          1HG2      VAL   2 -11.224   0.793  -3.667
   12   HG23  VAL   2          2HG2      VAL   2 -11.887  -0.453  -2.609
   13    H    CYS   3           H        CYS   3  -7.814  -3.644  -3.042
   14    HA   CYS   3           HA       CYS   3  -6.006  -2.964  -0.854
   15    HB2  CYS   3           2HB      CYS   3  -5.895  -5.197  -2.888
   16    HB3  CYS   3           1HB      CYS   3  -4.680  -4.916  -1.646
   17    H    ARG   4           H        ARG   4  -4.730  -1.385  -1.105
   18    HA   ARG   4           HA       ARG   4  -3.561  -0.941  -3.749
   19    HB2  ARG   4           2HB      ARG   4  -3.931   0.955  -1.422
   20    HB3  ARG   4           1HB      ARG   4  -3.026   1.352  -2.877
   21    HG2  ARG   4           2HG      ARG   4  -5.038   0.993  -4.227
   22    HG3  ARG   4           1HG      ARG   4  -5.930   0.606  -2.760
   23    HD2  ARG   4           2HD      ARG   4  -5.650   2.837  -1.931
   24    HD3  ARG   4           1HD      ARG   4  -4.570   3.243  -3.272
   25    HE   ARG   4           HE       ARG   4  -6.746   2.455  -4.556
   26   HH11  ARG   4          1HH1      ARG   4  -6.394   4.816  -1.910
   27   HH12  ARG   4          2HH1      ARG   4  -7.715   5.745  -2.426
   28   HH21  ARG   4          1HH2      ARG   4  -8.561   3.770  -5.219
   29   HH22  ARG   4          2HH2      ARG   4  -8.965   5.149  -4.300
   30    H    ABA   5           H        ABA   5  -1.719  -1.853  -3.959
   31    HA   ABA   5           HA       ABA   5   0.030  -2.297  -1.684
   32    HB3  ABA   5           1HB      ABA   5   0.199  -3.237  -4.552
   33    HB2  ABA   5           2HB      ABA   5  -0.439  -4.170  -3.207
   34    HG1  ABA   5           3HG      ABA   5   2.413  -3.248  -3.488
   35    HG3  ABA   5           1HG      ABA   5   1.814  -4.879  -3.784
   36    HG2  ABA   5           2HG      ABA   5   1.755  -4.203  -2.160
   37    H    VAL   6           H        VAL   6   1.146  -0.491  -1.215
   38    HA   VAL   6           HA       VAL   6   2.570   0.822  -3.424
   39    HB   VAL   6           HB       VAL   6   2.570   1.671  -0.570
   40   HG11  VAL   6          1HG1      VAL   6   3.069   3.215  -3.088
   41   HG12  VAL   6          2HG1      VAL   6   4.263   2.689  -1.903
   42   HG13  VAL   6          3HG1      VAL   6   3.066   3.912  -1.472
   43   HG21  VAL   6          3HG2      VAL   6   0.537   2.573  -2.616
   44   HG22  VAL   6          1HG2      VAL   6   0.742   3.296  -1.019
   45   HG23  VAL   6          2HG2      VAL   6   0.203   1.623  -1.165
   46    H    ABA   7           H        ABA   7   4.681   0.500  -3.482
   47    HA   ABA   7           HA       ABA   7   5.977  -0.830  -1.223
   48    HB3  ABA   7           1HB      ABA   7   6.250  -1.799  -4.074
   49    HB2  ABA   7           2HB      ABA   7   5.260  -2.580  -2.846
   50    HG1  ABA   7           3HG      ABA   7   7.234  -3.076  -1.530
   51    HG3  ABA   7           1HG      ABA   7   8.241  -2.228  -2.703
   52    HG2  ABA   7           2HG      ABA   7   7.406  -3.709  -3.168
   53    H    ARG   8           H        ARG   8   7.705   0.268  -0.669
   54    HA   ARG   8           HA       ARG   8   9.151   1.688  -2.788
   55    HB2  ARG   8           2HB      ARG   8   8.826   2.609   0.074
   56    HB3  ARG   8           1HB      ARG   8   9.760   3.414  -1.165
   57    HG2  ARG   8           2HG      ARG   8   6.765   3.153  -0.976
   58    HG3  ARG   8           1HG      ARG   8   7.731   4.621  -0.896
   59    HD2  ARG   8           2HD      ARG   8   7.257   2.864  -3.306
   60    HD3  ARG   8           1HD      ARG   8   6.654   4.494  -3.049
   61    HE   ARG   8           HE       ARG   8   9.438   4.611  -2.955
   62   HH11  ARG   8          1HH1      ARG   8   6.897   3.896  -5.341
   63   HH12  ARG   8          2HH1      ARG   8   7.891   4.319  -6.673
   64   HH21  ARG   8          1HH2      ARG   8  10.732   5.175  -4.812
   65   HH22  ARG   8          2HH2      ARG   8  10.070   5.057  -6.377
   66    H    ARG   9           H        ARG   9  10.669   0.154  -3.121
   67    HA   ARG   9           HA       ARG   9  12.566  -0.970  -2.889
   68    HB2  ARG   9           2HB      ARG   9  13.424   1.270  -2.273
   69    HB3  ARG   9           1HB      ARG   9  13.068   0.934  -0.589
   70    HG2  ARG   9           2HG      ARG   9  14.690  -0.921  -0.653
   71    HG3  ARG   9           1HG      ARG   9  15.088  -0.486  -2.312
   72    HD2  ARG   9           2HD      ARG   9  16.710   0.440  -0.770
   73    HD3  ARG   9           1HD      ARG   9  15.795   1.733  -1.548
   74    HE   ARG   9           HE       ARG   9  14.403   1.548   0.618
   75   HH11  ARG   9          1HH1      ARG   9  17.922   1.228   0.406
   76   HH12  ARG   9          2HH1      ARG   9  18.199   1.848   1.978
   77   HH21  ARG   9          1HH2      ARG   9  14.811   2.406   2.780
   78   HH22  ARG   9          2HH2      ARG   9  16.404   2.549   3.322
   79    H    GLY  10           H        GLY  10  10.907  -2.611  -2.174
   80    HA2  GLY  10           2HA      GLY  10  10.919  -4.652  -1.056
   81    HA3  GLY  10           1HA      GLY  10  12.088  -3.992   0.078
   82    H    VAL  11           H        VAL  11  10.371  -1.655   0.621
   83    HA   VAL  11           HA       VAL  11   8.838  -2.841   2.745
   84    HB   VAL  11           HB       VAL  11   8.969   0.067   1.890
   85   HG11  VAL  11          1HG1      VAL  11   8.103  -1.170   4.506
   86   HG12  VAL  11          2HG1      VAL  11   7.050  -0.401   3.316
   87   HG13  VAL  11          3HG1      VAL  11   8.251   0.557   4.183
   88   HG21  VAL  11          3HG2      VAL  11  10.632   0.349   3.657
   89   HG22  VAL  11          1HG2      VAL  11  11.190  -0.775   2.417
   90   HG23  VAL  11          2HG2      VAL  11  10.605  -1.387   3.963
   91    H    ABA  12           H        ABA  12   7.005  -3.785   2.182
   92    HA   ABA  12           HA       ABA  12   5.378  -2.566   0.093
   93    HB3  ABA  12           1HB      ABA  12   5.245  -5.350   1.274
   94    HB2  ABA  12           2HB      ABA  12   6.016  -4.925  -0.248
   95    HG1  ABA  12           3HG      ABA  12   3.083  -4.687   0.376
   96    HG3  ABA  12           1HG      ABA  12   3.845  -5.904  -0.645
   97    HG2  ABA  12           2HG      ABA  12   3.846  -4.216  -1.145
   98    H    ARG  13           H        ARG  13   3.810  -1.400   0.743
   99    HA   ARG  13           HA       ARG  13   2.445  -2.004   3.254
  100    HB2  ARG  13           2HB      ARG  13   3.656   0.147   3.321
  101    HB3  ARG  13           1HB      ARG  13   2.840   0.655   1.854
  102    HG2  ARG  13           2HG      ARG  13   0.696   0.618   3.035
  103    HG3  ARG  13           1HG      ARG  13   1.522   0.114   4.509
  104    HD2  ARG  13           2HD      ARG  13   2.066   2.671   3.005
  105    HD3  ARG  13           1HD      ARG  13   1.057   2.553   4.442
  106    HE   ARG  13           HE       ARG  13   3.181   1.602   5.484
  107   HH11  ARG  13          1HH1      ARG  13   3.203   4.162   2.983
  108   HH12  ARG  13          2HH1      ARG  13   4.622   4.874   3.559
  109   HH21  ARG  13          1HH2      ARG  13   5.142   2.641   6.237
  110   HH22  ARG  13          2HH2      ARG  13   5.726   4.032   5.450
  111    H    ABA  14           H        ABA  14   1.084  -3.440   2.148
  112    HA   ABA  14           HA       ABA  14  -0.627  -2.270   0.108
  113    HB3  ABA  14           1HB      ABA  14  -0.553  -5.112   1.161
  114    HB2  ABA  14           2HB      ABA  14   0.270  -4.560  -0.297
  115    HG1  ABA  14           3HG      ABA  14  -2.705  -4.596   0.165
  116    HG3  ABA  14           1HG      ABA  14  -1.793  -5.695  -0.871
  117    HG2  ABA  14           2HG      ABA  14  -1.908  -3.984  -1.283
  118    H    VAL  15           H        VAL  15  -2.189  -1.162   0.809
  119    HA   VAL  15           HA       VAL  15  -3.417  -1.865   3.374
  120    HB   VAL  15           HB       VAL  15  -3.698   0.705   1.799
  121   HG11  VAL  15          1HG1      VAL  15  -4.685   1.601   3.869
  122   HG12  VAL  15          2HG1      VAL  15  -4.563   0.003   4.604
  123   HG13  VAL  15          3HG1      VAL  15  -5.623   0.254   3.218
  124   HG21  VAL  15          3HG2      VAL  15  -1.425   0.464   2.605
  125   HG22  VAL  15          1HG2      VAL  15  -2.012   0.103   4.229
  126   HG23  VAL  15          2HG2      VAL  15  -2.265   1.705   3.540
  127    H    CYS  16           H        CYS  16  -5.079  -3.150   3.122
  128    HA   CYS  16           HA       CYS  16  -6.884  -2.815   0.866
  129    HB2  CYS  16           2HB      CYS  16  -6.827  -4.875   3.079
  130    HB3  CYS  16           1HB      CYS  16  -7.930  -4.863   1.711
  131    H    ARG  17           H        ARG  17  -8.191  -1.256   1.065
  132    HA   ARG  17           HA       ARG  17  -9.589  -0.998   3.613
  133    HB2  ARG  17           2HB      ARG  17  -7.897   0.811   3.335
  134    HB3  ARG  17           1HB      ARG  17  -8.693   1.286   1.843
  135    HG2  ARG  17           2HG      ARG  17  -9.308   2.755   3.693
  136    HG3  ARG  17           1HG      ARG  17 -10.713   1.866   3.099
  137    HD2  ARG  17           2HD      ARG  17 -10.638   1.942   5.556
  138    HD3  ARG  17           1HD      ARG  17 -10.530   0.297   4.944
  139    HE   ARG  17           HE       ARG  17  -8.083   1.745   5.622
  140   HH11  ARG  17          1HH1      ARG  17 -10.333  -0.893   6.368
  141   HH12  ARG  17          2HH1      ARG  17  -9.287  -1.700   7.422
  142   HH21  ARG  17          1HH2      ARG  17  -6.599   0.619   7.098
  143   HH22  ARG  17          2HH2      ARG  17  -7.103  -0.800   7.873
  144    H    ARG  18           H        ARG  18 -11.604  -1.360   3.334
  145    HA   ARG  18           HA       ARG  18 -13.675  -1.574   2.541
  146    HB2  ARG  18           2HB      ARG  18 -13.431   0.914   2.747
  147    HB3  ARG  18           1HB      ARG  18 -13.070   0.972   1.033
  148    HG2  ARG  18           2HG      ARG  18 -15.292   0.137   0.508
  149    HG3  ARG  18           1HG      ARG  18 -15.650  -0.026   2.230
  150    HD2  ARG  18           2HD      ARG  18 -15.309   2.388   2.509
  151    HD3  ARG  18           1HD      ARG  18 -15.023   2.535   0.775
  152    HE   ARG  18           HE       ARG  18 -17.399   1.456   0.727
  153   HH11  ARG  18          1HH1      ARG  18 -16.212   3.990   2.914
  154   HH12  ARG  18          2HH1      ARG  18 -17.705   4.757   3.082
  155   HH21  ARG  18          1HH2      ARG  18 -19.524   2.541   0.975
  156   HH22  ARG  18          2HH2      ARG  18 -19.629   3.922   1.951
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -11.822  -2.774   1.020
    2    HA2  GLY   1           2HA      GLY   1 -11.886  -4.531  -0.500
    3    HA3  GLY   1           1HA      GLY   1 -13.009  -3.605  -1.490
    4    H    VAL   2           H        VAL   2 -10.694  -1.463  -0.834
    5    HA   VAL   2           HA       VAL   2  -9.408  -1.985  -3.394
    6    HB   VAL   2           HB       VAL   2  -9.350   0.527  -1.686
    7   HG11  VAL   2          1HG1      VAL   2  -7.403   0.336  -3.133
    8   HG12  VAL   2          2HG1      VAL   2  -8.469   1.628  -3.693
    9   HG13  VAL   2          3HG1      VAL   2  -8.450   0.077  -4.527
   10   HG21  VAL   2          3HG2      VAL   2 -10.906   1.487  -3.334
   11   HG22  VAL   2          1HG2      VAL   2 -11.611   0.094  -2.512
   12   HG23  VAL   2          2HG2      VAL   2 -10.988  -0.074  -4.156
   13    H    CYS   3           H        CYS   3  -7.655  -3.159  -3.200
   14    HA   CYS   3           HA       CYS   3  -5.965  -2.860  -0.857
   15    HB2  CYS   3           2HB      CYS   3  -6.017  -4.921  -3.057
   16    HB3  CYS   3           1HB      CYS   3  -4.786  -4.869  -1.795
   17    H    ARG   4           H        ARG   4  -4.566  -1.382  -0.956
   18    HA   ARG   4           HA       ARG   4  -3.290  -0.707  -3.511
   19    HB2  ARG   4           2HB      ARG   4  -4.509   1.072  -2.284
   20    HB3  ARG   4           1HB      ARG   4  -3.439   0.827  -0.920
   21    HG2  ARG   4           2HG      ARG   4  -1.533   1.521  -2.300
   22    HG3  ARG   4           1HG      ARG   4  -2.635   1.794  -3.651
   23    HD2  ARG   4           2HD      ARG   4  -2.661   3.199  -0.989
   24    HD3  ARG   4           1HD      ARG   4  -2.228   3.908  -2.550
   25    HE   ARG   4           HE       ARG   4  -4.600   3.273  -3.176
   26   HH11  ARG   4          1HH1      ARG   4  -3.660   4.396   0.060
   27   HH12  ARG   4          2HH1      ARG   4  -5.241   4.888   0.479
   28   HH21  ARG   4          1HH2      ARG   4  -6.767   3.917  -2.544
   29   HH22  ARG   4          2HH2      ARG   4  -7.053   4.547  -1.005
   30    H    ABA   5           H        ABA   5  -1.463  -1.850  -3.675
   31    HA   ABA   5           HA       ABA   5   0.085  -2.466  -1.319
   32    HB3  ABA   5           1HB      ABA   5   0.549  -3.162  -4.230
   33    HB2  ABA   5           2HB      ABA   5  -0.271  -4.188  -3.060
   34    HG1  ABA   5           3HG      ABA   5   1.780  -4.360  -1.757
   35    HG3  ABA   5           1HG      ABA   5   2.608  -3.334  -2.928
   36    HG2  ABA   5           2HG      ABA   5   2.017  -4.917  -3.416
   37    H    VAL   6           H        VAL   6   0.946  -0.585  -0.641
   38    HA   VAL   6           HA       VAL   6   2.381   1.027  -2.535
   39    HB   VAL   6           HB       VAL   6   2.986   2.497  -0.578
   40   HG11  VAL   6          1HG1      VAL   6   0.722   3.413  -0.274
   41   HG12  VAL   6          2HG1      VAL   6   0.052   1.937  -0.955
   42   HG13  VAL   6          3HG1      VAL   6   1.049   2.991  -1.954
   43   HG21  VAL   6          3HG2      VAL   6   1.781   2.195   1.555
   44   HG22  VAL   6          1HG2      VAL   6   2.864   0.841   1.228
   45   HG23  VAL   6          2HG2      VAL   6   1.128   0.668   0.962
   46    H    ABA   7           H        ABA   7   4.134   0.290  -3.244
   47    HA   ABA   7           HA       ABA   7   5.937  -1.121  -1.432
   48    HB3  ABA   7           1HB      ABA   7   5.589  -1.537  -4.406
   49    HB2  ABA   7           2HB      ABA   7   4.889  -2.571  -3.166
   50    HG1  ABA   7           3HG      ABA   7   7.114  -3.175  -2.396
   51    HG3  ABA   7           1HG      ABA   7   7.819  -2.106  -3.604
   52    HG2  ABA   7           2HG      ABA   7   6.915  -3.535  -4.109
   53    H    ARG   8           H        ARG   8   7.487   0.140  -0.952
   54    HA   ARG   8           HA       ARG   8   8.650   1.865  -3.014
   55    HB2  ARG   8           2HB      ARG   8   8.475   2.419  -0.035
   56    HB3  ARG   8           1HB      ARG   8   9.230   3.453  -1.238
   57    HG2  ARG   8           2HG      ARG   8   6.294   2.776  -1.105
   58    HG3  ARG   8           1HG      ARG   8   7.028   4.301  -0.600
   59    HD2  ARG   8           2HD      ARG   8   7.698   4.785  -2.854
   60    HD3  ARG   8           1HD      ARG   8   7.227   3.171  -3.375
   61    HE   ARG   8           HE       ARG   8   5.161   4.917  -2.305
   62   HH11  ARG   8          1HH1      ARG   8   6.656   3.357  -5.113
   63   HH12  ARG   8          2HH1      ARG   8   5.314   3.558  -6.125
   64   HH21  ARG   8          1HH2      ARG   8   3.314   5.206  -3.709
   65   HH22  ARG   8          2HH2      ARG   8   3.379   4.651  -5.324
   66    H    ARG   9           H        ARG   9   9.933   0.228  -3.575
   67    HA   ARG   9           HA       ARG   9  11.655  -1.187  -3.629
   68    HB2  ARG   9           2HB      ARG   9  12.679   1.060  -3.886
   69    HB3  ARG   9           1HB      ARG   9  13.060   1.042  -2.167
   70    HG2  ARG   9           2HG      ARG   9  14.508  -0.853  -2.456
   71    HG3  ARG   9           1HG      ARG   9  14.037  -1.002  -4.148
   72    HD2  ARG   9           2HD      ARG   9  14.976   1.261  -4.538
   73    HD3  ARG   9           1HD      ARG   9  15.568   1.253  -2.872
   74    HE   ARG   9           HE       ARG   9  16.662  -0.929  -3.645
   75   HH11  ARG   9          1HH1      ARG   9  16.337   2.014  -5.581
   76   HH12  ARG   9          2HH1      ARG   9  17.690   1.721  -6.550
   77   HH21  ARG   9          1HH2      ARG   9  18.524  -1.363  -4.980
   78   HH22  ARG   9          2HH2      ARG   9  18.995  -0.273  -6.202
   79    H    GLY  10           H        GLY  10  10.654  -2.702  -2.242
   80    HA2  GLY  10           2HA      GLY  10  11.316  -4.404  -0.752
   81    HA3  GLY  10           1HA      GLY  10  12.383  -3.254   0.043
   82    H    VAL  11           H        VAL  11  10.459  -1.182   0.418
   83    HA   VAL  11           HA       VAL  11   9.075  -2.316   2.689
   84    HB   VAL  11           HB       VAL  11   9.126   0.560   1.701
   85   HG11  VAL  11          1HG1      VAL  11   8.198  -0.577   4.339
   86   HG12  VAL  11          2HG1      VAL  11   7.154   0.033   3.069
   87   HG13  VAL  11          3HG1      VAL  11   8.247   1.135   3.909
   88   HG21  VAL  11          3HG2      VAL  11  10.721   0.953   3.513
   89   HG22  VAL  11          1HG2      VAL  11  11.338  -0.243   2.374
   90   HG23  VAL  11          2HG2      VAL  11  10.683  -0.760   3.931
   91    H    ABA  12           H        ABA  12   7.385  -3.475   2.090
   92    HA   ABA  12           HA       ABA  12   5.483  -2.294   0.198
   93    HB3  ABA  12           1HB      ABA  12   6.101  -5.199   0.759
   94    HB2  ABA  12           2HB      ABA  12   6.597  -4.304  -0.665
   95    HG1  ABA  12           3HG      ABA  12   4.294  -4.057  -1.352
   96    HG3  ABA  12           1HG      ABA  12   3.756  -4.882   0.113
   97    HG2  ABA  12           2HG      ABA  12   4.699  -5.754  -1.093
   98    H    ARG  13           H        ARG  13   3.528  -1.890   0.972
   99    HA   ARG  13           HA       ARG  13   2.503  -3.442   3.229
  100    HB2  ARG  13           2HB      ARG  13   3.314  -1.205   4.027
  101    HB3  ARG  13           1HB      ARG  13   2.210  -0.445   2.895
  102    HG2  ARG  13           2HG      ARG  13   0.319  -1.537   4.081
  103    HG3  ARG  13           1HG      ARG  13   1.476  -2.149   5.264
  104    HD2  ARG  13           2HD      ARG  13   2.152   0.179   5.756
  105    HD3  ARG  13           1HD      ARG  13   0.923   0.741   4.626
  106    HE   ARG  13           HE       ARG  13   0.023  -0.967   6.779
  107   HH11  ARG  13          1HH1      ARG  13   0.360   2.345   5.595
  108   HH12  ARG  13          2HH1      ARG  13  -0.772   3.000   6.688
  109   HH21  ARG  13          1HH2      ARG  13  -1.530  -0.060   8.295
  110   HH22  ARG  13          2HH2      ARG  13  -1.871   1.605   8.235
  111    H    ABA  14           H        ABA  14   0.636  -4.356   2.606
  112    HA   ABA  14           HA       ABA  14  -0.731  -3.235   0.295
  113    HB3  ABA  14           1HB      ABA  14  -1.073  -5.940   1.613
  114    HB2  ABA  14           2HB      ABA  14  -0.031  -5.636   0.229
  115    HG1  ABA  14           3HG      ABA  14  -3.022  -5.315   0.293
  116    HG3  ABA  14           1HG      ABA  14  -2.118  -6.624  -0.472
  117    HG2  ABA  14           2HG      ABA  14  -1.979  -4.978  -1.092
  118    H    VAL  15           H        VAL  15  -1.968  -1.678   1.044
  119    HA   VAL  15           HA       VAL  15  -3.467  -2.010   3.516
  120    HB   VAL  15           HB       VAL  15  -3.332   0.362   1.634
  121   HG11  VAL  15          1HG1      VAL  15  -5.288   0.395   3.052
  122   HG12  VAL  15          2HG1      VAL  15  -4.156   1.662   3.535
  123   HG13  VAL  15          3HG1      VAL  15  -4.284   0.182   4.485
  124   HG21  VAL  15          3HG2      VAL  15  -1.751  -0.169   4.147
  125   HG22  VAL  15          1HG2      VAL  15  -1.750   1.338   3.232
  126   HG23  VAL  15          2HG2      VAL  15  -1.120  -0.137   2.498
  127    H    CYS  16           H        CYS  16  -5.324  -3.074   3.301
  128    HA   CYS  16           HA       CYS  16  -6.928  -2.674   0.874
  129    HB2  CYS  16           2HB      CYS  16  -7.036  -4.906   2.914
  130    HB3  CYS  16           1HB      CYS  16  -8.128  -4.741   1.548
  131    H    ARG  17           H        ARG  17  -8.266  -1.070   1.152
  132    HA   ARG  17           HA       ARG  17  -9.956  -1.127   3.524
  133    HB2  ARG  17           2HB      ARG  17  -8.728   1.346   2.293
  134    HB3  ARG  17           1HB      ARG  17  -9.974   1.366   3.524
  135    HG2  ARG  17           2HG      ARG  17  -8.416   0.237   5.069
  136    HG3  ARG  17           1HG      ARG  17  -7.170   0.304   3.825
  137    HD2  ARG  17           2HD      ARG  17  -6.862   2.150   5.353
  138    HD3  ARG  17           1HD      ARG  17  -7.405   2.778   3.796
  139    HE   ARG  17           HE       ARG  17  -9.461   2.253   5.743
  140   HH11  ARG  17          1HH1      ARG  17  -7.368   4.671   4.284
  141   HH12  ARG  17          2HH1      ARG  17  -8.225   6.016   4.873
  142   HH21  ARG  17          1HH2      ARG  17 -10.680   4.098   6.573
  143   HH22  ARG  17          2HH2      ARG  17 -10.166   5.679   6.240
  144    H    ARG  18           H        ARG  18 -11.986  -1.147   3.010
  145    HA   ARG  18           HA       ARG  18 -13.950  -1.050   1.916
  146    HB2  ARG  18           2HB      ARG  18 -13.361   1.399   1.874
  147    HB3  ARG  18           1HB      ARG  18 -12.650   1.163   0.294
  148    HG2  ARG  18           2HG      ARG  18 -14.834   0.579  -0.616
  149    HG3  ARG  18           1HG      ARG  18 -15.560   0.790   0.985
  150    HD2  ARG  18           2HD      ARG  18 -14.881   3.113   1.002
  151    HD3  ARG  18           1HD      ARG  18 -14.104   2.915  -0.568
  152    HE   ARG  18           HE       ARG  18 -16.710   2.148  -0.929
  153   HH11  ARG  18          1HH1      ARG  18 -15.054   5.093   0.079
  154   HH12  ARG  18          2HH1      ARG  18 -16.262   6.136  -0.479
  155   HH21  ARG  18          1HH2      ARG  18 -18.352   3.569  -1.707
  156   HH22  ARG  18          2HH2      ARG  18 -18.198   5.256  -1.510
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -10.752  -1.206   2.156
    2    HA2  GLY   1           2HA      GLY   1 -11.377  -3.504   2.133
    3    HA3  GLY   1           1HA      GLY   1 -12.697  -3.098   1.047
    4    H    VAL   2           H        VAL   2 -10.625  -1.378  -0.472
    5    HA   VAL   2           HA       VAL   2  -9.895  -3.573  -2.226
    6    HB   VAL   2           HB       VAL   2  -9.558  -0.587  -2.675
    7   HG11  VAL   2          1HG1      VAL   2  -9.335  -1.209  -5.048
    8   HG12  VAL   2          2HG1      VAL   2  -9.411  -2.914  -4.593
    9   HG13  VAL   2          3HG1      VAL   2  -8.064  -1.918  -4.047
   10   HG21  VAL   2          3HG2      VAL   2 -11.557  -0.738  -4.102
   11   HG22  VAL   2          1HG2      VAL   2 -11.921  -1.153  -2.427
   12   HG23  VAL   2          2HG2      VAL   2 -11.754  -2.427  -3.633
   13    H    CYS   3           H        CYS   3  -8.060  -4.487  -1.920
   14    HA   CYS   3           HA       CYS   3  -5.973  -3.108  -0.444
   15    HB2  CYS   3           2HB      CYS   3  -6.374  -6.017  -1.082
   16    HB3  CYS   3           1HB      CYS   3  -5.098  -5.353  -0.063
   17    H    ARG   4           H        ARG   4  -4.643  -2.029  -1.531
   18    HA   ARG   4           HA       ARG   4  -3.735  -3.060  -4.116
   19    HB2  ARG   4           2HB      ARG   4  -4.735  -0.810  -4.159
   20    HB3  ARG   4           1HB      ARG   4  -3.564  -0.271  -2.966
   21    HG2  ARG   4           2HG      ARG   4  -1.745  -0.681  -4.559
   22    HG3  ARG   4           1HG      ARG   4  -2.927  -1.216  -5.762
   23    HD2  ARG   4           2HD      ARG   4  -2.788   1.526  -4.503
   24    HD3  ARG   4           1HD      ARG   4  -2.236   1.106  -6.127
   25    HE   ARG   4           HE       ARG   4  -4.799   0.311  -6.133
   26   HH11  ARG   4          1HH1      ARG   4  -3.289   3.403  -5.269
   27   HH12  ARG   4          2HH1      ARG   4  -4.620   4.345  -5.788
   28   HH21  ARG   4          1HH2      ARG   4  -6.604   1.659  -6.873
   29   HH22  ARG   4          2HH2      ARG   4  -6.483   3.351  -6.692
   30    H    ABA   5           H        ABA   5  -1.754  -3.867  -4.179
   31    HA   ABA   5           HA       ABA   5   0.002  -3.655  -1.896
   32    HB3  ABA   5           1HB      ABA   5   0.367  -5.023  -4.569
   33    HB2  ABA   5           2HB      ABA   5  -0.250  -5.792  -3.116
   34    HG1  ABA   5           3HG      ABA   5   2.514  -4.673  -3.491
   35    HG3  ABA   5           1HG      ABA   5   2.068  -6.379  -3.473
   36    HG2  ABA   5           2HG      ABA   5   1.897  -5.405  -2.010
   37    H    VAL   6           H        VAL   6   1.237  -1.926  -1.638
   38    HA   VAL   6           HA       VAL   6   2.374  -0.784  -4.060
   39    HB   VAL   6           HB       VAL   6   0.741   0.720  -3.263
   40   HG11  VAL   6          1HG1      VAL   6   0.900   1.862  -1.038
   41   HG12  VAL   6          2HG1      VAL   6   2.210   0.756  -0.624
   42   HG13  VAL   6          3HG1      VAL   6   0.585   0.128  -0.922
   43   HG21  VAL   6          3HG2      VAL   6   2.644   1.796  -4.242
   44   HG22  VAL   6          1HG2      VAL   6   3.500   1.796  -2.703
   45   HG23  VAL   6          2HG2      VAL   6   2.076   2.805  -2.910
   46    H    ABA   7           H        ABA   7   4.348  -0.132  -4.007
   47    HA   ABA   7           HA       ABA   7   6.010  -1.333  -1.903
   48    HB3  ABA   7           1HB      ABA   7   6.865  -0.359  -4.639
   49    HB2  ABA   7           2HB      ABA   7   6.473  -2.030  -4.249
   50    HG1  ABA   7           3HG      ABA   7   8.884  -1.673  -4.298
   51    HG3  ABA   7           1HG      ABA   7   8.345  -2.099  -2.675
   52    HG2  ABA   7           2HG      ABA   7   8.737  -0.424  -3.067
   53    H    ARG   8           H        ARG   8   6.458   0.014  -0.332
   54    HA   ARG   8           HA       ARG   8   7.538   2.658  -0.958
   55    HB2  ARG   8           2HB      ARG   8   5.702   1.990   1.366
   56    HB3  ARG   8           1HB      ARG   8   6.419   3.541   1.015
   57    HG2  ARG   8           2HG      ARG   8   5.039   3.862  -0.900
   58    HG3  ARG   8           1HG      ARG   8   4.452   2.199  -0.819
   59    HD2  ARG   8           2HD      ARG   8   3.955   4.372   1.215
   60    HD3  ARG   8           1HD      ARG   8   2.779   3.711   0.078
   61    HE   ARG   8           HE       ARG   8   3.962   1.687   1.661
   62   HH11  ARG   8          1HH1      ARG   8   1.342   4.086   1.711
   63   HH12  ARG   8          2HH1      ARG   8   0.515   3.349   2.990
   64   HH21  ARG   8          1HH2      ARG   8   2.864   0.704   3.391
   65   HH22  ARG   8          2HH2      ARG   8   1.393   1.331   3.976
   66    H    ARG   9           H        ARG   9   9.311   3.064   0.306
   67    HA   ARG   9           HA       ARG   9  11.107   2.691   1.585
   68    HB2  ARG   9           2HB      ARG   9   9.388   2.925   3.392
   69    HB3  ARG   9           1HB      ARG   9   9.146   1.198   3.367
   70    HG2  ARG   9           2HG      ARG   9  10.486   1.982   5.301
   71    HG3  ARG   9           1HG      ARG   9  11.355   0.830   4.295
   72    HD2  ARG   9           2HD      ARG   9  11.680   3.785   3.915
   73    HD3  ARG   9           1HD      ARG   9  12.605   2.930   5.142
   74    HE   ARG   9           HE       ARG   9  13.238   1.450   3.134
   75   HH11  ARG   9          1HH1      ARG   9  12.916   4.962   3.062
   76   HH12  ARG   9          2HH1      ARG   9  13.975   5.184   1.757
   77   HH21  ARG   9          1HH2      ARG   9  14.710   1.732   1.353
   78   HH22  ARG   9          2HH2      ARG   9  15.005   3.296   0.739
   79    H    GLY  10           H        GLY  10  10.349   0.822  -0.493
   80    HA2  GLY  10           2HA      GLY  10  11.417  -0.948  -1.511
   81    HA3  GLY  10           1HA      GLY  10  12.482  -1.027  -0.118
   82    H    VAL  11           H        VAL  11   9.015  -1.245   0.262
   83    HA   VAL  11           HA       VAL  11   9.148  -4.120   0.200
   84    HB   VAL  11           HB       VAL  11   9.671  -3.538   2.552
   85   HG11  VAL  11          1HG1      VAL  11   8.526  -1.427   2.773
   86   HG12  VAL  11          2HG1      VAL  11   7.984  -2.545   4.023
   87   HG13  VAL  11          3HG1      VAL  11   6.966  -2.231   2.619
   88   HG21  VAL  11          3HG2      VAL  11   8.545  -5.631   2.133
   89   HG22  VAL  11          1HG2      VAL  11   6.975  -4.825   2.176
   90   HG23  VAL  11          2HG2      VAL  11   7.952  -4.936   3.643
   91    H    ABA  12           H        ABA  12   7.383  -5.034  -0.535
   92    HA   ABA  12           HA       ABA  12   5.245  -3.340  -1.479
   93    HB3  ABA  12           1HB      ABA  12   4.413  -5.437  -2.542
   94    HB2  ABA  12           2HB      ABA  12   5.743  -6.312  -1.796
   95    HG1  ABA  12           3HG      ABA  12   6.242  -5.828  -4.105
   96    HG3  ABA  12           1HG      ABA  12   7.340  -4.940  -3.046
   97    HG2  ABA  12           2HG      ABA  12   5.996  -4.105  -3.820
   98    H    ARG  13           H        ARG  13   3.920  -2.770   0.055
   99    HA   ARG  13           HA       ARG  13   2.979  -4.795   1.965
  100    HB2  ARG  13           2HB      ARG  13   4.347  -2.645   2.689
  101    HB3  ARG  13           1HB      ARG  13   2.825  -1.822   2.421
  102    HG2  ARG  13           2HG      ARG  13   3.217  -4.105   4.354
  103    HG3  ARG  13           1HG      ARG  13   3.316  -2.409   4.797
  104    HD2  ARG  13           2HD      ARG  13   0.975  -2.120   4.126
  105    HD3  ARG  13           1HD      ARG  13   0.883  -3.828   3.704
  106    HE   ARG  13           HE       ARG  13   1.807  -3.603   6.327
  107   HH11  ARG  13          1HH1      ARG  13  -1.230  -3.147   4.511
  108   HH12  ARG  13          2HH1      ARG  13  -2.205  -3.369   5.881
  109   HH21  ARG  13          1HH2      ARG  13   0.383  -3.990   8.168
  110   HH22  ARG  13          2HH2      ARG  13  -1.307  -3.862   7.939
  111    H    ABA  14           H        ABA  14   0.856  -5.171   1.915
  112    HA   ABA  14           HA       ABA  14  -0.722  -4.007  -0.184
  113    HB3  ABA  14           1HB      ABA  14  -1.412  -6.024   1.943
  114    HB2  ABA  14           2HB      ABA  14  -0.778  -6.422   0.354
  115    HG1  ABA  14           3HG      ABA  14  -3.391  -5.100   0.950
  116    HG3  ABA  14           1HG      ABA  14  -3.164  -6.775   0.448
  117    HG2  ABA  14           2HG      ABA  14  -2.780  -5.464  -0.668
  118    H    VAL  15           H        VAL  15  -1.817  -2.195   0.065
  119    HA   VAL  15           HA       VAL  15  -2.623  -1.434   2.766
  120    HB   VAL  15           HB       VAL  15  -2.230   0.324   0.317
  121   HG11  VAL  15          1HG1      VAL  15  -3.995   1.177   1.819
  122   HG12  VAL  15          2HG1      VAL  15  -2.575   2.216   1.813
  123   HG13  VAL  15          3HG1      VAL  15  -2.861   1.124   3.167
  124   HG21  VAL  15          3HG2      VAL  15  -0.604   0.081   2.842
  125   HG22  VAL  15          1HG2      VAL  15  -0.308   1.227   1.536
  126   HG23  VAL  15          2HG2      VAL  15  -0.129  -0.509   1.251
  127    H    CYS  16           H        CYS  16  -4.681  -1.615   3.179
  128    HA   CYS  16           HA       CYS  16  -6.543  -1.932   0.951
  129    HB2  CYS  16           2HB      CYS  16  -6.920  -2.570   3.870
  130    HB3  CYS  16           1HB      CYS  16  -8.053  -2.944   2.572
  131    H    ARG  17           H        ARG  17  -7.673  -0.441   0.255
  132    HA   ARG  17           HA       ARG  17  -8.352   1.795   2.032
  133    HB2  ARG  17           2HB      ARG  17  -8.027   1.766  -0.986
  134    HB3  ARG  17           1HB      ARG  17  -8.420   3.165  -0.002
  135    HG2  ARG  17           2HG      ARG  17  -5.823   1.630   0.109
  136    HG3  ARG  17           1HG      ARG  17  -6.067   3.160  -0.731
  137    HD2  ARG  17           2HD      ARG  17  -6.386   2.699   2.233
  138    HD3  ARG  17           1HD      ARG  17  -5.008   3.485   1.457
  139    HE   ARG  17           HE       ARG  17  -6.987   4.975   0.577
  140   HH11  ARG  17          1HH1      ARG  17  -6.310   3.866   3.885
  141   HH12  ARG  17          2HH1      ARG  17  -7.114   5.159   4.625
  142   HH21  ARG  17          1HH2      ARG  17  -8.064   6.765   1.606
  143   HH22  ARG  17          2HH2      ARG  17  -8.139   6.851   3.307
  144    H    ARG  18           H        ARG  18 -10.352   1.400   2.647
  145    HA   ARG  18           HA       ARG  18 -12.523   0.922   2.729
  146    HB2  ARG  18           2HB      ARG  18 -12.521   2.869   1.116
  147    HB3  ARG  18           1HB      ARG  18 -12.574   1.711  -0.197
  148    HG2  ARG  18           2HG      ARG  18 -14.736   0.923   0.533
  149    HG3  ARG  18           1HG      ARG  18 -14.665   1.985   1.941
  150    HD2  ARG  18           2HD      ARG  18 -14.655   2.898  -0.932
  151    HD3  ARG  18           1HD      ARG  18 -16.063   2.902   0.126
  152    HE   ARG  18           HE       ARG  18 -14.166   4.310   1.479
  153   HH11  ARG  18          1HH1      ARG  18 -15.692   4.629  -1.711
  154   HH12  ARG  18          2HH1      ARG  18 -15.576   6.313  -1.754
  155   HH21  ARG  18          1HH2      ARG  18 -14.012   6.626   1.420
  156   HH22  ARG  18          2HH2      ARG  18 -14.574   7.491   0.068
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -11.666  -2.550   1.037
    2    HA2  GLY   1           2HA      GLY   1 -11.691  -4.754   0.218
    3    HA3  GLY   1           1HA      GLY   1 -12.907  -4.279  -0.967
    4    H    VAL   2           H        VAL   2 -10.781  -1.840  -0.964
    5    HA   VAL   2           HA       VAL   2  -9.433  -2.862  -3.327
    6    HB   VAL   2           HB       VAL   2  -9.573  -0.033  -2.232
    7   HG11  VAL   2          1HG1      VAL   2  -8.588  -1.046  -4.901
    8   HG12  VAL   2          2HG1      VAL   2  -7.597  -0.377  -3.604
    9   HG13  VAL   2          3HG1      VAL   2  -8.754   0.651  -4.446
   10   HG21  VAL   2          3HG2      VAL   2 -11.778  -0.812  -2.936
   11   HG22  VAL   2          1HG2      VAL   2 -11.122  -1.288  -4.499
   12   HG23  VAL   2          2HG2      VAL   2 -11.169   0.414  -4.047
   13    H    CYS   3           H        CYS   3  -7.617  -3.864  -2.858
   14    HA   CYS   3           HA       CYS   3  -5.930  -2.983  -0.674
   15    HB2  CYS   3           2HB      CYS   3  -5.798  -5.386  -2.498
   16    HB3  CYS   3           1HB      CYS   3  -4.617  -5.022  -1.246
   17    H    ARG   4           H        ARG   4  -4.570  -1.460  -1.049
   18    HA   ARG   4           HA       ARG   4  -3.295  -1.362  -3.678
   19    HB2  ARG   4           2HB      ARG   4  -4.646   0.647  -3.036
   20    HB3  ARG   4           1HB      ARG   4  -3.577   0.873  -1.657
   21    HG2  ARG   4           2HG      ARG   4  -1.687   1.182  -3.191
   22    HG3  ARG   4           1HG      ARG   4  -2.776   0.976  -4.562
   23    HD2  ARG   4           2HD      ARG   4  -4.070   2.914  -3.814
   24    HD3  ARG   4           1HD      ARG   4  -2.960   3.131  -2.464
   25    HE   ARG   4           HE       ARG   4  -1.882   3.174  -5.172
   26   HH11  ARG   4          1HH1      ARG   4  -2.647   4.951  -2.214
   27   HH12  ARG   4          2HH1      ARG   4  -1.962   6.416  -2.713
   28   HH21  ARG   4          1HH2      ARG   4  -0.865   5.176  -5.872
   29   HH22  ARG   4          2HH2      ARG   4  -0.906   6.537  -4.856
   30    H    ABA   5           H        ABA   5  -1.257  -1.885  -3.689
   31    HA   ABA   5           HA       ABA   5   0.137  -2.106  -1.135
   32    HB3  ABA   5           1HB      ABA   5   0.712  -3.484  -3.769
   33    HB2  ABA   5           2HB      ABA   5  -0.144  -4.215  -2.418
   34    HG1  ABA   5           3HG      ABA   5   1.860  -4.024  -1.038
   35    HG3  ABA   5           1HG      ABA   5   2.725  -3.305  -2.396
   36    HG2  ABA   5           2HG      ABA   5   2.157  -4.973  -2.495
   37    H    VAL   6           H        VAL   6   1.036  -0.186  -0.873
   38    HA   VAL   6           HA       VAL   6   2.505   0.937  -3.100
   39    HB   VAL   6           HB       VAL   6   2.824   2.977  -1.594
   40   HG11  VAL   6          1HG1      VAL   6   0.544   3.808  -1.947
   41   HG12  VAL   6          2HG1      VAL   6  -0.004   2.160  -2.235
   42   HG13  VAL   6          3HG1      VAL   6   1.133   2.915  -3.352
   43   HG21  VAL   6          3HG2      VAL   6   0.790   1.521   0.109
   44   HG22  VAL   6          1HG2      VAL   6   1.226   3.223   0.283
   45   HG23  VAL   6          2HG2      VAL   6   2.433   1.979   0.574
   46    H    ABA   7           H        ABA   7   4.447   0.313  -3.359
   47    HA   ABA   7           HA       ABA   7   5.875  -0.956  -1.246
   48    HB3  ABA   7           1HB      ABA   7   7.420  -1.490  -3.045
   49    HB2  ABA   7           2HB      ABA   7   6.486  -0.500  -4.157
   50    HG1  ABA   7           3HG      ABA   7   6.001  -2.884  -4.434
   51    HG3  ABA   7           1HG      ABA   7   4.580  -1.967  -3.919
   52    HG2  ABA   7           2HG      ABA   7   5.460  -2.946  -2.753
   53    H    ARG   8           H        ARG   8   7.681  -0.186  -0.357
   54    HA   ARG   8           HA       ARG   8   8.703   2.346  -1.386
   55    HB2  ARG   8           2HB      ARG   8   7.576   2.437   0.925
   56    HB3  ARG   8           1HB      ARG   8   8.932   1.486   1.505
   57    HG2  ARG   8           2HG      ARG   8   9.453   3.726   2.014
   58    HG3  ARG   8           1HG      ARG   8  10.437   3.314   0.616
   59    HD2  ARG   8           2HD      ARG   8   7.884   4.948   0.632
   60    HD3  ARG   8           1HD      ARG   8   9.507   5.539   0.305
   61    HE   ARG   8           HE       ARG   8   7.747   4.057  -1.470
   62   HH11  ARG   8          1HH1      ARG   8  10.966   5.518  -1.025
   63   HH12  ARG   8          2HH1      ARG   8  11.390   5.369  -2.671
   64   HH21  ARG   8          1HH2      ARG   8   8.368   3.877  -3.731
   65   HH22  ARG   8          2HH2      ARG   8   9.898   4.428  -4.226
   66    H    ARG   9           H        ARG   9   9.750   0.759  -2.733
   67    HA   ARG   9           HA       ARG   9  11.475  -0.399  -3.504
   68    HB2  ARG   9           2HB      ARG   9  12.640   1.701  -2.724
   69    HB3  ARG   9           1HB      ARG   9  13.105   0.824  -1.271
   70    HG2  ARG   9           2HG      ARG   9  14.252  -0.845  -2.698
   71    HG3  ARG   9           1HG      ARG   9  13.867   0.146  -4.106
   72    HD2  ARG   9           2HD      ARG   9  15.086   2.028  -2.963
   73    HD3  ARG   9           1HD      ARG   9  15.612   0.843  -1.766
   74    HE   ARG   9           HE       ARG   9  16.120   0.216  -4.535
   75   HH11  ARG   9          1HH1      ARG   9  17.448   1.285  -1.453
   76   HH12  ARG   9          2HH1      ARG   9  19.068   1.261  -1.940
   77   HH21  ARG   9          1HH2      ARG   9  18.311   0.146  -5.261
   78   HH22  ARG   9          2HH2      ARG   9  19.582   0.612  -4.222
   79    H    GLY  10           H        GLY  10  10.293  -2.274  -2.725
   80    HA2  GLY  10           2HA      GLY  10  10.859  -4.494  -2.174
   81    HA3  GLY  10           1HA      GLY  10  12.032  -3.886  -1.010
   82    H    VAL  11           H        VAL  11  10.427  -2.065   0.292
   83    HA   VAL  11           HA       VAL  11   8.978  -3.845   2.022
   84    HB   VAL  11           HB       VAL  11   9.272  -0.830   2.162
   85   HG11  VAL  11          1HG1      VAL  11   8.582  -1.053   4.502
   86   HG12  VAL  11          2HG1      VAL  11   8.335  -2.782   4.267
   87   HG13  VAL  11          3HG1      VAL  11   7.322  -1.625   3.409
   88   HG21  VAL  11          3HG2      VAL  11  10.801  -3.019   3.564
   89   HG22  VAL  11          1HG2      VAL  11  10.959  -1.295   3.894
   90   HG23  VAL  11          2HG2      VAL  11  11.421  -1.936   2.319
   91    H    ABA  12           H        ABA  12   7.109  -4.517   1.264
   92    HA   ABA  12           HA       ABA  12   5.381  -2.833  -0.315
   93    HB3  ABA  12           1HB      ABA  12   3.936  -4.827  -0.420
   94    HB2  ABA  12           2HB      ABA  12   4.975  -5.640   0.740
   95    HG1  ABA  12           3HG      ABA  12   5.423  -6.423  -1.499
   96    HG3  ABA  12           1HG      ABA  12   6.823  -5.568  -0.862
   97    HG2  ABA  12           2HG      ABA  12   5.769  -4.784  -2.037
   98    H    ARG  13           H        ARG  13   3.972  -1.435   0.637
   99    HA   ARG  13           HA       ARG  13   2.899  -2.181   3.251
  100    HB2  ARG  13           2HB      ARG  13   3.954   0.059   3.115
  101    HB3  ARG  13           1HB      ARG  13   2.833   0.502   1.831
  102    HG2  ARG  13           2HG      ARG  13   0.962   0.136   3.426
  103    HG3  ARG  13           1HG      ARG  13   2.162  -0.140   4.688
  104    HD2  ARG  13           2HD      ARG  13   3.037   2.129   4.314
  105    HD3  ARG  13           1HD      ARG  13   1.780   2.396   3.102
  106    HE   ARG  13           HE       ARG  13   0.943   1.579   5.755
  107   HH11  ARG  13          1HH1      ARG  13   1.203   4.245   3.419
  108   HH12  ARG  13          2HH1      ARG  13   0.132   5.246   4.277
  109   HH21  ARG  13          1HH2      ARG  13  -0.557   3.004   6.880
  110   HH22  ARG  13          2HH2      ARG  13  -0.890   4.545   6.237
  111    H    ABA  14           H        ABA  14   1.279  -3.543   2.740
  112    HA   ABA  14           HA       ABA  14  -0.558  -2.855   0.605
  113    HB3  ABA  14           1HB      ABA  14  -0.400  -5.289   2.394
  114    HB2  ABA  14           2HB      ABA  14   0.247  -5.174   0.762
  115    HG1  ABA  14           3HG      ABA  14  -2.659  -4.992   1.509
  116    HG3  ABA  14           1HG      ABA  14  -1.852  -6.391   0.797
  117    HG2  ABA  14           2HG      ABA  14  -2.004  -4.889  -0.121
  118    H    VAL  15           H        VAL  15  -2.139  -1.542   1.077
  119    HA   VAL  15           HA       VAL  15  -3.452  -1.879   3.661
  120    HB   VAL  15           HB       VAL  15  -2.314   0.294   3.595
  121   HG11  VAL  15          1HG1      VAL  15  -2.183   0.692   1.222
  122   HG12  VAL  15          2HG1      VAL  15  -2.940   2.070   2.024
  123   HG13  VAL  15          3HG1      VAL  15  -3.931   0.915   1.135
  124   HG21  VAL  15          3HG2      VAL  15  -5.309   0.581   3.373
  125   HG22  VAL  15          1HG2      VAL  15  -4.225   1.794   4.058
  126   HG23  VAL  15          2HG2      VAL  15  -4.389   0.217   4.829
  127    H    CYS  16           H        CYS  16  -5.497  -2.532   3.559
  128    HA   CYS  16           HA       CYS  16  -6.843  -2.322   0.963
  129    HB2  CYS  16           2HB      CYS  16  -7.318  -4.322   3.183
  130    HB3  CYS  16           1HB      CYS  16  -8.126  -4.291   1.623
  131    H    ARG  17           H        ARG  17  -8.428  -0.937   0.897
  132    HA   ARG  17           HA       ARG  17 -10.173  -0.660   3.209
  133    HB2  ARG  17           2HB      ARG  17  -8.910   1.649   1.701
  134    HB3  ARG  17           1HB      ARG  17 -10.314   1.829   2.746
  135    HG2  ARG  17           2HG      ARG  17  -9.000   1.067   4.652
  136    HG3  ARG  17           1HG      ARG  17  -7.604   0.844   3.606
  137    HD2  ARG  17           2HD      ARG  17  -7.522   3.217   3.149
  138    HD3  ARG  17           1HD      ARG  17  -8.993   3.475   4.095
  139    HE   ARG  17           HE       ARG  17  -7.394   2.265   5.856
  140   HH11  ARG  17          1HH1      ARG  17  -6.737   5.067   3.762
  141   HH12  ARG  17          2HH1      ARG  17  -5.725   5.820   4.908
  142   HH21  ARG  17          1HH2      ARG  17  -6.028   3.307   7.371
  143   HH22  ARG  17          2HH2      ARG  17  -5.325   4.821   7.016
  144    H    ARG  18           H        ARG  18 -12.281  -0.628   2.654
  145    HA   ARG  18           HA       ARG  18 -14.180  -0.730   1.442
  146    HB2  ARG  18           2HB      ARG  18 -13.544   1.478   0.549
  147    HB3  ARG  18           1HB      ARG  18 -12.533   0.722  -0.658
  148    HG2  ARG  18           2HG      ARG  18 -14.560   1.603  -1.660
  149    HG3  ARG  18           1HG      ARG  18 -14.540  -0.150  -1.779
  150    HD2  ARG  18           2HD      ARG  18 -16.009   1.308   0.414
  151    HD3  ARG  18           1HD      ARG  18 -16.751   0.952  -1.141
  152    HE   ARG  18           HE       ARG  18 -15.765  -1.423  -0.288
  153   HH11  ARG  18          1HH1      ARG  18 -18.017   0.938   1.089
  154   HH12  ARG  18          2HH1      ARG  18 -18.943  -0.216   1.939
  155   HH21  ARG  18          1HH2      ARG  18 -17.065  -3.015   0.862
  156   HH22  ARG  18          2HH2      ARG  18 -18.397  -2.516   1.792
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1 -11.616  -1.449   1.099
    2    HA2  GLY   1           2HA      GLY   1 -12.059  -3.677   0.651
    3    HA3  GLY   1           1HA      GLY   1 -13.193  -3.177  -0.605
    4    H    VAL   2           H        VAL   2 -10.412  -1.442  -0.989
    5    HA   VAL   2           HA       VAL   2  -9.462  -3.241  -3.090
    6    HB   VAL   2           HB       VAL   2  -8.859  -0.296  -2.668
    7   HG11  VAL   2          1HG1      VAL   2  -8.383  -2.076  -5.059
    8   HG12  VAL   2          2HG1      VAL   2  -7.153  -1.459  -3.957
    9   HG13  VAL   2          3HG1      VAL   2  -8.053  -0.345  -4.989
   10   HG21  VAL   2          3HG2      VAL   2 -10.420   0.146  -4.522
   11   HG22  VAL   2          1HG2      VAL   2 -11.231  -0.573  -3.129
   12   HG23  VAL   2          2HG2      VAL   2 -10.860  -1.564  -4.537
   13    H    CYS   3           H        CYS   3  -7.625  -4.287  -2.671
   14    HA   CYS   3           HA       CYS   3  -6.043  -3.385  -0.407
   15    HB2  CYS   3           2HB      CYS   3  -5.960  -5.988  -1.936
   16    HB3  CYS   3           1HB      CYS   3  -4.973  -5.600  -0.526
   17    H    ARG   4           H        ARG   4  -4.690  -1.977  -0.799
   18    HA   ARG   4           HA       ARG   4  -3.402  -1.737  -3.402
   19    HB2  ARG   4           2HB      ARG   4  -3.406   0.117  -1.020
   20    HB3  ARG   4           1HB      ARG   4  -2.833   0.492  -2.637
   21    HG2  ARG   4           2HG      ARG   4  -5.064   0.396  -3.516
   22    HG3  ARG   4           1HG      ARG   4  -5.692  -0.177  -1.970
   23    HD2  ARG   4           2HD      ARG   4  -6.163   2.183  -2.210
   24    HD3  ARG   4           1HD      ARG   4  -4.980   1.934  -0.928
   25    HE   ARG   4           HE       ARG   4  -3.871   2.491  -3.515
   26   HH11  ARG   4          1HH1      ARG   4  -4.866   3.860  -0.428
   27   HH12  ARG   4          2HH1      ARG   4  -4.165   5.390  -0.714
   28   HH21  ARG   4          1HH2      ARG   4  -2.832   4.550  -3.878
   29   HH22  ARG   4          2HH2      ARG   4  -2.960   5.788  -2.727
   30    H    ABA   5           H        ABA   5  -1.383  -2.419  -3.601
   31    HA   ABA   5           HA       ABA   5   0.161  -2.970  -1.181
   32    HB3  ABA   5           1HB      ABA   5   0.674  -3.843  -4.035
   33    HB2  ABA   5           2HB      ABA   5  -0.163  -4.819  -2.833
   34    HG1  ABA   5           3HG      ABA   5   2.124  -5.531  -3.073
   35    HG3  ABA   5           1HG      ABA   5   1.865  -4.861  -1.464
   36    HG2  ABA   5           2HG      ABA   5   2.699  -3.908  -2.698
   37    H    VAL   6           H        VAL   6   0.987  -1.042  -0.651
   38    HA   VAL   6           HA       VAL   6   2.129   0.576  -2.735
   39    HB   VAL   6           HB       VAL   6   2.476   2.344  -1.006
   40   HG11  VAL   6          1HG1      VAL   6  -0.320   1.260  -1.210
   41   HG12  VAL   6          2HG1      VAL   6   0.465   2.362  -2.343
   42   HG13  VAL   6          3HG1      VAL   6   0.101   2.893  -0.700
   43   HG21  VAL   6          3HG2      VAL   6   2.692   0.944   0.990
   44   HG22  VAL   6          1HG2      VAL   6   1.010   0.441   0.832
   45   HG23  VAL   6          2HG2      VAL   6   1.398   2.126   1.192
   46    H    ABA   7           H        ABA   7   4.056   0.251  -3.384
   47    HA   ABA   7           HA       ABA   7   5.955  -1.068  -1.726
   48    HB3  ABA   7           1HB      ABA   7   5.832  -1.924  -3.931
   49    HB2  ABA   7           2HB      ABA   7   7.304  -0.961  -3.845
   50    HG1  ABA   7           3HG      ABA   7   6.224   0.875  -5.005
   51    HG3  ABA   7           1HG      ABA   7   4.737  -0.064  -5.113
   52    HG2  ABA   7           2HG      ABA   7   6.187  -0.607  -5.958
   53    H    ARG   8           H        ARG   8   7.107   0.037  -0.412
   54    HA   ARG   8           HA       ARG   8   8.050   2.729  -1.165
   55    HB2  ARG   8           2HB      ARG   8   7.657   1.646   1.642
   56    HB3  ARG   8           1HB      ARG   8   8.124   3.276   1.204
   57    HG2  ARG   8           2HG      ARG   8   5.447   1.988   0.701
   58    HG3  ARG   8           1HG      ARG   8   5.812   3.214   1.914
   59    HD2  ARG   8           2HD      ARG   8   6.003   3.567  -1.077
   60    HD3  ARG   8           1HD      ARG   8   4.699   4.162  -0.056
   61    HE   ARG   8           HE       ARG   8   6.920   5.255   1.037
   62   HH11  ARG   8          1HH1      ARG   8   5.641   5.219  -2.270
   63   HH12  ARG   8          2HH1      ARG   8   6.213   6.764  -2.675
   64   HH21  ARG   8          1HH2      ARG   8   7.718   7.422   0.470
   65   HH22  ARG   8          2HH2      ARG   8   7.363   8.054  -1.072
   66    H    ARG   9           H        ARG   9   9.895   1.920  -2.161
   67    HA   ARG   9           HA       ARG   9  12.028   1.252  -2.383
   68    HB2  ARG   9           2HB      ARG   9  12.375   3.071  -0.730
   69    HB3  ARG   9           1HB      ARG   9  12.156   1.920   0.573
   70    HG2  ARG   9           2HG      ARG   9  14.515   2.516   0.239
   71    HG3  ARG   9           1HG      ARG   9  14.217   0.800  -0.011
   72    HD2  ARG   9           2HD      ARG   9  15.724   1.771  -1.705
   73    HD3  ARG   9           1HD      ARG   9  14.251   1.103  -2.406
   74    HE   ARG   9           HE       ARG   9  13.798   3.789  -1.906
   75   HH11  ARG   9          1HH1      ARG   9  15.967   1.886  -3.917
   76   HH12  ARG   9          2HH1      ARG   9  15.998   2.987  -5.207
   77   HH21  ARG   9          1HH2      ARG   9  13.799   5.319  -3.688
   78   HH22  ARG   9          2HH2      ARG   9  14.714   4.976  -5.088
   79    H    GLY  10           H        GLY  10  10.624  -0.851  -2.528
   80    HA2  GLY  10           2HA      GLY  10  11.169  -3.118  -2.523
   81    HA3  GLY  10           1HA      GLY  10  12.197  -2.849  -1.123
   82    H    VAL  11           H        VAL  11  10.169  -1.427   0.363
   83    HA   VAL  11           HA       VAL  11   8.885  -3.687   1.567
   84    HB   VAL  11           HB       VAL  11   8.469  -0.744   2.168
   85   HG11  VAL  11          1HG1      VAL  11   7.925  -3.185   3.852
   86   HG12  VAL  11          2HG1      VAL  11   6.717  -2.149   3.098
   87   HG13  VAL  11          3HG1      VAL  11   7.737  -1.516   4.387
   88   HG21  VAL  11          3HG2      VAL  11  10.418  -2.681   3.408
   89   HG22  VAL  11          1HG2      VAL  11  10.119  -1.036   3.970
   90   HG23  VAL  11          2HG2      VAL  11  10.825  -1.307   2.380
   91    H    ABA  12           H        ABA  12   7.202  -4.554   0.560
   92    HA   ABA  12           HA       ABA  12   5.308  -2.838  -0.839
   93    HB3  ABA  12           1HB      ABA  12   4.410  -4.979  -1.738
   94    HB2  ABA  12           2HB      ABA  12   5.625  -5.849  -0.810
   95    HG1  ABA  12           3HG      ABA  12   6.298  -5.625  -3.126
   96    HG3  ABA  12           1HG      ABA  12   7.390  -4.733  -2.066
   97    HG2  ABA  12           2HG      ABA  12   6.173  -3.871  -3.008
   98    H    ARG  13           H        ARG  13   4.101  -1.963   0.717
   99    HA   ARG  13           HA       ARG  13   3.054  -3.655   2.832
  100    HB2  ARG  13           2HB      ARG  13   4.038  -1.571   3.529
  101    HB3  ARG  13           1HB      ARG  13   3.023  -0.668   2.422
  102    HG2  ARG  13           2HG      ARG  13   1.067  -1.173   3.711
  103    HG3  ARG  13           1HG      ARG  13   1.982  -2.264   4.755
  104    HD2  ARG  13           2HD      ARG  13   2.439   0.704   4.472
  105    HD3  ARG  13           1HD      ARG  13   1.611  -0.078   5.814
  106    HE   ARG  13           HE       ARG  13   4.024  -1.317   5.693
  107   HH11  ARG  13          1HH1      ARG  13   3.041   2.058   6.040
  108   HH12  ARG  13          2HH1      ARG  13   4.386   2.489   6.993
  109   HH21  ARG  13          1HH2      ARG  13   5.915  -0.668   6.981
  110   HH22  ARG  13          2HH2      ARG  13   6.017   0.933   7.537
  111    H    ABA  14           H        ABA  14   1.206  -4.600   2.558
  112    HA   ABA  14           HA       ABA  14  -0.676  -3.595   0.583
  113    HB3  ABA  14           1HB      ABA  14  -0.711  -6.154   2.205
  114    HB2  ABA  14           2HB      ABA  14  -0.108  -5.995   0.559
  115    HG1  ABA  14           3HG      ABA  14  -2.343  -5.417  -0.226
  116    HG3  ABA  14           1HG      ABA  14  -2.958  -5.565   1.423
  117    HG2  ABA  14           2HG      ABA  14  -2.328  -6.983   0.589
  118    H    VAL  15           H        VAL  15  -2.373  -2.483   1.113
  119    HA   VAL  15           HA       VAL  15  -3.518  -2.737   3.780
  120    HB   VAL  15           HB       VAL  15  -2.155  -0.725   3.900
  121   HG11  VAL  15          1HG1      VAL  15  -3.602   0.247   1.441
  122   HG12  VAL  15          2HG1      VAL  15  -1.922  -0.276   1.517
  123   HG13  VAL  15          3HG1      VAL  15  -2.426   1.173   2.378
  124   HG21  VAL  15          3HG2      VAL  15  -5.063   0.019   3.546
  125   HG22  VAL  15          1HG2      VAL  15  -3.864   0.967   4.422
  126   HG23  VAL  15          2HG2      VAL  15  -4.335  -0.627   5.012
  127    H    CYS  16           H        CYS  16  -5.716  -2.836   3.754
  128    HA   CYS  16           HA       CYS  16  -6.955  -2.573   1.114
  129    HB2  CYS  16           2HB      CYS  16  -7.929  -4.160   3.501
  130    HB3  CYS  16           1HB      CYS  16  -8.640  -4.151   1.887
  131    H    ARG  17           H        ARG  17  -7.912  -0.779   0.794
  132    HA   ARG  17           HA       ARG  17  -9.577   0.363   2.934
  133    HB2  ARG  17           2HB      ARG  17  -7.330   1.582   2.443
  134    HB3  ARG  17           1HB      ARG  17  -8.057   2.017   0.906
  135    HG2  ARG  17           2HG      ARG  17  -8.351   3.867   2.355
  136    HG3  ARG  17           1HG      ARG  17  -9.928   3.083   2.229
  137    HD2  ARG  17           2HD      ARG  17  -9.513   1.917   4.349
  138    HD3  ARG  17           1HD      ARG  17  -7.945   2.697   4.472
  139    HE   ARG  17           HE       ARG  17 -10.491   4.167   4.486
  140   HH11  ARG  17          1HH1      ARG  17  -7.196   3.781   5.685
  141   HH12  ARG  17          2HH1      ARG  17  -7.372   4.889   6.965
  142   HH21  ARG  17          1HH2      ARG  17 -10.732   5.729   6.252
  143   HH22  ARG  17          2HH2      ARG  17  -9.419   6.036   7.284
  144    H    ARG  18           H        ARG  18 -11.639   0.866   2.172
  145    HA   ARG  18           HA       ARG  18 -13.440   1.024   0.810
  146    HB2  ARG  18           2HB      ARG  18 -12.169   2.766  -0.448
  147    HB3  ARG  18           1HB      ARG  18 -11.392   1.521  -1.402
  148    HG2  ARG  18           2HG      ARG  18 -13.087   2.618  -2.724
  149    HG3  ARG  18           1HG      ARG  18 -13.595   0.963  -2.396
  150    HD2  ARG  18           2HD      ARG  18 -15.489   2.431  -2.124
  151    HD3  ARG  18           1HD      ARG  18 -15.003   1.817  -0.543
  152    HE   ARG  18           HE       ARG  18 -13.738   4.265  -1.130
  153   HH11  ARG  18          1HH1      ARG  18 -16.867   2.991  -0.010
  154   HH12  ARG  18          2HH1      ARG  18 -17.309   4.452   0.761
  155   HH21  ARG  18          1HH2      ARG  18 -14.344   6.195  -0.087
  156   HH22  ARG  18          2HH2      ARG  18 -15.828   6.348   0.731
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -11.914  -2.139   1.678
    2    HA2  GLY   1           2HA      GLY   1 -12.326  -4.100   0.509
    3    HA3  GLY   1           1HA      GLY   1 -13.456  -3.229  -0.517
    4    H    VAL   2           H        VAL   2 -10.712  -1.381  -0.575
    5    HA   VAL   2           HA       VAL   2  -9.784  -2.874  -2.890
    6    HB   VAL   2           HB       VAL   2 -10.656  -0.672  -3.557
    7   HG11  VAL   2          1HG1      VAL   2  -9.588   1.421  -2.904
    8   HG12  VAL   2          2HG1      VAL   2  -8.576   0.541  -1.756
    9   HG13  VAL   2          3HG1      VAL   2 -10.320   0.596  -1.528
   10   HG21  VAL   2          3HG2      VAL   2  -8.816  -1.574  -4.859
   11   HG22  VAL   2          1HG2      VAL   2  -7.658  -0.794  -3.783
   12   HG23  VAL   2          2HG2      VAL   2  -8.721   0.186  -4.795
   13    H    CYS   3           H        CYS   3  -7.834  -3.647  -2.964
   14    HA   CYS   3           HA       CYS   3  -6.010  -2.946  -0.794
   15    HB2  CYS   3           2HB      CYS   3  -6.278  -5.490  -2.376
   16    HB3  CYS   3           1HB      CYS   3  -4.980  -5.167  -1.231
   17    H    ARG   4           H        ARG   4  -4.468  -1.713  -1.377
   18    HA   ARG   4           HA       ARG   4  -3.321  -2.020  -4.063
   19    HB2  ARG   4           2HB      ARG   4  -3.465   0.471  -2.359
   20    HB3  ARG   4           1HB      ARG   4  -2.654   0.351  -3.911
   21    HG2  ARG   4           2HG      ARG   4  -4.814  -0.145  -4.977
   22    HG3  ARG   4           1HG      ARG   4  -5.607   0.051  -3.411
   23    HD2  ARG   4           2HD      ARG   4  -5.790   2.098  -4.709
   24    HD3  ARG   4           1HD      ARG   4  -4.766   2.348  -3.292
   25    HE   ARG   4           HE       ARG   4  -3.475   1.677  -5.803
   26   HH11  ARG   4          1HH1      ARG   4  -4.307   4.196  -3.468
   27   HH12  ARG   4          2HH1      ARG   4  -3.115   5.291  -4.003
   28   HH21  ARG   4          1HH2      ARG   4  -1.855   3.197  -6.558
   29   HH22  ARG   4          2HH2      ARG   4  -1.703   4.723  -5.830
   30    H    ABA   5           H        ABA   5  -1.509  -3.095  -3.848
   31    HA   ABA   5           HA       ABA   5   0.109  -2.712  -1.457
   32    HB3  ABA   5           1HB      ABA   5   0.356  -4.743  -3.685
   33    HB2  ABA   5           2HB      ABA   5  -0.447  -5.038  -2.147
   34    HG1  ABA   5           3HG      ABA   5   1.783  -5.998  -2.193
   35    HG3  ABA   5           1HG      ABA   5   1.661  -4.729  -0.974
   36    HG2  ABA   5           2HG      ABA   5   2.469  -4.404  -2.506
   37    H    VAL   6           H        VAL   6   1.593  -1.262  -1.546
   38    HA   VAL   6           HA       VAL   6   2.924  -0.836  -4.104
   39    HB   VAL   6           HB       VAL   6   1.568   1.034  -3.759
   40   HG11  VAL   6          1HG1      VAL   6   1.791   2.577  -1.790
   41   HG12  VAL   6          2HG1      VAL   6   2.886   1.414  -1.053
   42   HG13  VAL   6          3HG1      VAL   6   1.203   0.975  -1.345
   43   HG21  VAL   6          3HG2      VAL   6   3.207   2.911  -3.739
   44   HG22  VAL   6          1HG2      VAL   6   3.696   1.548  -4.748
   45   HG23  VAL   6          2HG2      VAL   6   4.428   1.774  -3.164
   46    H    ABA   7           H        ABA   7   4.933  -0.655  -4.133
   47    HA   ABA   7           HA       ABA   7   6.399  -1.580  -1.763
   48    HB3  ABA   7           1HB      ABA   7   7.328  -1.505  -4.637
   49    HB2  ABA   7           2HB      ABA   7   6.554  -2.898  -3.890
   50    HG1  ABA   7           3HG      ABA   7   8.954  -3.177  -3.974
   51    HG3  ABA   7           1HG      ABA   7   8.391  -3.080  -2.305
   52    HG2  ABA   7           2HG      ABA   7   9.176  -1.693  -3.053
   53    H    ARG   8           H        ARG   8   7.059  -0.009  -0.585
   54    HA   ARG   8           HA       ARG   8   8.438   2.254  -1.859
   55    HB2  ARG   8           2HB      ARG   8   6.881   2.132   0.722
   56    HB3  ARG   8           1HB      ARG   8   7.907   3.481   0.258
   57    HG2  ARG   8           2HG      ARG   8   6.506   3.929  -1.661
   58    HG3  ARG   8           1HG      ARG   8   5.510   2.524  -1.281
   59    HD2  ARG   8           2HD      ARG   8   4.523   4.676  -0.527
   60    HD3  ARG   8           1HD      ARG   8   4.782   3.517   0.776
   61    HE   ARG   8           HE       ARG   8   7.016   4.938   0.917
   62   HH11  ARG   8          1HH1      ARG   8   3.701   6.103   0.523
   63   HH12  ARG   8          2HH1      ARG   8   3.894   7.482   1.475
   64   HH21  ARG   8          1HH2      ARG   8   7.326   6.853   2.244
   65   HH22  ARG   8          2HH2      ARG   8   6.062   7.953   2.442
   66    H    ARG   9           H        ARG   9  10.549   1.929  -1.680
   67    HA   ARG   9           HA       ARG   9  12.581   1.469  -0.910
   68    HB2  ARG   9           2HB      ARG   9  11.939   3.142   0.847
   69    HB3  ARG   9           1HB      ARG   9  11.316   1.837   1.832
   70    HG2  ARG   9           2HG      ARG   9  13.488   2.630   2.614
   71    HG3  ARG   9           1HG      ARG   9  13.558   0.941   2.105
   72    HD2  ARG   9           2HD      ARG   9  15.522   2.121   1.315
   73    HD3  ARG   9           1HD      ARG   9  14.502   1.666  -0.047
   74    HE   ARG   9           HE       ARG   9  13.756   4.214   0.634
   75   HH11  ARG   9          1HH1      ARG   9  16.729   2.634  -0.472
   76   HH12  ARG   9          2HH1      ARG   9  17.360   4.014  -1.230
   77   HH21  ARG   9          1HH2      ARG   9  14.603   6.119  -0.391
   78   HH22  ARG   9          2HH2      ARG   9  16.124   6.074  -1.156
   79    H    GLY  10           H        GLY  10  10.875  -0.582  -1.567
   80    HA2  GLY  10           2HA      GLY  10  11.221  -2.891  -1.680
   81    HA3  GLY  10           1HA      GLY  10  12.202  -2.778  -0.219
   82    H    VAL  11           H        VAL  11   9.777  -1.128   0.823
   83    HA   VAL  11           HA       VAL  11   8.539  -3.422   2.064
   84    HB   VAL  11           HB       VAL  11   8.016  -0.476   2.554
   85   HG11  VAL  11          1HG1      VAL  11   6.201  -1.905   3.322
   86   HG12  VAL  11          2HG1      VAL  11   7.069  -1.218   4.696
   87   HG13  VAL  11          3HG1      VAL  11   7.342  -2.896   4.231
   88   HG21  VAL  11          3HG2      VAL  11   9.475  -0.699   4.519
   89   HG22  VAL  11          1HG2      VAL  11  10.347  -0.997   3.016
   90   HG23  VAL  11          2HG2      VAL  11   9.860  -2.352   4.036
   91    H    ABA  12           H        ABA  12   7.253  -4.322   0.624
   92    HA   ABA  12           HA       ABA  12   5.292  -2.780  -0.799
   93    HB3  ABA  12           1HB      ABA  12   6.114  -4.641  -2.051
   94    HB2  ABA  12           2HB      ABA  12   4.482  -5.072  -1.572
   95    HG1  ABA  12           3HG      ABA  12   5.957  -6.967  -1.355
   96    HG3  ABA  12           1HG      ABA  12   5.368  -6.468   0.227
   97    HG2  ABA  12           2HG      ABA  12   7.010  -6.060  -0.272
   98    H    ARG  13           H        ARG  13   4.047  -1.814   0.499
   99    HA   ARG  13           HA       ARG  13   2.817  -3.191   2.757
  100    HB2  ARG  13           2HB      ARG  13   3.879  -0.759   2.639
  101    HB3  ARG  13           1HB      ARG  13   2.305  -0.333   2.004
  102    HG2  ARG  13           2HG      ARG  13   2.820  -1.602   4.701
  103    HG3  ARG  13           1HG      ARG  13   2.555   0.107   4.415
  104    HD2  ARG  13           2HD      ARG  13   0.287  -0.392   3.622
  105    HD3  ARG  13           1HD      ARG  13   0.559  -2.111   3.915
  106    HE   ARG  13           HE       ARG  13   1.045  -0.417   6.182
  107   HH11  ARG  13          1HH1      ARG  13  -1.477  -2.358   4.527
  108   HH12  ARG  13          2HH1      ARG  13  -2.421  -2.510   5.910
  109   HH21  ARG  13          1HH2      ARG  13  -0.311  -0.662   8.058
  110   HH22  ARG  13          2HH2      ARG  13  -1.781  -1.516   7.958
  111    H    ABA  14           H        ABA  14   0.887  -4.058   2.490
  112    HA   ABA  14           HA       ABA  14  -0.689  -3.460   0.116
  113    HB3  ABA  14           1HB      ABA  14  -1.030  -5.577   2.258
  114    HB2  ABA  14           2HB      ABA  14  -0.237  -5.822   0.708
  115    HG1  ABA  14           3HG      ABA  14  -2.343  -5.367  -0.445
  116    HG3  ABA  14           1HG      ABA  14  -3.138  -5.139   1.111
  117    HG2  ABA  14           2HG      ABA  14  -2.488  -6.720   0.676
  118    H    VAL  15           H        VAL  15  -1.944  -1.742   0.360
  119    HA   VAL  15           HA       VAL  15  -3.142  -1.206   2.966
  120    HB   VAL  15           HB       VAL  15  -3.213   0.421   0.404
  121   HG11  VAL  15          1HG1      VAL  15  -5.128   0.898   1.799
  122   HG12  VAL  15          2HG1      VAL  15  -4.005   2.259   1.831
  123   HG13  VAL  15          3HG1      VAL  15  -4.085   1.151   3.197
  124   HG21  VAL  15          3HG2      VAL  15  -1.594   1.901   1.518
  125   HG22  VAL  15          1HG2      VAL  15  -0.951   0.273   1.306
  126   HG23  VAL  15          2HG2      VAL  15  -1.536   0.798   2.889
  127    H    CYS  16           H        CYS  16  -4.971  -2.326   3.303
  128    HA   CYS  16           HA       CYS  16  -6.892  -2.529   1.097
  129    HB2  CYS  16           2HB      CYS  16  -6.581  -4.271   3.547
  130    HB3  CYS  16           1HB      CYS  16  -7.903  -4.397   2.398
  131    H    ARG  17           H        ARG  17  -8.247  -0.938   1.260
  132    HA   ARG  17           HA       ARG  17  -9.724  -0.671   3.716
  133    HB2  ARG  17           2HB      ARG  17  -9.554   1.794   3.754
  134    HB3  ARG  17           1HB      ARG  17  -8.011   1.018   4.038
  135    HG2  ARG  17           2HG      ARG  17  -7.312   1.516   1.772
  136    HG3  ARG  17           1HG      ARG  17  -8.886   2.241   1.435
  137    HD2  ARG  17           2HD      ARG  17  -8.498   3.890   3.204
  138    HD3  ARG  17           1HD      ARG  17  -6.931   3.164   3.527
  139    HE   ARG  17           HE       ARG  17  -6.235   3.855   1.325
  140   HH11  ARG  17          1HH1      ARG  17  -9.181   5.408   2.558
  141   HH12  ARG  17          2HH1      ARG  17  -9.010   6.811   1.635
  142   HH21  ARG  17          1HH2      ARG  17  -5.957   5.815   0.092
  143   HH22  ARG  17          2HH2      ARG  17  -7.110   7.063   0.189
  144    H    ARG  18           H        ARG  18 -11.781  -0.131   3.410
  145    HA   ARG  18           HA       ARG  18 -13.766  -0.040   2.379
  146    HB2  ARG  18           2HB      ARG  18 -12.936   2.296   1.909
  147    HB3  ARG  18           1HB      ARG  18 -12.324   1.734   0.368
  148    HG2  ARG  18           2HG      ARG  18 -14.419   2.950   0.099
  149    HG3  ARG  18           1HG      ARG  18 -14.605   1.264  -0.371
  150    HD2  ARG  18           2HD      ARG  18 -15.670   0.778   1.787
  151    HD3  ARG  18           1HD      ARG  18 -15.459   2.461   2.275
  152    HE   ARG  18           HE       ARG  18 -16.799   2.702  -0.014
  153   HH11  ARG  18          1HH1      ARG  18 -17.502   0.716   2.841
  154   HH12  ARG  18          2HH1      ARG  18 -19.186   0.701   2.568
  155   HH21  ARG  18          1HH2      ARG  18 -19.094   2.672  -0.352
  156   HH22  ARG  18          2HH2      ARG  18 -20.107   1.858   0.749
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -11.758  -2.299   1.669
    2    HA2  GLY   1           2HA      GLY   1 -12.372  -4.288   0.564
    3    HA3  GLY   1           1HA      GLY   1 -13.509  -3.361  -0.401
    4    H    VAL   2           H        VAL   2 -11.054  -1.354  -0.692
    5    HA   VAL   2           HA       VAL   2 -10.063  -2.902  -2.956
    6    HB   VAL   2           HB       VAL   2 -11.121  -0.783  -3.640
    7   HG11  VAL   2          1HG1      VAL   2  -9.003   0.602  -2.020
    8   HG12  VAL   2          2HG1      VAL   2 -10.737   0.584  -1.699
    9   HG13  VAL   2          3HG1      VAL   2 -10.115   1.388  -3.139
   10   HG21  VAL   2          3HG2      VAL   2  -8.136  -0.780  -4.082
   11   HG22  VAL   2          1HG2      VAL   2  -9.307   0.133  -5.036
   12   HG23  VAL   2          2HG2      VAL   2  -9.341  -1.629  -5.047
   13    H    CYS   3           H        CYS   3  -8.017  -3.394  -3.187
   14    HA   CYS   3           HA       CYS   3  -6.245  -2.665  -0.972
   15    HB2  CYS   3           2HB      CYS   3  -6.262  -5.144  -2.693
   16    HB3  CYS   3           1HB      CYS   3  -5.085  -4.786  -1.434
   17    H    ARG   4           H        ARG   4  -4.325  -1.856  -1.390
   18    HA   ARG   4           HA       ARG   4  -3.323  -1.863  -4.141
   19    HB2  ARG   4           2HB      ARG   4  -4.307   0.358  -3.695
   20    HB3  ARG   4           1HB      ARG   4  -3.314   0.511  -2.254
   21    HG2  ARG   4           2HG      ARG   4  -1.295   0.499  -3.623
   22    HG3  ARG   4           1HG      ARG   4  -2.279   0.302  -5.068
   23    HD2  ARG   4           2HD      ARG   4  -3.362   2.456  -4.614
   24    HD3  ARG   4           1HD      ARG   4  -2.355   2.655  -3.183
   25    HE   ARG   4           HE       ARG   4  -0.508   2.329  -5.081
   26   HH11  ARG   4          1HH1      ARG   4  -3.367   4.428  -5.014
   27   HH12  ARG   4          2HH1      ARG   4  -2.691   5.609  -6.015
   28   HH21  ARG   4          1HH2      ARG   4   0.432   3.991  -6.439
   29   HH22  ARG   4          2HH2      ARG   4  -0.476   5.356  -6.846
   30    H    ABA   5           H        ABA   5  -1.406  -2.825  -4.128
   31    HA   ABA   5           HA       ABA   5   0.101  -2.912  -1.631
   32    HB3  ABA   5           1HB      ABA   5   0.510  -4.469  -4.196
   33    HB2  ABA   5           2HB      ABA   5  -0.357  -5.067  -2.784
   34    HG1  ABA   5           3HG      ABA   5   1.691  -4.935  -1.459
   35    HG3  ABA   5           1HG      ABA   5   2.569  -4.349  -2.872
   36    HG2  ABA   5           2HG      ABA   5   1.890  -5.979  -2.864
   37    H    VAL   6           H        VAL   6   1.400  -1.302  -1.382
   38    HA   VAL   6           HA       VAL   6   2.768  -0.231  -3.742
   39    HB   VAL   6           HB       VAL   6   3.308   1.749  -2.379
   40   HG11  VAL   6          1HG1      VAL   6   1.271   1.751  -3.711
   41   HG12  VAL   6          2HG1      VAL   6   1.052   2.691  -2.240
   42   HG13  VAL   6          3HG1      VAL   6   0.374   1.064  -2.357
   43   HG21  VAL   6          3HG2      VAL   6   2.261   2.090  -0.172
   44   HG22  VAL   6          1HG2      VAL   6   3.371   0.721  -0.160
   45   HG23  VAL   6          2HG2      VAL   6   1.627   0.450  -0.227
   46    H    ABA   7           H        ABA   7   5.054   0.209  -3.570
   47    HA   ABA   7           HA       ABA   7   6.343  -1.356  -1.483
   48    HB3  ABA   7           1HB      ABA   7   7.152  -1.402  -4.397
   49    HB2  ABA   7           2HB      ABA   7   6.215  -2.670  -3.615
   50    HG1  ABA   7           3HG      ABA   7   9.001  -1.841  -2.846
   51    HG3  ABA   7           1HG      ABA   7   8.569  -3.271  -3.787
   52    HG2  ABA   7           2HG      ABA   7   8.056  -3.127  -2.106
   53    H    ARG   8           H        ARG   8   7.096   0.264  -0.375
   54    HA   ARG   8           HA       ARG   8   8.412   2.484  -1.742
   55    HB2  ARG   8           2HB      ARG   8   7.601   2.179   1.151
   56    HB3  ARG   8           1HB      ARG   8   8.363   3.603   0.469
   57    HG2  ARG   8           2HG      ARG   8   6.410   3.843  -1.051
   58    HG3  ARG   8           1HG      ARG   8   5.643   2.500  -0.201
   59    HD2  ARG   8           2HD      ARG   8   4.832   4.601   0.690
   60    HD3  ARG   8           1HD      ARG   8   5.804   3.770   1.903
   61    HE   ARG   8           HE       ARG   8   7.390   5.548   0.390
   62   HH11  ARG   8          1HH1      ARG   8   5.048   5.481   3.040
   63   HH12  ARG   8          2HH1      ARG   8   5.503   6.971   3.702
   64   HH21  ARG   8          1HH2      ARG   8   8.068   7.619   1.338
   65   HH22  ARG   8          2HH2      ARG   8   7.279   8.204   2.729
   66    H    ARG   9           H        ARG   9  10.304   1.602  -2.303
   67    HA   ARG   9           HA       ARG   9  12.455   0.939  -2.187
   68    HB2  ARG   9           2HB      ARG   9  12.593   3.068  -0.839
   69    HB3  ARG   9           1HB      ARG   9  12.364   2.112   0.616
   70    HG2  ARG   9           2HG      ARG   9  14.470   0.942   0.191
   71    HG3  ARG   9           1HG      ARG   9  14.694   1.883  -1.280
   72    HD2  ARG   9           2HD      ARG   9  16.028   2.778   0.547
   73    HD3  ARG   9           1HD      ARG   9  14.804   3.939   0.036
   74    HE   ARG   9           HE       ARG   9  13.518   2.948   2.028
   75   HH11  ARG   9          1HH1      ARG   9  17.040   3.462   1.961
   76   HH12  ARG   9          2HH1      ARG   9  17.188   3.677   3.639
   77   HH21  ARG   9          1HH2      ARG   9  13.722   3.300   4.338
   78   HH22  ARG   9          2HH2      ARG   9  15.233   3.590   5.040
   79    H    GLY  10           H        GLY  10  10.958  -1.124  -1.987
   80    HA2  GLY  10           2HA      GLY  10  11.425  -3.367  -1.516
   81    HA3  GLY  10           1HA      GLY  10  12.417  -2.856  -0.160
   82    H    VAL  11           H        VAL  11  10.135  -1.084   0.729
   83    HA   VAL  11           HA       VAL  11   8.926  -3.072   2.413
   84    HB   VAL  11           HB       VAL  11   8.467  -0.071   2.302
   85   HG11  VAL  11          1HG1      VAL  11   7.476  -0.323   4.537
   86   HG12  VAL  11          2HG1      VAL  11   7.664  -2.071   4.409
   87   HG13  VAL  11          3HG1      VAL  11   6.564  -1.222   3.323
   88   HG21  VAL  11          3HG2      VAL  11  10.179  -1.729   4.152
   89   HG22  VAL  11          1HG2      VAL  11   9.896   0.007   4.295
   90   HG23  VAL  11          2HG2      VAL  11  10.756  -0.635   2.894
   91    H    ABA  12           H        ABA  12   7.441  -4.275   1.490
   92    HA   ABA  12           HA       ABA  12   5.529  -3.178  -0.392
   93    HB3  ABA  12           1HB      ABA  12   4.763  -5.522  -0.619
   94    HB2  ABA  12           2HB      ABA  12   5.889  -5.999   0.646
   95    HG1  ABA  12           3HG      ABA  12   7.761  -5.291  -0.760
   96    HG3  ABA  12           1HG      ABA  12   6.624  -4.865  -2.039
   97    HG2  ABA  12           2HG      ABA  12   6.781  -6.543  -1.522
   98    H    ARG  13           H        ARG  13   3.880  -2.181   0.428
   99    HA   ARG  13           HA       ARG  13   2.633  -3.203   2.889
  100    HB2  ARG  13           2HB      ARG  13   3.693  -0.982   3.143
  101    HB3  ARG  13           1HB      ARG  13   2.672  -0.367   1.853
  102    HG2  ARG  13           2HG      ARG  13   0.690  -0.947   3.250
  103    HG3  ARG  13           1HG      ARG  13   1.802  -1.349   4.558
  104    HD2  ARG  13           2HD      ARG  13   0.996   0.901   4.865
  105    HD3  ARG  13           1HD      ARG  13   2.707   0.945   4.449
  106    HE   ARG  13           HE       ARG  13   1.218   1.176   2.100
  107   HH11  ARG  13          1HH1      ARG  13   1.844   3.085   5.012
  108   HH12  ARG  13          2HH1      ARG  13   1.673   4.583   4.236
  109   HH21  ARG  13          1HH2      ARG  13   0.935   3.292   1.028
  110   HH22  ARG  13          2HH2      ARG  13   1.156   4.697   1.953
  111    H    ABA  14           H        ABA  14   0.867  -4.302   2.267
  112    HA   ABA  14           HA       ABA  14  -0.714  -3.335   0.028
  113    HB3  ABA  14           1HB      ABA  14  -1.070  -5.821   1.733
  114    HB2  ABA  14           2HB      ABA  14  -0.211  -5.772   0.198
  115    HG1  ABA  14           3HG      ABA  14  -3.140  -5.199   0.584
  116    HG3  ABA  14           1HG      ABA  14  -2.445  -6.675  -0.086
  117    HG2  ABA  14           2HG      ABA  14  -2.275  -5.143  -0.947
  118    H    VAL  15           H        VAL  15  -2.058  -1.818   0.466
  119    HA   VAL  15           HA       VAL  15  -3.337  -1.775   3.082
  120    HB   VAL  15           HB       VAL  15  -3.987   0.599   2.513
  121   HG11  VAL  15          1HG1      VAL  15  -1.048  -0.031   2.508
  122   HG12  VAL  15          2HG1      VAL  15  -2.082   0.110   3.930
  123   HG13  VAL  15          3HG1      VAL  15  -1.761   1.523   2.928
  124   HG21  VAL  15          3HG2      VAL  15  -2.748   1.737   0.716
  125   HG22  VAL  15          1HG2      VAL  15  -3.796   0.466   0.079
  126   HG23  VAL  15          2HG2      VAL  15  -2.060   0.194   0.221
  127    H    CYS  16           H        CYS  16  -5.259  -2.567   3.200
  128    HA   CYS  16           HA       CYS  16  -7.000  -2.374   0.871
  129    HB2  CYS  16           2HB      CYS  16  -7.129  -4.279   3.214
  130    HB3  CYS  16           1HB      CYS  16  -8.263  -4.235   1.872
  131    H    ARG  17           H        ARG  17  -8.421  -0.889   0.978
  132    HA   ARG  17           HA       ARG  17  -9.503  -0.098   3.569
  133    HB2  ARG  17           2HB      ARG  17  -7.720   1.468   2.921
  134    HB3  ARG  17           1HB      ARG  17  -8.508   1.731   1.378
  135    HG2  ARG  17           2HG      ARG  17 -10.387   2.783   2.490
  136    HG3  ARG  17           1HG      ARG  17  -9.656   2.460   4.067
  137    HD2  ARG  17           2HD      ARG  17  -9.232   4.765   3.360
  138    HD3  ARG  17           1HD      ARG  17  -7.736   3.841   3.465
  139    HE   ARG  17           HE       ARG  17  -8.875   3.821   0.841
  140   HH11  ARG  17          1HH1      ARG  17  -6.776   5.686   2.986
  141   HH12  ARG  17          2HH1      ARG  17  -5.983   6.529   1.742
  142   HH21  ARG  17          1HH2      ARG  17  -7.808   4.925  -0.868
  143   HH22  ARG  17          2HH2      ARG  17  -6.596   6.071  -0.552
  144    H    ARG  18           H        ARG  18 -11.610  -0.295   3.481
  145    HA   ARG  18           HA       ARG  18 -13.731  -0.533   2.800
  146    HB2  ARG  18           2HB      ARG  18 -13.447   1.917   2.382
  147    HB3  ARG  18           1HB      ARG  18 -12.969   1.566   0.734
  148    HG2  ARG  18           2HG      ARG  18 -15.235   2.344   0.710
  149    HG3  ARG  18           1HG      ARG  18 -15.229   0.627   0.334
  150    HD2  ARG  18           2HD      ARG  18 -15.987   1.897   2.984
  151    HD3  ARG  18           1HD      ARG  18 -17.086   1.185   1.814
  152    HE   ARG  18           HE       ARG  18 -15.374  -0.150   3.715
  153   HH11  ARG  18          1HH1      ARG  18 -17.396  -0.657   0.822
  154   HH12  ARG  18          2HH1      ARG  18 -17.805  -2.258   1.201
  155   HH21  ARG  18          1HH2      ARG  18 -15.932  -2.382   4.213
  156   HH22  ARG  18          2HH2      ARG  18 -16.952  -3.266   3.182
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1 -11.819  -1.472   0.811
    2    HA2  GLY   1           2HA      GLY   1 -13.003  -3.192  -0.300
    3    HA3  GLY   1           1HA      GLY   1 -13.498  -2.023  -1.509
    4    H    VAL   2           H        VAL   2 -10.228  -1.569  -0.926
    5    HA   VAL   2           HA       VAL   2  -9.482  -3.588  -2.864
    6    HB   VAL   2           HB       VAL   2  -9.993  -1.608  -4.202
    7   HG11  VAL   2          1HG1      VAL   2  -9.687   0.148  -2.598
    8   HG12  VAL   2          2HG1      VAL   2  -8.694   0.471  -4.021
    9   HG13  VAL   2          3HG1      VAL   2  -7.951  -0.156  -2.549
   10   HG21  VAL   2          3HG2      VAL   2  -7.856  -1.349  -5.404
   11   HG22  VAL   2          1HG2      VAL   2  -8.183  -3.035  -4.996
   12   HG23  VAL   2          2HG2      VAL   2  -7.018  -2.104  -4.052
   13    H    CYS   3           H        CYS   3  -7.533  -4.466  -2.552
   14    HA   CYS   3           HA       CYS   3  -5.943  -3.481  -0.326
   15    HB2  CYS   3           2HB      CYS   3  -5.726  -6.054  -1.910
   16    HB3  CYS   3           1HB      CYS   3  -4.785  -5.641  -0.481
   17    H    ARG   4           H        ARG   4  -4.657  -2.002  -0.729
   18    HA   ARG   4           HA       ARG   4  -3.487  -1.719  -3.381
   19    HB2  ARG   4           2HB      ARG   4  -3.617   0.153  -1.010
   20    HB3  ARG   4           1HB      ARG   4  -2.849   0.535  -2.541
   21    HG2  ARG   4           2HG      ARG   4  -5.767  -0.142  -2.246
   22    HG3  ARG   4           1HG      ARG   4  -5.125   1.501  -2.257
   23    HD2  ARG   4           2HD      ARG   4  -4.810  -0.510  -4.494
   24    HD3  ARG   4           1HD      ARG   4  -5.976   0.810  -4.467
   25    HE   ARG   4           HE       ARG   4  -3.741   2.154  -4.104
   26   HH11  ARG   4          1HH1      ARG   4  -4.320  -0.464  -6.431
   27   HH12  ARG   4          2HH1      ARG   4  -3.288   0.179  -7.609
   28   HH21  ARG   4          1HH2      ARG   4  -2.345   3.035  -5.740
   29   HH22  ARG   4          2HH2      ARG   4  -2.126   2.207  -7.213
   30    H    ABA   5           H        ABA   5  -1.604  -2.622  -3.634
   31    HA   ABA   5           HA       ABA   5   0.205  -2.991  -1.374
   32    HB3  ABA   5           1HB      ABA   5   0.443  -3.942  -4.240
   33    HB2  ABA   5           2HB      ABA   5  -0.220  -4.898  -2.921
   34    HG1  ABA   5           3HG      ABA   5   2.089  -5.520  -3.434
   35    HG3  ABA   5           1HG      ABA   5   1.942  -4.873  -1.797
   36    HG2  ABA   5           2HG      ABA   5   2.605  -3.870  -3.081
   37    H    VAL   6           H        VAL   6   1.089  -1.079  -0.964
   38    HA   VAL   6           HA       VAL   6   2.202   0.498  -3.162
   39    HB   VAL   6           HB       VAL   6   2.386   1.098  -0.241
   40   HG11  VAL   6          1HG1      VAL   6   2.525   3.447  -0.948
   41   HG12  VAL   6          2HG1      VAL   6   2.434   2.918  -2.625
   42   HG13  VAL   6          3HG1      VAL   6   3.806   2.440  -1.627
   43   HG21  VAL   6          3HG2      VAL   6   0.013   0.776  -0.639
   44   HG22  VAL   6          1HG2      VAL   6   0.068   1.863  -2.027
   45   HG23  VAL   6          2HG2      VAL   6   0.335   2.493  -0.397
   46    H    ABA   7           H        ABA   7   4.355   0.616  -3.392
   47    HA   ABA   7           HA       ABA   7   5.938  -1.078  -1.597
   48    HB3  ABA   7           1HB      ABA   7   6.474  -0.596  -4.535
   49    HB2  ABA   7           2HB      ABA   7   5.721  -2.044  -3.873
   50    HG1  ABA   7           3HG      ABA   7   8.504  -1.084  -3.270
   51    HG3  ABA   7           1HG      ABA   7   8.083  -2.416  -4.348
   52    HG2  ABA   7           2HG      ABA   7   7.750  -2.539  -2.620
   53    H    ARG   8           H        ARG   8   6.881   0.249  -0.297
   54    HA   ARG   8           HA       ARG   8   8.044   2.690  -1.390
   55    HB2  ARG   8           2HB      ARG   8   7.521   1.956   1.492
   56    HB3  ARG   8           1HB      ARG   8   8.298   3.441   0.970
   57    HG2  ARG   8           2HG      ARG   8   5.451   2.593   0.436
   58    HG3  ARG   8           1HG      ARG   8   5.992   3.898   1.488
   59    HD2  ARG   8           2HD      ARG   8   6.198   3.760  -1.522
   60    HD3  ARG   8           1HD      ARG   8   5.179   4.836  -0.582
   61    HE   ARG   8           HE       ARG   8   8.096   4.994  -0.329
   62   HH11  ARG   8          1HH1      ARG   8   5.060   6.577  -1.275
   63   HH12  ARG   8          2HH1      ARG   8   5.809   8.067  -1.604
   64   HH21  ARG   8          1HH2      ARG   8   9.086   7.068  -0.788
   65   HH22  ARG   8          2HH2      ARG   8   8.109   8.365  -1.315
   66    H    ARG   9           H        ARG   9   9.676   1.689  -2.392
   67    HA   ARG   9           HA       ARG   9  11.758   0.976  -2.752
   68    HB2  ARG   9           2HB      ARG   9  12.134   3.058  -1.306
   69    HB3  ARG   9           1HB      ARG   9  12.423   1.956   0.030
   70    HG2  ARG   9           2HG      ARG   9  14.518   2.696  -0.924
   71    HG3  ARG   9           1HG      ARG   9  14.299   0.968  -1.228
   72    HD2  ARG   9           2HD      ARG   9  13.573   1.415  -3.489
   73    HD3  ARG   9           1HD      ARG   9  13.644   3.155  -3.201
   74    HE   ARG   9           HE       ARG   9  16.141   2.296  -2.667
   75   HH11  ARG   9          1HH1      ARG   9  13.978   1.896  -5.465
   76   HH12  ARG   9          2HH1      ARG   9  15.225   1.889  -6.616
   77   HH21  ARG   9          1HH2      ARG   9  17.869   2.281  -4.283
   78   HH22  ARG   9          2HH2      ARG   9  17.475   2.093  -5.927
   79    H    GLY  10           H        GLY  10  10.450  -1.100  -2.400
   80    HA2  GLY  10           2HA      GLY  10  11.102  -3.346  -2.030
   81    HA3  GLY  10           1HA      GLY  10  12.072  -2.807  -0.664
   82    H    VAL  11           H        VAL  11   9.990  -1.192   0.486
   83    HA   VAL  11           HA       VAL  11   8.709  -3.202   2.045
   84    HB   VAL  11           HB       VAL  11   8.249  -0.208   2.027
   85   HG11  VAL  11          1HG1      VAL  11   7.315  -0.541   4.269
   86   HG12  VAL  11          2HG1      VAL  11   7.519  -2.285   4.082
   87   HG13  VAL  11          3HG1      VAL  11   6.394  -1.412   3.041
   88   HG21  VAL  11          3HG2      VAL  11  10.010  -1.894   3.804
   89   HG22  VAL  11          1HG2      VAL  11   9.725  -0.162   3.969
   90   HG23  VAL  11          2HG2      VAL  11  10.564  -0.786   2.547
   91    H    ABA  12           H        ABA  12   7.278  -4.346   0.910
   92    HA   ABA  12           HA       ABA  12   5.250  -3.052  -0.695
   93    HB3  ABA  12           1HB      ABA  12   4.454  -5.388  -1.110
   94    HB2  ABA  12           2HB      ABA  12   5.719  -5.961  -0.032
   95    HG1  ABA  12           3HG      ABA  12   6.165  -4.486  -2.609
   96    HG3  ABA  12           1HG      ABA  12   6.367  -6.218  -2.349
   97    HG2  ABA  12           2HG      ABA  12   7.421  -5.066  -1.517
   98    H    ARG  13           H        ARG  13   4.087  -1.924   0.677
   99    HA   ARG  13           HA       ARG  13   2.872  -3.167   3.007
  100    HB2  ARG  13           2HB      ARG  13   3.942  -0.999   3.327
  101    HB3  ARG  13           1HB      ARG  13   2.994  -0.300   2.030
  102    HG2  ARG  13           2HG      ARG  13   2.181   0.386   4.233
  103    HG3  ARG  13           1HG      ARG  13   0.970  -0.538   3.353
  104    HD2  ARG  13           2HD      ARG  13   1.039  -1.226   5.678
  105    HD3  ARG  13           1HD      ARG  13   1.575  -2.533   4.624
  106    HE   ARG  13           HE       ARG  13   3.628  -0.848   5.776
  107   HH11  ARG  13          1HH1      ARG  13   1.877  -3.919   5.842
  108   HH12  ARG  13          2HH1      ARG  13   2.901  -4.700   6.941
  109   HH21  ARG  13          1HH2      ARG  13   5.098  -1.896   7.324
  110   HH22  ARG  13          2HH2      ARG  13   4.805  -3.503   7.806
  111    H    ABA  14           H        ABA  14   1.215  -4.373   2.300
  112    HA   ABA  14           HA       ABA  14  -0.636  -3.244   0.335
  113    HB3  ABA  14           1HB      ABA  14  -0.443  -6.076   1.402
  114    HB2  ABA  14           2HB      ABA  14   0.267  -5.528  -0.111
  115    HG1  ABA  14           3HG      ABA  14  -1.797  -6.723  -0.509
  116    HG3  ABA  14           1HG      ABA  14  -1.966  -5.029  -0.974
  117    HG2  ABA  14           2HG      ABA  14  -2.673  -5.598   0.535
  118    H    VAL  15           H        VAL  15  -2.090  -2.053   1.225
  119    HA   VAL  15           HA       VAL  15  -3.272  -2.903   3.787
  120    HB   VAL  15           HB       VAL  15  -3.418  -0.124   2.589
  121   HG11  VAL  15          1HG1      VAL  15  -3.793  -1.067   5.417
  122   HG12  VAL  15          2HG1      VAL  15  -5.086  -0.690   4.290
  123   HG13  VAL  15          3HG1      VAL  15  -3.989   0.587   4.833
  124   HG21  VAL  15          3HG2      VAL  15  -1.396  -1.130   4.587
  125   HG22  VAL  15          1HG2      VAL  15  -1.622   0.556   4.116
  126   HG23  VAL  15          2HG2      VAL  15  -1.073  -0.624   2.930
  127    H    CYS  16           H        CYS  16  -5.433  -3.319   3.803
  128    HA   CYS  16           HA       CYS  16  -6.891  -3.007   1.274
  129    HB2  CYS  16           2HB      CYS  16  -7.583  -4.680   3.690
  130    HB3  CYS  16           1HB      CYS  16  -8.438  -4.670   2.152
  131    H    ARG  17           H        ARG  17  -7.805  -1.186   1.067
  132    HA   ARG  17           HA       ARG  17  -9.440  -0.175   3.284
  133    HB2  ARG  17           2HB      ARG  17  -7.647   1.492   1.506
  134    HB3  ARG  17           1HB      ARG  17  -8.789   2.115   2.682
  135    HG2  ARG  17           2HG      ARG  17  -6.256   0.583   3.217
  136    HG3  ARG  17           1HG      ARG  17  -6.562   2.288   3.543
  137    HD2  ARG  17           2HD      ARG  17  -7.893  -0.074   4.857
  138    HD3  ARG  17           1HD      ARG  17  -6.730   1.019   5.601
  139    HE   ARG  17           HE       ARG  17  -8.563   2.743   4.991
  140   HH11  ARG  17          1HH1      ARG  17  -8.961  -0.484   6.350
  141   HH12  ARG  17          2HH1      ARG  17 -10.466  -0.174   7.097
  142   HH21  ARG  17          1HH2      ARG  17 -10.630   3.217   6.007
  143   HH22  ARG  17          2HH2      ARG  17 -11.452   1.999   6.867
  144    H    ARG  18           H        ARG  18 -11.378   0.474   2.616
  145    HA   ARG  18           HA       ARG  18 -13.105   1.225   1.345
  146    HB2  ARG  18           2HB      ARG  18 -11.353   2.975   0.898
  147    HB3  ARG  18           1HB      ARG  18 -10.973   2.123  -0.580
  148    HG2  ARG  18           2HG      ARG  18 -13.096   2.679  -1.523
  149    HG3  ARG  18           1HG      ARG  18 -13.676   3.287   0.034
  150    HD2  ARG  18           2HD      ARG  18 -11.385   4.424  -1.558
  151    HD3  ARG  18           1HD      ARG  18 -12.993   5.136  -1.432
  152    HE   ARG  18           HE       ARG  18 -12.457   5.106   1.074
  153   HH11  ARG  18          1HH1      ARG  18 -10.094   5.800  -1.469
  154   HH12  ARG  18          2HH1      ARG  18  -9.080   6.729  -0.469
  155   HH21  ARG  18          1HH2      ARG  18 -11.071   6.388   2.441
  156   HH22  ARG  18          2HH2      ARG  18  -9.645   7.072   1.819
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -11.530  -0.568   1.660
    2    HA2  GLY   1           2HA      GLY   1 -12.858  -2.426   1.137
    3    HA3  GLY   1           1HA      GLY   1 -13.520  -1.540  -0.224
    4    H    VAL   2           H        VAL   2 -10.406  -0.881  -0.691
    5    HA   VAL   2           HA       VAL   2 -10.069  -3.354  -2.211
    6    HB   VAL   2           HB       VAL   2  -8.903  -2.075  -3.993
    7   HG11  VAL   2          1HG1      VAL   2 -10.896  -1.093  -5.003
    8   HG12  VAL   2          2HG1      VAL   2 -11.713  -1.151  -3.445
    9   HG13  VAL   2          3HG1      VAL   2 -11.247  -2.650  -4.254
   10   HG21  VAL   2          3HG2      VAL   2  -9.866   0.363  -2.486
   11   HG22  VAL   2          1HG2      VAL   2  -9.153   0.372  -4.098
   12   HG23  VAL   2          2HG2      VAL   2  -8.188  -0.127  -2.710
   13    H    CYS   3           H        CYS   3  -8.073  -4.222  -2.447
   14    HA   CYS   3           HA       CYS   3  -6.046  -3.232  -0.592
   15    HB2  CYS   3           2HB      CYS   3  -6.415  -5.972  -1.800
   16    HB3  CYS   3           1HB      CYS   3  -5.170  -5.525  -0.635
   17    H    ARG   4           H        ARG   4  -4.146  -2.574  -1.236
   18    HA   ARG   4           HA       ARG   4  -3.374  -2.955  -4.055
   19    HB2  ARG   4           2HB      ARG   4  -2.859  -0.467  -2.398
   20    HB3  ARG   4           1HB      ARG   4  -2.469  -0.702  -4.087
   21    HG2  ARG   4           2HG      ARG   4  -5.209  -0.369  -2.865
   22    HG3  ARG   4           1HG      ARG   4  -4.366   0.754  -3.925
   23    HD2  ARG   4           2HD      ARG   4  -5.442  -1.968  -4.630
   24    HD3  ARG   4           1HD      ARG   4  -6.051  -0.414  -5.182
   25    HE   ARG   4           HE       ARG   4  -3.869  -0.144  -6.304
   26   HH11  ARG   4          1HH1      ARG   4  -5.016  -3.418  -5.532
   27   HH12  ARG   4          2HH1      ARG   4  -4.368  -4.142  -6.916
   28   HH21  ARG   4          1HH2      ARG   4  -2.890  -1.188  -8.236
   29   HH22  ARG   4          2HH2      ARG   4  -3.161  -2.837  -8.500
   30    H    ABA   5           H        ABA   5  -1.458  -3.985  -4.138
   31    HA   ABA   5           HA       ABA   5   0.267  -4.115  -1.806
   32    HB3  ABA   5           1HB      ABA   5   0.667  -5.256  -4.594
   33    HB2  ABA   5           2HB      ABA   5  -0.089  -6.121  -3.263
   34    HG1  ABA   5           3HG      ABA   5   2.765  -5.167  -3.333
   35    HG3  ABA   5           1HG      ABA   5   2.215  -6.828  -3.569
   36    HG2  ABA   5           2HG      ABA   5   1.999  -6.035  -2.006
   37    H    VAL   6           H        VAL   6   1.086  -2.151  -1.475
   38    HA   VAL   6           HA       VAL   6   2.241  -0.737  -3.737
   39    HB   VAL   6           HB       VAL   6   2.363   1.240  -2.262
   40   HG11  VAL   6          1HG1      VAL   6   0.401   0.945  -3.623
   41   HG12  VAL   6          2HG1      VAL   6  -0.056   1.661  -2.078
   42   HG13  VAL   6          3HG1      VAL   6  -0.351  -0.053  -2.381
   43   HG21  VAL   6          3HG2      VAL   6   0.980  -0.498  -0.207
   44   HG22  VAL   6          1HG2      VAL   6   1.232   1.241  -0.062
   45   HG23  VAL   6          2HG2      VAL   6   2.615   0.145  -0.088
   46    H    ABA   7           H        ABA   7   4.360  -0.457  -4.006
   47    HA   ABA   7           HA       ABA   7   6.132  -1.596  -2.064
   48    HB3  ABA   7           1HB      ABA   7   7.800  -1.039  -3.851
   49    HB2  ABA   7           2HB      ABA   7   6.461  -0.499  -4.846
   50    HG1  ABA   7           3HG      ABA   7   6.884  -3.268  -3.795
   51    HG3  ABA   7           1HG      ABA   7   7.107  -2.738  -5.457
   52    HG2  ABA   7           2HG      ABA   7   5.485  -2.747  -4.750
   53    H    ARG   8           H        ARG   8   6.256  -0.193  -0.437
   54    HA   ARG   8           HA       ARG   8   6.828   2.587  -1.125
   55    HB2  ARG   8           2HB      ARG   8   4.696   2.422  -0.010
   56    HB3  ARG   8           1HB      ARG   8   5.399   1.452   1.276
   57    HG2  ARG   8           2HG      ARG   8   6.685   3.324   2.063
   58    HG3  ARG   8           1HG      ARG   8   6.150   4.310   0.702
   59    HD2  ARG   8           2HD      ARG   8   4.313   3.138   2.784
   60    HD3  ARG   8           1HD      ARG   8   4.941   4.789   2.822
   61    HE   ARG   8           HE       ARG   8   3.696   4.235   0.349
   62   HH11  ARG   8          1HH1      ARG   8   2.869   4.908   3.726
   63   HH12  ARG   8          2HH1      ARG   8   1.414   5.711   3.344
   64   HH21  ARG   8          1HH2      ARG   8   1.669   5.324  -0.157
   65   HH22  ARG   8          2HH2      ARG   8   0.715   5.926   1.122
   66    H    ARG   9           H        ARG   9   8.820   3.065  -0.843
   67    HA   ARG   9           HA       ARG   9  10.857   3.350   0.006
   68    HB2  ARG   9           2HB      ARG   9   9.403   3.941   2.044
   69    HB3  ARG   9           1HB      ARG   9   9.792   2.344   2.656
   70    HG2  ARG   9           2HG      ARG   9  11.204   4.026   3.680
   71    HG3  ARG   9           1HG      ARG   9  12.173   2.947   2.672
   72    HD2  ARG   9           2HD      ARG   9  12.233   4.575   0.900
   73    HD3  ARG   9           1HD      ARG   9  11.142   5.640   1.772
   74    HE   ARG   9           HE       ARG   9  13.164   5.346   3.480
   75   HH11  ARG   9          1HH1      ARG   9  13.124   6.221   0.020
   76   HH12  ARG   9          2HH1      ARG   9  14.466   7.234   0.090
   77   HH21  ARG   9          1HH2      ARG   9  15.031   6.798   3.597
   78   HH22  ARG   9          2HH2      ARG   9  15.594   7.580   2.209
   79    H    GLY  10           H        GLY  10  10.117   0.816  -1.185
   80    HA2  GLY  10           2HA      GLY  10  11.583  -0.915  -1.763
   81    HA3  GLY  10           1HA      GLY  10  12.445  -0.659  -0.256
   82    H    VAL  11           H        VAL  11   9.315  -0.750   0.714
   83    HA   VAL  11           HA       VAL  11   9.401  -3.649   0.886
   84    HB   VAL  11           HB       VAL  11   9.867  -2.687   3.106
   85   HG11  VAL  11          1HG1      VAL  11   8.758  -0.565   2.955
   86   HG12  VAL  11          2HG1      VAL  11   8.198  -1.448   4.377
   87   HG13  VAL  11          3HG1      VAL  11   7.182  -1.361   2.935
   88   HG21  VAL  11          3HG2      VAL  11   8.719  -4.810   3.062
   89   HG22  VAL  11          1HG2      VAL  11   7.157  -3.994   2.968
   90   HG23  VAL  11          2HG2      VAL  11   8.145  -3.846   4.424
   91    H    ABA  12           H        ABA  12   7.729  -4.731   0.134
   92    HA   ABA  12           HA       ABA  12   5.513  -3.187  -0.865
   93    HB3  ABA  12           1HB      ABA  12   6.370  -4.814  -2.433
   94    HB2  ABA  12           2HB      ABA  12   4.757  -5.310  -1.959
   95    HG1  ABA  12           3HG      ABA  12   6.190  -7.227  -2.108
   96    HG3  ABA  12           1HG      ABA  12   5.713  -6.960  -0.430
   97    HG2  ABA  12           2HG      ABA  12   7.330  -6.505  -0.974
   98    H    ARG  13           H        ARG  13   3.763  -2.876   0.133
   99    HA   ARG  13           HA       ARG  13   2.926  -4.724   2.267
  100    HB2  ARG  13           2HB      ARG  13   3.836  -2.644   3.227
  101    HB3  ARG  13           1HB      ARG  13   2.747  -1.701   2.224
  102    HG2  ARG  13           2HG      ARG  13   1.886  -1.767   4.471
  103    HG3  ARG  13           1HG      ARG  13   0.829  -2.708   3.422
  104    HD2  ARG  13           2HD      ARG  13   1.901  -4.768   4.200
  105    HD3  ARG  13           1HD      ARG  13   2.949  -3.819   5.252
  106    HE   ARG  13           HE       ARG  13   0.119  -3.422   5.638
  107   HH11  ARG  13          1HH1      ARG  13   3.023  -5.109   6.782
  108   HH12  ARG  13          2HH1      ARG  13   2.328  -5.650   8.227
  109   HH21  ARG  13          1HH2      ARG  13  -0.841  -4.138   7.658
  110   HH22  ARG  13          2HH2      ARG  13   0.073  -5.085   8.732
  111    H    ABA  14           H        ABA  14   0.931  -5.513   1.904
  112    HA   ABA  14           HA       ABA  14  -0.686  -4.314  -0.172
  113    HB3  ABA  14           1HB      ABA  14  -1.223  -6.786   1.493
  114    HB2  ABA  14           2HB      ABA  14  -0.414  -6.797  -0.069
  115    HG1  ABA  14           3HG      ABA  14  -2.443  -5.874  -1.104
  116    HG3  ABA  14           1HG      ABA  14  -3.250  -5.933   0.459
  117    HG2  ABA  14           2HG      ABA  14  -2.738  -7.429  -0.329
  118    H    VAL  15           H        VAL  15  -1.504  -2.532   0.510
  119    HA   VAL  15           HA       VAL  15  -2.729  -2.424   3.124
  120    HB   VAL  15           HB       VAL  15  -3.040   0.023   2.686
  121   HG11  VAL  15          1HG1      VAL  15  -0.219  -0.988   2.361
  122   HG12  VAL  15          2HG1      VAL  15  -1.077  -0.768   3.886
  123   HG13  VAL  15          3HG1      VAL  15  -0.677   0.630   2.891
  124   HG21  VAL  15          3HG2      VAL  15  -1.459  -0.540   0.166
  125   HG22  VAL  15          1HG2      VAL  15  -1.847   1.063   0.793
  126   HG23  VAL  15          2HG2      VAL  15  -3.137  -0.006   0.243
  127    H    CYS  16           H        CYS  16  -4.756  -2.603   3.437
  128    HA   CYS  16           HA       CYS  16  -6.573  -2.505   1.145
  129    HB2  CYS  16           2HB      CYS  16  -6.924  -3.861   3.831
  130    HB3  CYS  16           1HB      CYS  16  -8.089  -3.881   2.517
  131    H    ARG  17           H        ARG  17  -7.718  -0.775   0.969
  132    HA   ARG  17           HA       ARG  17  -8.842   0.459   3.289
  133    HB2  ARG  17           2HB      ARG  17  -8.029   2.720   2.723
  134    HB3  ARG  17           1HB      ARG  17  -6.726   1.652   3.202
  135    HG2  ARG  17           2HG      ARG  17  -5.979   1.432   0.934
  136    HG3  ARG  17           1HG      ARG  17  -7.412   2.263   0.327
  137    HD2  ARG  17           2HD      ARG  17  -5.493   3.751   0.323
  138    HD3  ARG  17           1HD      ARG  17  -6.693   4.315   1.476
  139    HE   ARG  17           HE       ARG  17  -4.192   2.933   2.135
  140   HH11  ARG  17          1HH1      ARG  17  -6.780   5.203   3.069
  141   HH12  ARG  17          2HH1      ARG  17  -5.936   5.759   4.448
  142   HH21  ARG  17          1HH2      ARG  17  -3.086   3.761   4.085
  143   HH22  ARG  17          2HH2      ARG  17  -3.853   4.955   5.008
  144    H    ARG  18           H        ARG  18 -10.678   1.529   2.805
  145    HA   ARG  18           HA       ARG  18 -12.504   2.265   1.675
  146    HB2  ARG  18           2HB      ARG  18 -10.733   3.680   0.502
  147    HB3  ARG  18           1HB      ARG  18 -10.717   2.476  -0.772
  148    HG2  ARG  18           2HG      ARG  18 -13.132   2.950  -1.166
  149    HG3  ARG  18           1HG      ARG  18 -13.013   4.246   0.024
  150    HD2  ARG  18           2HD      ARG  18 -11.448   4.033  -2.539
  151    HD3  ARG  18           1HD      ARG  18 -12.780   5.148  -2.217
  152    HE   ARG  18           HE       ARG  18 -11.083   5.762  -0.270
  153   HH11  ARG  18          1HH1      ARG  18 -10.653   5.482  -3.745
  154   HH12  ARG  18          2HH1      ARG  18  -9.276   6.473  -3.829
  155   HH21  ARG  18          1HH2      ARG  18  -9.210   7.141  -0.340
  156   HH22  ARG  18          2HH2      ARG  18  -8.418   7.446  -1.827
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1 -11.705  -2.055   2.036
    2    HA2  GLY   1           2HA      GLY   1 -11.844  -4.156   1.080
    3    HA3  GLY   1           1HA      GLY   1 -13.195  -3.592   0.104
    4    H    VAL   2           H        VAL   2 -10.732  -1.415  -0.175
    5    HA   VAL   2           HA       VAL   2  -9.893  -2.542  -2.735
    6    HB   VAL   2           HB       VAL   2  -9.579   0.279  -1.656
    7   HG11  VAL   2          1HG1      VAL   2  -9.097  -0.803  -4.431
    8   HG12  VAL   2          2HG1      VAL   2  -7.860  -0.304  -3.281
    9   HG13  VAL   2          3HG1      VAL   2  -8.974   0.892  -3.947
   10   HG21  VAL   2          3HG2      VAL   2 -11.539  -0.784  -3.687
   11   HG22  VAL   2          1HG2      VAL   2 -11.338   0.909  -3.241
   12   HG23  VAL   2          2HG2      VAL   2 -11.928  -0.254  -2.051
   13    H    CYS   3           H        CYS   3  -8.083  -3.675  -2.537
   14    HA   CYS   3           HA       CYS   3  -6.033  -2.776  -0.668
   15    HB2  CYS   3           2HB      CYS   3  -6.397  -5.406  -2.116
   16    HB3  CYS   3           1HB      CYS   3  -5.010  -5.008  -1.110
   17    H    ARG   4           H        ARG   4  -4.249  -1.904  -1.368
   18    HA   ARG   4           HA       ARG   4  -3.490  -2.213  -4.188
   19    HB2  ARG   4           2HB      ARG   4  -3.298   0.291  -2.490
   20    HB3  ARG   4           1HB      ARG   4  -2.627   0.120  -4.103
   21    HG2  ARG   4           2HG      ARG   4  -4.866  -0.145  -5.023
   22    HG3  ARG   4           1HG      ARG   4  -5.553  -0.036  -3.401
   23    HD2  ARG   4           2HD      ARG   4  -4.640   2.216  -3.171
   24    HD3  ARG   4           1HD      ARG   4  -3.970   2.113  -4.799
   25    HE   ARG   4           HE       ARG   4  -6.575   1.603  -5.185
   26   HH11  ARG   4          1HH1      ARG   4  -4.836   4.248  -3.605
   27   HH12  ARG   4          2HH1      ARG   4  -6.059   5.409  -3.854
   28   HH21  ARG   4          1HH2      ARG   4  -8.273   3.224  -5.568
   29   HH22  ARG   4          2HH2      ARG   4  -8.035   4.821  -5.035
   30    H    ABA   5           H        ABA   5  -1.640  -3.314  -4.201
   31    HA   ABA   5           HA       ABA   5   0.153  -3.070  -1.898
   32    HB3  ABA   5           1HB      ABA   5  -0.025  -5.276  -3.966
   33    HB2  ABA   5           2HB      ABA   5  -0.700  -5.348  -2.343
   34    HG1  ABA   5           3HG      ABA   5   2.227  -5.133  -3.020
   35    HG3  ABA   5           1HG      ABA   5   1.385  -6.584  -2.478
   36    HG2  ABA   5           2HG      ABA   5   1.546  -5.200  -1.396
   37    H    VAL   6           H        VAL   6   1.596  -1.585  -2.266
   38    HA   VAL   6           HA       VAL   6   3.127  -1.732  -4.761
   39    HB   VAL   6           HB       VAL   6   3.385   0.769  -4.742
   40   HG11  VAL   6          1HG1      VAL   6   1.170   1.311  -5.662
   41   HG12  VAL   6          2HG1      VAL   6   0.539  -0.201  -5.002
   42   HG13  VAL   6          3HG1      VAL   6   1.774  -0.235  -6.256
   43   HG21  VAL   6          3HG2      VAL   6   2.848   1.192  -2.395
   44   HG22  VAL   6          1HG2      VAL   6   1.184   0.682  -2.675
   45   HG23  VAL   6          2HG2      VAL   6   1.801   2.139  -3.452
   46    H    ABA   7           H        ABA   7   5.391  -1.329  -4.508
   47    HA   ABA   7           HA       ABA   7   6.205  -1.657  -1.803
   48    HB3  ABA   7           1HB      ABA   7   7.201  -3.149  -3.415
   49    HB2  ABA   7           2HB      ABA   7   8.404  -2.032  -2.781
   50    HG1  ABA   7           3HG      ABA   7   7.108  -1.795  -5.459
   51    HG3  ABA   7           1HG      ABA   7   8.732  -2.397  -5.143
   52    HG2  ABA   7           2HG      ABA   7   8.329  -0.715  -4.791
   53    H    ARG   8           H        ARG   8   7.004  -0.208  -0.589
   54    HA   ARG   8           HA       ARG   8   8.183   2.215  -1.702
   55    HB2  ARG   8           2HB      ARG   8   5.739   2.648  -1.169
   56    HB3  ARG   8           1HB      ARG   8   6.088   2.230   0.498
   57    HG2  ARG   8           2HG      ARG   8   6.021   4.622   0.284
   58    HG3  ARG   8           1HG      ARG   8   7.686   4.130   0.592
   59    HD2  ARG   8           2HD      ARG   8   8.185   4.333  -1.809
   60    HD3  ARG   8           1HD      ARG   8   6.515   4.800  -2.110
   61    HE   ARG   8           HE       ARG   8   7.342   6.609  -0.283
   62   HH11  ARG   8          1HH1      ARG   8   8.588   5.660  -3.460
   63   HH12  ARG   8          2HH1      ARG   8   9.290   7.158  -3.794
   64   HH21  ARG   8          1HH2      ARG   8   8.241   8.663  -0.730
   65   HH22  ARG   8          2HH2      ARG   8   9.092   8.975  -2.166
   66    H    ARG   9           H        ARG   9  10.040   2.601  -0.639
   67    HA   ARG   9           HA       ARG   9  11.758   2.443   0.771
   68    HB2  ARG   9           2HB      ARG   9  10.121   3.421   2.395
   69    HB3  ARG   9           1HB      ARG   9   9.670   1.794   2.864
   70    HG2  ARG   9           2HG      ARG   9  11.898   1.418   3.769
   71    HG3  ARG   9           1HG      ARG   9  12.390   3.024   3.233
   72    HD2  ARG   9           2HD      ARG   9  10.181   2.443   5.200
   73    HD3  ARG   9           1HD      ARG   9  11.809   2.970   5.622
   74    HE   ARG   9           HE       ARG   9  11.305   4.990   4.284
   75   HH11  ARG   9          1HH1      ARG   9   8.567   3.155   5.557
   76   HH12  ARG   9          2HH1      ARG   9   7.621   4.514   5.916
   77   HH21  ARG   9          1HH2      ARG   9  10.029   6.814   4.645
   78   HH22  ARG   9          2HH2      ARG   9   8.456   6.705   5.319
   79    H    GLY  10           H        GLY  10  10.749   0.167  -0.691
   80    HA2  GLY  10           2HA      GLY  10  11.876  -1.829  -1.123
   81    HA3  GLY  10           1HA      GLY  10  12.557  -1.758   0.492
   82    H    VAL  11           H        VAL  11   9.378  -1.267   1.002
   83    HA   VAL  11           HA       VAL  11   8.961  -4.152   1.258
   84    HB   VAL  11           HB       VAL  11   7.548  -3.778   3.190
   85   HG11  VAL  11          1HG1      VAL  11   9.882  -4.057   3.628
   86   HG12  VAL  11          2HG1      VAL  11   9.187  -2.940   4.801
   87   HG13  VAL  11          3HG1      VAL  11  10.156  -2.325   3.459
   88   HG21  VAL  11          3HG2      VAL  11   7.282  -1.563   4.235
   89   HG22  VAL  11          1HG2      VAL  11   6.564  -1.619   2.622
   90   HG23  VAL  11          2HG2      VAL  11   8.122  -0.831   2.865
   91    H    ABA  12           H        ABA  12   7.175  -5.056   0.456
   92    HA   ABA  12           HA       ABA  12   5.498  -3.476  -1.250
   93    HB3  ABA  12           1HB      ABA  12   4.314  -5.632  -1.645
   94    HB2  ABA  12           2HB      ABA  12   5.325  -6.384  -0.419
   95    HG1  ABA  12           3HG      ABA  12   6.121  -6.913  -2.634
   96    HG3  ABA  12           1HG      ABA  12   7.303  -5.939  -1.764
   97    HG2  ABA  12           2HG      ABA  12   6.293  -5.197  -3.003
   98    H    ARG  13           H        ARG  13   4.033  -2.245  -0.389
   99    HA   ARG  13           HA       ARG  13   2.919  -3.010   2.179
  100    HB2  ARG  13           2HB      ARG  13   4.102  -0.828   1.936
  101    HB3  ARG  13           1HB      ARG  13   2.881  -0.337   0.773
  102    HG2  ARG  13           2HG      ARG  13   2.445   0.626   2.959
  103    HG3  ARG  13           1HG      ARG  13   1.166  -0.506   2.507
  104    HD2  ARG  13           2HD      ARG  13   2.133  -2.219   3.913
  105    HD3  ARG  13           1HD      ARG  13   3.501  -1.173   4.299
  106    HE   ARG  13           HE       ARG  13   1.549   0.322   5.164
  107   HH11  ARG  13          1HH1      ARG  13   1.845  -3.192   5.543
  108   HH12  ARG  13          2HH1      ARG  13   1.042  -3.226   7.037
  109   HH21  ARG  13          1HH2      ARG  13   0.494   0.264   7.214
  110   HH22  ARG  13          2HH2      ARG  13   0.261  -1.213   8.024
  111    H    ABA  14           H        ABA  14   1.062  -4.006   2.039
  112    HA   ABA  14           HA       ABA  14  -0.759  -3.472  -0.170
  113    HB3  ABA  14           1HB      ABA  14  -0.891  -5.575   2.011
  114    HB2  ABA  14           2HB      ABA  14  -0.212  -5.838   0.411
  115    HG1  ABA  14           3HG      ABA  14  -2.453  -6.757   0.568
  116    HG3  ABA  14           1HG      ABA  14  -2.399  -5.433  -0.595
  117    HG2  ABA  14           2HG      ABA  14  -3.087  -5.170   1.006
  118    H    VAL  15           H        VAL  15  -1.697  -1.615   0.290
  119    HA   VAL  15           HA       VAL  15  -2.781  -1.082   2.947
  120    HB   VAL  15           HB       VAL  15  -2.814   0.652   0.455
  121   HG11  VAL  15          1HG1      VAL  15  -4.572   1.254   2.024
  122   HG12  VAL  15          2HG1      VAL  15  -3.323   2.499   1.981
  123   HG13  VAL  15          3HG1      VAL  15  -3.390   1.362   3.327
  124   HG21  VAL  15          3HG2      VAL  15  -0.953   0.740   2.830
  125   HG22  VAL  15          1HG2      VAL  15  -0.992   1.910   1.510
  126   HG23  VAL  15          2HG2      VAL  15  -0.532   0.237   1.193
  127    H    CYS  16           H        CYS  16  -4.743  -1.935   3.354
  128    HA   CYS  16           HA       CYS  16  -6.671  -2.083   1.154
  129    HB2  CYS  16           2HB      CYS  16  -6.537  -3.734   3.691
  130    HB3  CYS  16           1HB      CYS  16  -7.792  -3.849   2.468
  131    H    ARG  17           H        ARG  17  -8.200  -0.632   1.217
  132    HA   ARG  17           HA       ARG  17  -9.549  -0.130   3.692
  133    HB2  ARG  17           2HB      ARG  17  -9.568   2.349   3.337
  134    HB3  ARG  17           1HB      ARG  17  -8.008   1.707   3.805
  135    HG2  ARG  17           2HG      ARG  17  -7.329   1.795   1.421
  136    HG3  ARG  17           1HG      ARG  17  -8.873   2.561   1.049
  137    HD2  ARG  17           2HD      ARG  17  -7.138   4.250   1.299
  138    HD3  ARG  17           1HD      ARG  17  -8.318   4.379   2.601
  139    HE   ARG  17           HE       ARG  17  -6.467   2.823   3.711
  140   HH11  ARG  17          1HH1      ARG  17  -6.103   5.875   1.948
  141   HH12  ARG  17          2HH1      ARG  17  -4.749   6.396   2.817
  142   HH21  ARG  17          1HH2      ARG  17  -4.610   3.503   4.904
  143   HH22  ARG  17          2HH2      ARG  17  -3.870   4.995   4.572
  144    H    ARG  18           H        ARG  18 -11.658   0.123   3.435
  145    HA   ARG  18           HA       ARG  18 -13.693   0.037   2.501
  146    HB2  ARG  18           2HB      ARG  18 -13.047   2.298   1.627
  147    HB3  ARG  18           1HB      ARG  18 -12.415   1.542   0.180
  148    HG2  ARG  18           2HG      ARG  18 -14.596   2.554  -0.229
  149    HG3  ARG  18           1HG      ARG  18 -14.665   0.799  -0.410
  150    HD2  ARG  18           2HD      ARG  18 -15.585   0.597   1.830
  151    HD3  ARG  18           1HD      ARG  18 -15.522   2.347   2.025
  152    HE   ARG  18           HE       ARG  18 -16.975   1.941  -0.234
  153   HH11  ARG  18          1HH1      ARG  18 -17.250   0.822   3.120
  154   HH12  ARG  18          2HH1      ARG  18 -18.926   0.675   3.103
  155   HH21  ARG  18          1HH2      ARG  18 -19.320   1.774  -0.260
  156   HH22  ARG  18          2HH2      ARG  18 -20.158   1.282   1.131
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1 -12.129  -2.354   1.402
    2    HA2  GLY   1           2HA      GLY   1 -12.215  -4.477   0.435
    3    HA3  GLY   1           1HA      GLY   1 -13.370  -3.869  -0.747
    4    H    VAL   2           H        VAL   2 -11.093  -1.603  -0.720
    5    HA   VAL   2           HA       VAL   2  -9.840  -2.718  -3.099
    6    HB   VAL   2           HB       VAL   2  -9.791   0.115  -2.018
    7   HG11  VAL   2          1HG1      VAL   2  -7.880  -0.365  -3.438
    8   HG12  VAL   2          2HG1      VAL   2  -8.984   0.746  -4.243
    9   HG13  VAL   2          3HG1      VAL   2  -8.953  -0.953  -4.708
   10   HG21  VAL   2          3HG2      VAL   2 -11.487  -1.067  -4.215
   11   HG22  VAL   2          1HG2      VAL   2 -11.391   0.647  -3.815
   12   HG23  VAL   2          2HG2      VAL   2 -12.054  -0.492  -2.645
   13    H    CYS   3           H        CYS   3  -7.848  -3.453  -2.987
   14    HA   CYS   3           HA       CYS   3  -6.183  -2.674  -0.714
   15    HB2  CYS   3           2HB      CYS   3  -6.266  -5.265  -2.257
   16    HB3  CYS   3           1HB      CYS   3  -5.047  -4.867  -1.047
   17    H    ARG   4           H        ARG   4  -4.425  -1.618  -1.159
   18    HA   ARG   4           HA       ARG   4  -3.368  -1.760  -3.879
   19    HB2  ARG   4           2HB      ARG   4  -3.640   0.702  -2.147
   20    HB3  ARG   4           1HB      ARG   4  -2.728   0.648  -3.652
   21    HG2  ARG   4           2HG      ARG   4  -4.747   0.100  -4.886
   22    HG3  ARG   4           1HG      ARG   4  -5.670   0.079  -3.387
   23    HD2  ARG   4           2HD      ARG   4  -5.214   2.437  -3.058
   24    HD3  ARG   4           1HD      ARG   4  -4.235   2.479  -4.525
   25    HE   ARG   4           HE       ARG   4  -6.676   1.480  -5.258
   26   HH11  ARG   4          1HH1      ARG   4  -5.501   4.539  -3.918
   27   HH12  ARG   4          2HH1      ARG   4  -6.775   5.462  -4.606
   28   HH21  ARG   4          1HH2      ARG   4  -8.423   2.766  -6.144
   29   HH22  ARG   4          2HH2      ARG   4  -8.445   4.445  -5.881
   30    H    ABA   5           H        ABA   5  -1.378  -2.352  -3.999
   31    HA   ABA   5           HA       ABA   5   0.174  -2.627  -1.560
   32    HB3  ABA   5           1HB      ABA   5   0.517  -3.822  -4.315
   33    HB2  ABA   5           2HB      ABA   5  -0.166  -4.636  -2.916
   34    HG1  ABA   5           3HG      ABA   5   2.121  -5.335  -3.321
   35    HG3  ABA   5           1HG      ABA   5   1.976  -4.507  -1.772
   36    HG2  ABA   5           2HG      ABA   5   2.665  -3.665  -3.157
   37    H    VAL   6           H        VAL   6   1.420  -0.983  -1.129
   38    HA   VAL   6           HA       VAL   6   2.707   0.342  -3.362
   39    HB   VAL   6           HB       VAL   6   3.202   2.239  -1.814
   40   HG11  VAL   6          1HG1      VAL   6   1.267   2.337  -3.249
   41   HG12  VAL   6          2HG1      VAL   6   0.927   3.136  -1.715
   42   HG13  VAL   6          3HG1      VAL   6   0.285   1.520  -2.034
   43   HG21  VAL   6          3HG2      VAL   6   1.438   0.740   0.142
   44   HG22  VAL   6          1HG2      VAL   6   1.991   2.408   0.337
   45   HG23  VAL   6          2HG2      VAL   6   3.155   1.085   0.330
   46    H    ABA   7           H        ABA   7   4.630  -0.323  -3.785
   47    HA   ABA   7           HA       ABA   7   6.229  -1.499  -1.657
   48    HB3  ABA   7           1HB      ABA   7   6.813  -1.336  -4.630
   49    HB2  ABA   7           2HB      ABA   7   6.007  -2.696  -3.857
   50    HG1  ABA   7           3HG      ABA   7   8.818  -1.776  -3.298
   51    HG3  ABA   7           1HG      ABA   7   8.351  -3.186  -4.253
   52    HG2  ABA   7           2HG      ABA   7   8.007  -3.134  -2.523
   53    H    ARG   8           H        ARG   8   7.156   0.015  -0.508
   54    HA   ARG   8           HA       ARG   8   8.376   2.226  -1.958
   55    HB2  ARG   8           2HB      ARG   8   8.220   3.563   0.148
   56    HB3  ARG   8           1HB      ARG   8   6.667   3.131  -0.544
   57    HG2  ARG   8           2HG      ARG   8   6.429   1.369   1.157
   58    HG3  ARG   8           1HG      ARG   8   7.986   1.844   1.845
   59    HD2  ARG   8           2HD      ARG   8   5.520   3.582   1.629
   60    HD3  ARG   8           1HD      ARG   8   6.140   2.840   3.102
   61    HE   ARG   8           HE       ARG   8   8.105   4.484   1.849
   62   HH11  ARG   8          1HH1      ARG   8   5.252   4.697   3.958
   63   HH12  ARG   8          2HH1      ARG   8   5.690   6.226   4.572
   64   HH21  ARG   8          1HH2      ARG   8   8.680   6.516   2.744
   65   HH22  ARG   8          2HH2      ARG   8   7.674   7.271   3.902
   66    H    ARG   9           H        ARG   9  10.185   1.303  -2.438
   67    HA   ARG   9           HA       ARG   9  12.311   0.701  -2.340
   68    HB2  ARG   9           2HB      ARG   9  12.423   2.886  -1.174
   69    HB3  ARG   9           1HB      ARG   9  12.310   2.055   0.362
   70    HG2  ARG   9           2HG      ARG   9  14.623   2.717  -0.204
   71    HG3  ARG   9           1HG      ARG   9  14.444   0.973  -0.014
   72    HD2  ARG   9           2HD      ARG   9  15.840   1.689  -1.958
   73    HD3  ARG   9           1HD      ARG   9  14.493   0.639  -2.381
   74    HE   ARG   9           HE       ARG   9  13.563   3.210  -2.674
   75   HH11  ARG   9          1HH1      ARG   9  16.295   1.422  -4.070
   76   HH12  ARG   9          2HH1      ARG   9  16.164   2.142  -5.598
   77   HH21  ARG   9          1HH2      ARG   9  13.358   4.145  -4.772
   78   HH22  ARG   9          2HH2      ARG   9  14.453   3.736  -6.021
   79    H    GLY  10           H        GLY  10  11.172  -1.403  -2.144
   80    HA2  GLY  10           2HA      GLY  10  11.732  -3.562  -1.533
   81    HA3  GLY  10           1HA      GLY  10  12.611  -2.929  -0.147
   82    H    VAL  11           H        VAL  11  10.226  -1.319   0.661
   83    HA   VAL  11           HA       VAL  11   9.010  -3.416   2.221
   84    HB   VAL  11           HB       VAL  11   8.531  -0.417   2.303
   85   HG11  VAL  11          1HG1      VAL  11   6.649  -1.673   3.240
   86   HG12  VAL  11          2HG1      VAL  11   7.532  -0.825   4.508
   87   HG13  VAL  11          3HG1      VAL  11   7.754  -2.561   4.292
   88   HG21  VAL  11          3HG2      VAL  11  10.829  -0.973   2.862
   89   HG22  VAL  11          1HG2      VAL  11  10.276  -2.158   4.045
   90   HG23  VAL  11          2HG2      VAL  11   9.957  -0.443   4.301
   91    H    ABA  12           H        ABA  12   7.562  -4.530   1.203
   92    HA   ABA  12           HA       ABA  12   5.666  -3.383  -0.650
   93    HB3  ABA  12           1HB      ABA  12   6.001  -6.195   0.441
   94    HB2  ABA  12           2HB      ABA  12   6.683  -5.605  -1.066
   95    HG1  ABA  12           3HG      ABA  12   4.450  -5.308  -1.976
   96    HG3  ABA  12           1HG      ABA  12   3.758  -5.900  -0.468
   97    HG2  ABA  12           2HG      ABA  12   4.739  -6.970  -1.471
   98    H    ARG  13           H        ARG  13   4.239  -2.110   0.461
   99    HA   ARG  13           HA       ARG  13   2.950  -3.225   2.853
  100    HB2  ARG  13           2HB      ARG  13   4.143  -1.073   3.111
  101    HB3  ARG  13           1HB      ARG  13   3.129  -0.373   1.865
  102    HG2  ARG  13           2HG      ARG  13   2.351   0.338   4.027
  103    HG3  ARG  13           1HG      ARG  13   1.157  -0.747   3.315
  104    HD2  ARG  13           2HD      ARG  13   1.535  -1.210   5.695
  105    HD3  ARG  13           1HD      ARG  13   1.982  -2.584   4.679
  106    HE   ARG  13           HE       ARG  13   4.195  -0.895   5.169
  107   HH11  ARG  13          1HH1      ARG  13   2.205  -3.327   6.783
  108   HH12  ARG  13          2HH1      ARG  13   3.457  -3.884   7.795
  109   HH21  ARG  13          1HH2      ARG  13   5.922  -1.659   6.612
  110   HH22  ARG  13          2HH2      ARG  13   5.568  -2.917   7.698
  111    H    ABA  14           H        ABA  14   1.043  -4.212   2.293
  112    HA   ABA  14           HA       ABA  14  -0.539  -2.967   0.175
  113    HB3  ABA  14           1HB      ABA  14  -0.866  -5.694   1.452
  114    HB2  ABA  14           2HB      ABA  14  -0.080  -5.388  -0.095
  115    HG1  ABA  14           3HG      ABA  14  -2.345  -6.219  -0.401
  116    HG3  ABA  14           1HG      ABA  14  -2.194  -4.569  -1.008
  117    HG2  ABA  14           2HG      ABA  14  -2.979  -4.874   0.540
  118    H    VAL  15           H        VAL  15  -1.938  -1.571   0.795
  119    HA   VAL  15           HA       VAL  15  -3.159  -1.846   3.436
  120    HB   VAL  15           HB       VAL  15  -3.865   0.516   3.203
  121   HG11  VAL  15          1HG1      VAL  15  -0.916   0.082   2.759
  122   HG12  VAL  15          2HG1      VAL  15  -1.759   0.041   4.308
  123   HG13  VAL  15          3HG1      VAL  15  -1.644   1.552   3.406
  124   HG21  VAL  15          3HG2      VAL  15  -2.292   0.483   0.617
  125   HG22  VAL  15          1HG2      VAL  15  -2.972   1.918   1.385
  126   HG23  VAL  15          2HG2      VAL  15  -4.040   0.660   0.763
  127    H    CYS  16           H        CYS  16  -5.413  -1.766   3.659
  128    HA   CYS  16           HA       CYS  16  -6.936  -2.050   1.180
  129    HB2  CYS  16           2HB      CYS  16  -7.122  -3.895   3.574
  130    HB3  CYS  16           1HB      CYS  16  -8.227  -3.897   2.213
  131    H    ARG  17           H        ARG  17  -8.776  -0.963   1.174
  132    HA   ARG  17           HA       ARG  17 -10.348  -0.605   3.514
  133    HB2  ARG  17           2HB      ARG  17 -10.448   1.844   3.490
  134    HB3  ARG  17           1HB      ARG  17  -8.798   1.323   3.789
  135    HG2  ARG  17           2HG      ARG  17  -8.198   1.833   1.501
  136    HG3  ARG  17           1HG      ARG  17  -9.882   2.241   1.146
  137    HD2  ARG  17           2HD      ARG  17  -9.766   4.021   2.836
  138    HD3  ARG  17           1HD      ARG  17  -8.059   3.655   3.083
  139    HE   ARG  17           HE       ARG  17  -8.465   4.071   0.378
  140   HH11  ARG  17          1HH1      ARG  17  -8.602   5.987   3.361
  141   HH12  ARG  17          2HH1      ARG  17  -8.155   7.441   2.617
  142   HH21  ARG  17          1HH2      ARG  17  -7.919   6.072  -0.649
  143   HH22  ARG  17          2HH2      ARG  17  -7.799   7.509   0.262
  144    H    ARG  18           H        ARG  18 -12.471  -0.409   2.967
  145    HA   ARG  18           HA       ARG  18 -14.371  -0.328   1.740
  146    HB2  ARG  18           2HB      ARG  18 -13.459   1.901   0.969
  147    HB3  ARG  18           1HB      ARG  18 -12.702   1.085  -0.379
  148    HG2  ARG  18           2HG      ARG  18 -14.671   2.160  -1.164
  149    HG3  ARG  18           1HG      ARG  18 -14.985   0.424  -1.163
  150    HD2  ARG  18           2HD      ARG  18 -16.898   1.612  -0.311
  151    HD3  ARG  18           1HD      ARG  18 -16.163   0.692   1.000
  152    HE   ARG  18           HE       ARG  18 -14.979   3.054   1.290
  153   HH11  ARG  18          1HH1      ARG  18 -18.400   2.297   0.826
  154   HH12  ARG  18          2HH1      ARG  18 -18.960   3.638   1.709
  155   HH21  ARG  18          1HH2      ARG  18 -15.715   4.876   2.472
  156   HH22  ARG  18          2HH2      ARG  18 -17.386   5.159   2.692
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -11.817  -1.653   1.056
    2    HA2  GLY   1           2HA      GLY   1 -12.578  -3.740   0.301
    3    HA3  GLY   1           1HA      GLY   1 -13.555  -2.921  -0.910
    4    H    VAL   2           H        VAL   2 -10.630  -1.418  -1.020
    5    HA   VAL   2           HA       VAL   2  -9.701  -3.289  -3.060
    6    HB   VAL   2           HB       VAL   2 -10.613  -1.182  -4.037
    7   HG11  VAL   2          1HG1      VAL   2 -10.113   0.406  -2.315
    8   HG12  VAL   2          2HG1      VAL   2  -9.407   0.932  -3.844
    9   HG13  VAL   2          3HG1      VAL   2  -8.383   0.216  -2.597
   10   HG21  VAL   2          3HG2      VAL   2  -7.652  -1.554  -4.425
   11   HG22  VAL   2          1HG2      VAL   2  -8.720  -0.658  -5.507
   12   HG23  VAL   2          2HG2      VAL   2  -8.946  -2.393  -5.280
   13    H    CYS   3           H        CYS   3  -7.504  -3.745  -3.131
   14    HA   CYS   3           HA       CYS   3  -6.057  -2.876  -0.752
   15    HB2  CYS   3           2HB      CYS   3  -5.679  -5.346  -2.438
   16    HB3  CYS   3           1HB      CYS   3  -4.761  -4.939  -0.995
   17    H    ARG   4           H        ARG   4  -4.255  -1.848  -0.865
   18    HA   ARG   4           HA       ARG   4  -3.038  -1.441  -3.511
   19    HB2  ARG   4           2HB      ARG   4  -2.983   0.386  -1.101
   20    HB3  ARG   4           1HB      ARG   4  -2.203   0.689  -2.640
   21    HG2  ARG   4           2HG      ARG   4  -5.167   0.531  -2.148
   22    HG3  ARG   4           1HG      ARG   4  -4.219   1.996  -2.389
   23    HD2  ARG   4           2HD      ARG   4  -3.609   1.167  -4.653
   24    HD3  ARG   4           1HD      ARG   4  -4.695  -0.203  -4.395
   25    HE   ARG   4           HE       ARG   4  -5.811   2.420  -4.014
   26   HH11  ARG   4          1HH1      ARG   4  -5.381  -0.242  -6.324
   27   HH12  ARG   4          2HH1      ARG   4  -6.737   0.150  -7.271
   28   HH21  ARG   4          1HH2      ARG   4  -7.672   2.955  -5.303
   29   HH22  ARG   4          2HH2      ARG   4  -8.063   2.050  -6.686
   30    H    ABA   5           H        ABA   5  -1.227  -2.560  -3.614
   31    HA   ABA   5           HA       ABA   5   0.275  -3.146  -1.212
   32    HB3  ABA   5           1HB      ABA   5   0.841  -3.888  -4.105
   33    HB2  ABA   5           2HB      ABA   5  -0.026  -4.910  -2.968
   34    HG1  ABA   5           3HG      ABA   5   1.969  -5.069  -1.574
   35    HG3  ABA   5           1HG      ABA   5   2.846  -4.050  -2.717
   36    HG2  ABA   5           2HG      ABA   5   2.273  -5.644  -3.213
   37    H    VAL   6           H        VAL   6   0.998  -1.204  -0.599
   38    HA   VAL   6           HA       VAL   6   2.302   0.479  -2.507
   39    HB   VAL   6           HB       VAL   6   1.097   1.635  -0.907
   40   HG11  VAL   6          1HG1      VAL   6   1.612   1.609   1.552
   41   HG12  VAL   6          2HG1      VAL   6   2.776   0.317   1.256
   42   HG13  VAL   6          3HG1      VAL   6   1.058   0.039   0.965
   43   HG21  VAL   6          3HG2      VAL   6   4.022   1.992  -0.321
   44   HG22  VAL   6          1HG2      VAL   6   2.773   3.154   0.131
   45   HG23  VAL   6          2HG2      VAL   6   3.070   2.792  -1.569
   46    H    ABA   7           H        ABA   7   4.206   0.676  -2.846
   47    HA   ABA   7           HA       ABA   7   6.082  -1.112  -1.450
   48    HB3  ABA   7           1HB      ABA   7   6.007  -0.515  -4.415
   49    HB2  ABA   7           2HB      ABA   7   5.490  -2.013  -3.659
   50    HG1  ABA   7           3HG      ABA   7   7.771  -2.438  -2.910
   51    HG3  ABA   7           1HG      ABA   7   8.287  -0.928  -3.656
   52    HG2  ABA   7           2HG      ABA   7   7.680  -2.247  -4.660
   53    H    ARG   8           H        ARG   8   7.049   0.295  -0.216
   54    HA   ARG   8           HA       ARG   8   7.927   2.866  -1.264
   55    HB2  ARG   8           2HB      ARG   8   8.106   1.696   1.524
   56    HB3  ARG   8           1HB      ARG   8   8.518   3.347   1.093
   57    HG2  ARG   8           2HG      ARG   8   6.173   3.709   0.405
   58    HG3  ARG   8           1HG      ARG   8   5.799   2.070   0.934
   59    HD2  ARG   8           2HD      ARG   8   5.161   3.586   2.665
   60    HD3  ARG   8           1HD      ARG   8   6.580   2.692   3.210
   61    HE   ARG   8           HE       ARG   8   7.576   4.960   2.087
   62   HH11  ARG   8          1HH1      ARG   8   5.299   4.265   4.700
   63   HH12  ARG   8          2HH1      ARG   8   5.581   5.738   5.522
   64   HH21  ARG   8          1HH2      ARG   8   7.941   7.007   3.257
   65   HH22  ARG   8          2HH2      ARG   8   7.075   7.280   4.707
   66    H    ARG   9           H        ARG   9   9.269   1.577  -2.729
   67    HA   ARG   9           HA       ARG   9  11.129   0.669  -3.490
   68    HB2  ARG   9           2HB      ARG   9  11.957   2.917  -2.914
   69    HB3  ARG   9           1HB      ARG   9  12.386   2.358  -1.307
   70    HG2  ARG   9           2HG      ARG   9  14.136   1.004  -2.146
   71    HG3  ARG   9           1HG      ARG   9  13.584   1.195  -3.805
   72    HD2  ARG   9           2HD      ARG   9  15.540   2.574  -3.395
   73    HD3  ARG   9           1HD      ARG   9  14.129   3.567  -3.722
   74    HE   ARG   9           HE       ARG   9  14.050   3.680  -1.137
   75   HH11  ARG   9          1HH1      ARG   9  16.970   3.724  -3.131
   76   HH12  ARG   9          2HH1      ARG   9  17.870   4.676  -2.054
   77   HH21  ARG   9          1HH2      ARG   9  15.269   5.041   0.321
   78   HH22  ARG   9          2HH2      ARG   9  16.879   5.460  -0.033
   79    H    GLY  10           H        GLY  10  10.321  -1.363  -2.805
   80    HA2  GLY  10           2HA      GLY  10  11.155  -3.470  -2.212
   81    HA3  GLY  10           1HA      GLY  10  12.264  -2.699  -1.086
   82    H    VAL  11           H        VAL  11  10.275  -1.099   0.221
   83    HA   VAL  11           HA       VAL  11   9.286  -3.122   2.024
   84    HB   VAL  11           HB       VAL  11   8.887  -0.116   2.149
   85   HG11  VAL  11          1HG1      VAL  11   8.463  -0.484   4.543
   86   HG12  VAL  11          2HG1      VAL  11   8.625  -2.224   4.292
   87   HG13  VAL  11          3HG1      VAL  11   7.301  -1.347   3.532
   88   HG21  VAL  11          3HG2      VAL  11  11.016  -1.805   3.467
   89   HG22  VAL  11          1HG2      VAL  11  10.764  -0.078   3.735
   90   HG23  VAL  11          2HG2      VAL  11  11.268  -0.662   2.147
   91    H    ABA  12           H        ABA  12   7.641  -4.195   1.155
   92    HA   ABA  12           HA       ABA  12   5.464  -2.754  -0.160
   93    HB3  ABA  12           1HB      ABA  12   4.703  -4.992  -0.859
   94    HB2  ABA  12           2HB      ABA  12   6.044  -5.714   0.021
   95    HG1  ABA  12           3HG      ABA  12   6.526  -5.616  -2.334
   96    HG3  ABA  12           1HG      ABA  12   7.620  -4.558  -1.448
   97    HG2  ABA  12           2HG      ABA  12   6.260  -3.878  -2.343
   98    H    ARG  13           H        ARG  13   3.555  -2.532   0.758
   99    HA   ARG  13           HA       ARG  13   2.782  -4.286   2.960
  100    HB2  ARG  13           2HB      ARG  13   3.751  -2.189   3.910
  101    HB3  ARG  13           1HB      ARG  13   2.551  -1.266   3.027
  102    HG2  ARG  13           2HG      ARG  13   0.771  -2.300   4.291
  103    HG3  ARG  13           1HG      ARG  13   1.938  -3.315   5.142
  104    HD2  ARG  13           2HD      ARG  13   3.006  -1.260   6.027
  105    HD3  ARG  13           1HD      ARG  13   1.745  -0.308   5.244
  106    HE   ARG  13           HE       ARG  13   0.420  -2.138   6.752
  107   HH11  ARG  13          1HH1      ARG  13   2.781   0.440   7.465
  108   HH12  ARG  13          2HH1      ARG  13   2.208   0.681   9.040
  109   HH21  ARG  13          1HH2      ARG  13  -0.324  -1.760   8.949
  110   HH22  ARG  13          2HH2      ARG  13   0.422  -0.535   9.886
  111    H    ABA  14           H        ABA  14   0.771  -5.049   2.576
  112    HA   ABA  14           HA       ABA  14  -0.731  -3.796   0.419
  113    HB3  ABA  14           1HB      ABA  14  -1.149  -6.473   1.776
  114    HB2  ABA  14           2HB      ABA  14  -0.254  -6.239   0.283
  115    HG1  ABA  14           3HG      ABA  14  -2.287  -5.443  -0.810
  116    HG3  ABA  14           1HG      ABA  14  -3.182  -5.690   0.688
  117    HG2  ABA  14           2HG      ABA  14  -2.490  -7.072  -0.161
  118    H    VAL  15           H        VAL  15  -1.898  -2.194   1.169
  119    HA   VAL  15           HA       VAL  15  -3.382  -2.626   3.649
  120    HB   VAL  15           HB       VAL  15  -1.997  -0.614   3.732
  121   HG11  VAL  15          1HG1      VAL  15  -1.800  -0.115   1.366
  122   HG12  VAL  15          2HG1      VAL  15  -2.345   1.308   2.251
  123   HG13  VAL  15          3HG1      VAL  15  -3.496   0.363   1.309
  124   HG21  VAL  15          3HG2      VAL  15  -4.921   0.087   3.475
  125   HG22  VAL  15          1HG2      VAL  15  -3.707   1.076   4.286
  126   HG23  VAL  15          2HG2      VAL  15  -4.117  -0.520   4.921
  127    H    CYS  16           H        CYS  16  -5.490  -2.992   3.562
  128    HA   CYS  16           HA       CYS  16  -6.806  -2.500   1.001
  129    HB2  CYS  16           2HB      CYS  16  -7.595  -4.412   3.196
  130    HB3  CYS  16           1HB      CYS  16  -8.376  -4.244   1.625
  131    H    ARG  17           H        ARG  17  -8.185  -0.980   0.838
  132    HA   ARG  17           HA       ARG  17  -9.704  -0.109   3.159
  133    HB2  ARG  17           2HB      ARG  17  -7.661   1.276   3.098
  134    HB3  ARG  17           1HB      ARG  17  -7.992   1.685   1.425
  135    HG2  ARG  17           2HG      ARG  17 -10.011   2.870   2.112
  136    HG3  ARG  17           1HG      ARG  17  -9.687   2.448   3.795
  137    HD2  ARG  17           2HD      ARG  17  -7.560   3.639   3.694
  138    HD3  ARG  17           1HD      ARG  17  -7.862   4.056   2.009
  139    HE   ARG  17           HE       ARG  17 -10.002   4.944   3.552
  140   HH11  ARG  17          1HH1      ARG  17  -6.556   5.686   3.144
  141   HH12  ARG  17          2HH1      ARG  17  -6.734   7.329   3.570
  142   HH21  ARG  17          1HH2      ARG  17 -10.202   7.188   4.138
  143   HH22  ARG  17          2HH2      ARG  17  -8.810   8.189   4.146
  144    H    ARG  18           H        ARG  18 -11.753   0.459   2.549
  145    HA   ARG  18           HA       ARG  18 -13.586   0.917   1.306
  146    HB2  ARG  18           2HB      ARG  18 -12.104   2.713   0.291
  147    HB3  ARG  18           1HB      ARG  18 -11.710   1.583  -0.983
  148    HG2  ARG  18           2HG      ARG  18 -14.137   1.525  -1.585
  149    HG3  ARG  18           1HG      ARG  18 -14.403   2.813  -0.410
  150    HD2  ARG  18           2HD      ARG  18 -12.644   2.916  -2.855
  151    HD3  ARG  18           1HD      ARG  18 -14.147   3.801  -2.593
  152    HE   ARG  18           HE       ARG  18 -12.583   4.567  -0.532
  153   HH11  ARG  18          1HH1      ARG  18 -12.195   4.672  -4.049
  154   HH12  ARG  18          2HH1      ARG  18 -11.109   5.976  -4.025
  155   HH21  ARG  18          1HH2      ARG  18 -11.065   6.313  -0.497
  156   HH22  ARG  18          2HH2      ARG  18 -10.413   6.916  -1.950
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1 -11.921  -1.589   1.454
    2    HA2  GLY   1           2HA      GLY   1 -12.670  -3.525   0.401
    3    HA3  GLY   1           1HA      GLY   1 -13.455  -2.544  -0.827
    4    H    VAL   2           H        VAL   2 -10.676  -1.020  -0.836
    5    HA   VAL   2           HA       VAL   2  -9.744  -2.842  -2.882
    6    HB   VAL   2           HB       VAL   2 -10.352  -0.640  -3.757
    7   HG11  VAL   2          1HG1      VAL   2  -9.034   1.365  -3.296
    8   HG12  VAL   2          2HG1      VAL   2  -8.158   0.485  -2.040
    9   HG13  VAL   2          3HG1      VAL   2  -9.886   0.776  -1.866
   10   HG21  VAL   2          3HG2      VAL   2  -8.310  -0.160  -5.032
   11   HG22  VAL   2          1HG2      VAL   2  -8.651  -1.886  -4.943
   12   HG23  VAL   2          2HG2      VAL   2  -7.391  -1.184  -3.927
   13    H    CYS   3           H        CYS   3  -7.955  -3.913  -2.708
   14    HA   CYS   3           HA       CYS   3  -6.085  -3.203  -0.594
   15    HB2  CYS   3           2HB      CYS   3  -6.365  -5.734  -2.239
   16    HB3  CYS   3           1HB      CYS   3  -5.159  -5.477  -0.983
   17    H    ARG   4           H        ARG   4  -4.322  -2.230  -1.082
   18    HA   ARG   4           HA       ARG   4  -3.300  -2.344  -3.834
   19    HB2  ARG   4           2HB      ARG   4  -4.458  -0.236  -3.481
   20    HB3  ARG   4           1HB      ARG   4  -3.550   0.051  -2.017
   21    HG2  ARG   4           2HG      ARG   4  -2.779   1.475  -3.842
   22    HG3  ARG   4           1HG      ARG   4  -1.512   0.372  -3.327
   23    HD2  ARG   4           2HD      ARG   4  -3.271  -0.341  -5.648
   24    HD3  ARG   4           1HD      ARG   4  -1.942   0.789  -5.870
   25    HE   ARG   4           HE       ARG   4  -0.592  -1.138  -4.797
   26   HH11  ARG   4          1HH1      ARG   4  -3.221  -1.534  -7.133
   27   HH12  ARG   4          2HH1      ARG   4  -2.597  -2.977  -7.781
   28   HH21  ARG   4          1HH2      ARG   4   0.290  -3.091  -5.761
   29   HH22  ARG   4          2HH2      ARG   4  -0.582  -3.870  -6.993
   30    H    ABA   5           H        ABA   5  -1.515  -3.443  -3.693
   31    HA   ABA   5           HA       ABA   5   0.311  -3.170  -1.441
   32    HB3  ABA   5           1HB      ABA   5   0.504  -4.861  -3.952
   33    HB2  ABA   5           2HB      ABA   5  -0.176  -5.418  -2.430
   34    HG1  ABA   5           3HG      ABA   5   1.990  -5.108  -1.345
   35    HG3  ABA   5           1HG      ABA   5   2.677  -4.576  -2.878
   36    HG2  ABA   5           2HG      ABA   5   2.083  -6.234  -2.698
   37    H    VAL   6           H        VAL   6   1.313  -1.317  -1.511
   38    HA   VAL   6           HA       VAL   6   2.458  -0.364  -4.037
   39    HB   VAL   6           HB       VAL   6   2.589   0.975  -1.343
   40   HG11  VAL   6          1HG1      VAL   6   4.176   1.846  -2.913
   41   HG12  VAL   6          2HG1      VAL   6   2.919   3.050  -2.610
   42   HG13  VAL   6          3HG1      VAL   6   2.903   2.116  -4.102
   43   HG21  VAL   6          3HG2      VAL   6   0.466   1.393  -3.444
   44   HG22  VAL   6          1HG2      VAL   6   0.667   2.383  -1.999
   45   HG23  VAL   6          2HG2      VAL   6   0.226   0.683  -1.845
   46    H    ABA   7           H        ABA   7   4.651  -0.193  -4.209
   47    HA   ABA   7           HA       ABA   7   6.197  -1.675  -2.199
   48    HB3  ABA   7           1HB      ABA   7   7.022  -0.908  -5.020
   49    HB2  ABA   7           2HB      ABA   7   6.335  -2.465  -4.581
   50    HG1  ABA   7           3HG      ABA   7   8.746  -2.615  -4.805
   51    HG3  ABA   7           1HG      ABA   7   8.259  -2.909  -3.136
   52    HG2  ABA   7           2HG      ABA   7   8.953  -1.353  -3.592
   53    H    ARG   8           H        ARG   8   6.684  -0.202  -0.687
   54    HA   ARG   8           HA       ARG   8   7.855   2.341  -1.583
   55    HB2  ARG   8           2HB      ARG   8   5.675   2.637  -0.487
   56    HB3  ARG   8           1HB      ARG   8   6.251   1.753   0.917
   57    HG2  ARG   8           2HG      ARG   8   7.860   3.508   1.390
   58    HG3  ARG   8           1HG      ARG   8   7.356   4.375  -0.063
   59    HD2  ARG   8           2HD      ARG   8   5.593   3.738   2.306
   60    HD3  ARG   8           1HD      ARG   8   6.327   5.308   1.972
   61    HE   ARG   8           HE       ARG   8   4.928   4.732  -0.292
   62   HH11  ARG   8          1HH1      ARG   8   4.033   5.072   3.127
   63   HH12  ARG   8          2HH1      ARG   8   2.420   5.500   2.798
   64   HH21  ARG   8          1HH2      ARG   8   2.757   5.320  -0.731
   65   HH22  ARG   8          2HH2      ARG   8   1.665   5.645   0.545
   66    H    ARG   9           H        ARG   9   9.901   2.618  -1.054
   67    HA   ARG   9           HA       ARG   9  11.960   2.384  -0.186
   68    HB2  ARG   9           2HB      ARG   9  10.666   3.101   1.916
   69    HB3  ARG   9           1HB      ARG   9  10.652   1.408   2.369
   70    HG2  ARG   9           2HG      ARG   9  13.172   1.466   2.267
   71    HG3  ARG   9           1HG      ARG   9  13.046   3.217   2.100
   72    HD2  ARG   9           2HD      ARG   9  13.395   2.706   4.418
   73    HD3  ARG   9           1HD      ARG   9  11.728   3.252   4.213
   74    HE   ARG   9           HE       ARG   9  12.301   0.389   4.193
   75   HH11  ARG   9          1HH1      ARG   9  10.855   3.131   5.890
   76   HH12  ARG   9          2HH1      ARG   9   9.957   2.167   6.964
   77   HH21  ARG   9          1HH2      ARG   9  11.125  -0.914   5.678
   78   HH22  ARG   9          2HH2      ARG   9  10.103  -0.193   6.845
   79    H    GLY  10           H        GLY  10  10.729   0.184  -1.560
   80    HA2  GLY  10           2HA      GLY  10  11.394  -1.899  -2.241
   81    HA3  GLY  10           1HA      GLY  10  12.713  -1.797  -1.088
   82    H    VAL  11           H        VAL  11   9.492  -1.411   0.125
   83    HA   VAL  11           HA       VAL  11   9.346  -4.224   0.784
   84    HB   VAL  11           HB       VAL  11  10.398  -3.076   2.736
   85   HG11  VAL  11          1HG1      VAL  11   7.878  -1.476   2.917
   86   HG12  VAL  11          2HG1      VAL  11   9.499  -0.876   2.560
   87   HG13  VAL  11          3HG1      VAL  11   9.137  -1.544   4.149
   88   HG21  VAL  11          3HG2      VAL  11   8.907  -3.904   4.491
   89   HG22  VAL  11          1HG2      VAL  11   9.073  -5.051   3.163
   90   HG23  VAL  11          2HG2      VAL  11   7.614  -4.069   3.306
   91    H    ABA  12           H        ABA  12   7.244  -4.995   1.029
   92    HA   ABA  12           HA       ABA  12   5.385  -3.538  -0.567
   93    HB3  ABA  12           1HB      ABA  12   3.943  -5.544  -0.290
   94    HB2  ABA  12           2HB      ABA  12   5.153  -6.227   0.783
   95    HG1  ABA  12           3HG      ABA  12   5.349  -7.151  -1.446
   96    HG3  ABA  12           1HG      ABA  12   6.782  -6.210  -1.034
   97    HG2  ABA  12           2HG      ABA  12   5.562  -5.534  -2.116
   98    H    ARG  13           H        ARG  13   3.828  -2.351   0.021
   99    HA   ARG  13           HA       ARG  13   2.807  -2.404   2.773
  100    HB2  ARG  13           2HB      ARG  13   3.950  -0.292   2.148
  101    HB3  ARG  13           1HB      ARG  13   2.928  -0.156   0.732
  102    HG2  ARG  13           2HG      ARG  13   2.097   1.369   2.358
  103    HG3  ARG  13           1HG      ARG  13   0.958   0.030   2.270
  104    HD2  ARG  13           2HD      ARG  13   1.318   0.646   4.579
  105    HD3  ARG  13           1HD      ARG  13   2.008  -0.948   4.283
  106    HE   ARG  13           HE       ARG  13   4.146   0.496   3.915
  107   HH11  ARG  13          1HH1      ARG  13   1.701   1.026   6.427
  108   HH12  ARG  13          2HH1      ARG  13   2.804   1.603   7.574
  109   HH21  ARG  13          1HH2      ARG  13   5.661   1.299   5.483
  110   HH22  ARG  13          2HH2      ARG  13   5.123   1.779   7.017
  111    H    ABA  14           H        ABA  14   1.223  -4.016   2.246
  112    HA   ABA  14           HA       ABA  14  -0.672  -3.282   0.136
  113    HB3  ABA  14           1HB      ABA  14  -0.433  -5.896   1.646
  114    HB2  ABA  14           2HB      ABA  14   0.251  -5.601   0.053
  115    HG1  ABA  14           3HG      ABA  14  -1.835  -6.847  -0.091
  116    HG3  ABA  14           1HG      ABA  14  -1.989  -5.263  -0.854
  117    HG2  ABA  14           2HG      ABA  14  -2.679  -5.540   0.744
  118    H    VAL  15           H        VAL  15  -2.051  -1.959   0.820
  119    HA   VAL  15           HA       VAL  15  -3.255  -2.460   3.437
  120    HB   VAL  15           HB       VAL  15  -4.015  -0.080   3.404
  121   HG11  VAL  15          1HG1      VAL  15  -1.997  -0.666   4.608
  122   HG12  VAL  15          2HG1      VAL  15  -1.817   0.925   3.868
  123   HG13  VAL  15          3HG1      VAL  15  -1.043  -0.484   3.137
  124   HG21  VAL  15          3HG2      VAL  15  -3.996   0.296   0.978
  125   HG22  VAL  15          1HG2      VAL  15  -2.236   0.156   0.967
  126   HG23  VAL  15          2HG2      VAL  15  -3.011   1.500   1.811
  127    H    CYS  16           H        CYS  16  -5.391  -2.708   3.612
  128    HA   CYS  16           HA       CYS  16  -6.957  -2.654   1.140
  129    HB2  CYS  16           2HB      CYS  16  -7.315  -4.409   3.587
  130    HB3  CYS  16           1HB      CYS  16  -8.392  -4.375   2.202
  131    H    ARG  17           H        ARG  17  -8.225  -0.973   1.131
  132    HA   ARG  17           HA       ARG  17  -9.655  -0.253   3.549
  133    HB2  ARG  17           2HB      ARG  17  -7.557   1.068   3.543
  134    HB3  ARG  17           1HB      ARG  17  -7.989   1.703   1.963
  135    HG2  ARG  17           2HG      ARG  17  -9.974   2.740   2.931
  136    HG3  ARG  17           1HG      ARG  17  -9.520   2.115   4.515
  137    HD2  ARG  17           2HD      ARG  17  -7.399   3.358   4.361
  138    HD3  ARG  17           1HD      ARG  17  -7.932   4.012   2.813
  139    HE   ARG  17           HE       ARG  17  -9.738   4.440   4.991
  140   HH11  ARG  17          1HH1      ARG  17  -7.061   5.757   3.107
  141   HH12  ARG  17          2HH1      ARG  17  -7.267   7.358   3.677
  142   HH21  ARG  17          1HH2      ARG  17 -10.036   6.625   5.755
  143   HH22  ARG  17          2HH2      ARG  17  -8.990   7.845   5.216
  144    H    ARG  18           H        ARG  18 -11.668   0.414   3.056
  145    HA   ARG  18           HA       ARG  18 -13.541   0.868   1.922
  146    HB2  ARG  18           2HB      ARG  18 -12.251   2.929   1.248
  147    HB3  ARG  18           1HB      ARG  18 -11.710   2.083  -0.187
  148    HG2  ARG  18           2HG      ARG  18 -13.468   3.527  -0.877
  149    HG3  ARG  18           1HG      ARG  18 -14.145   1.903  -0.853
  150    HD2  ARG  18           2HD      ARG  18 -14.476   3.984   1.308
  151    HD3  ARG  18           1HD      ARG  18 -15.673   3.598   0.079
  152    HE   ARG  18           HE       ARG  18 -15.336   1.232   1.250
  153   HH11  ARG  18          1HH1      ARG  18 -15.916   4.435   2.597
  154   HH12  ARG  18          2HH1      ARG  18 -16.625   3.883   4.036
  155   HH21  ARG  18          1HH2      ARG  18 -16.308   0.448   3.206
  156   HH22  ARG  18          2HH2      ARG  18 -16.863   1.553   4.381
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1 -11.527  -1.659   1.758
    2    HA2  GLY   1           2HA      GLY   1 -12.349  -3.802   1.184
    3    HA3  GLY   1           1HA      GLY   1 -13.497  -3.040   0.095
    4    H    VAL   2           H        VAL   2 -10.755  -1.391  -0.539
    5    HA   VAL   2           HA       VAL   2 -10.027  -3.332  -2.602
    6    HB   VAL   2           HB       VAL   2 -10.902  -1.152  -3.469
    7   HG11  VAL   2          1HG1      VAL   2  -8.442   0.072  -2.250
    8   HG12  VAL   2          2HG1      VAL   2 -10.115   0.366  -1.781
    9   HG13  VAL   2          3HG1      VAL   2  -9.544   0.877  -3.369
   10   HG21  VAL   2          3HG2      VAL   2  -8.017  -1.701  -4.164
   11   HG22  VAL   2          1HG2      VAL   2  -9.139  -0.756  -5.142
   12   HG23  VAL   2          2HG2      VAL   2  -9.428  -2.475  -4.878
   13    H    CYS   3           H        CYS   3  -7.896  -3.870  -2.918
   14    HA   CYS   3           HA       CYS   3  -6.072  -2.955  -0.825
   15    HB2  CYS   3           2HB      CYS   3  -6.295  -5.700  -2.051
   16    HB3  CYS   3           1HB      CYS   3  -5.026  -5.196  -0.941
   17    H    ARG   4           H        ARG   4  -4.482  -1.865  -1.582
   18    HA   ARG   4           HA       ARG   4  -3.413  -2.538  -4.229
   19    HB2  ARG   4           2HB      ARG   4  -4.492  -0.340  -4.297
   20    HB3  ARG   4           1HB      ARG   4  -3.572   0.182  -2.894
   21    HG2  ARG   4           2HG      ARG   4  -1.503   0.011  -4.194
   22    HG3  ARG   4           1HG      ARG   4  -2.437  -0.521  -5.593
   23    HD2  ARG   4           2HD      ARG   4  -3.555   1.586  -5.729
   24    HD3  ARG   4           1HD      ARG   4  -2.863   2.115  -4.193
   25    HE   ARG   4           HE       ARG   4  -0.905   1.434  -6.160
   26   HH11  ARG   4          1HH1      ARG   4  -3.076   4.047  -5.153
   27   HH12  ARG   4          2HH1      ARG   4  -2.019   5.304  -5.568
   28   HH21  ARG   4          1HH2      ARG   4   0.593   3.172  -6.750
   29   HH22  ARG   4          2HH2      ARG   4   0.135   4.788  -6.498
   30    H    ABA   5           H        ABA   5  -1.447  -3.332  -4.112
   31    HA   ABA   5           HA       ABA   5   0.053  -2.996  -1.635
   32    HB3  ABA   5           1HB      ABA   5   0.445  -4.974  -3.893
   33    HB2  ABA   5           2HB      ABA   5  -0.420  -5.309  -2.401
   34    HG1  ABA   5           3HG      ABA   5   2.501  -4.630  -2.616
   35    HG3  ABA   5           1HG      ABA   5   1.824  -6.235  -2.347
   36    HG2  ABA   5           2HG      ABA   5   1.626  -4.977  -1.124
   37    H    VAL   6           H        VAL   6   1.208  -1.255  -1.687
   38    HA   VAL   6           HA       VAL   6   2.585  -0.535  -4.155
   39    HB   VAL   6           HB       VAL   6   3.076   1.639  -3.061
   40   HG11  VAL   6          1HG1      VAL   6   0.165   0.880  -3.012
   41   HG12  VAL   6          2HG1      VAL   6   1.080   1.426  -4.420
   42   HG13  VAL   6          3HG1      VAL   6   0.793   2.525  -3.067
   43   HG21  VAL   6          3HG2      VAL   6   1.988   2.245  -0.952
   44   HG22  VAL   6          1HG2      VAL   6   3.108   0.904  -0.721
   45   HG23  VAL   6          2HG2      VAL   6   1.376   0.596  -0.784
   46    H    ABA   7           H        ABA   7   4.770  -0.385  -4.279
   47    HA   ABA   7           HA       ABA   7   6.197  -1.574  -2.020
   48    HB3  ABA   7           1HB      ABA   7   7.114  -1.288  -4.893
   49    HB2  ABA   7           2HB      ABA   7   6.399  -2.751  -4.231
   50    HG1  ABA   7           3HG      ABA   7   8.814  -2.944  -4.340
   51    HG3  ABA   7           1HG      ABA   7   8.272  -2.945  -2.660
   52    HG2  ABA   7           2HG      ABA   7   8.992  -1.492  -3.353
   53    H    ARG   8           H        ARG   8   6.805  -0.006  -0.758
   54    HA   ARG   8           HA       ARG   8   8.442   2.116  -1.883
   55    HB2  ARG   8           2HB      ARG   8   6.123   3.036  -1.565
   56    HB3  ARG   8           1HB      ARG   8   6.254   2.655   0.145
   57    HG2  ARG   8           2HG      ARG   8   8.137   4.192   0.362
   58    HG3  ARG   8           1HG      ARG   8   8.043   4.557  -1.359
   59    HD2  ARG   8           2HD      ARG   8   6.956   6.309  -0.141
   60    HD3  ARG   8           1HD      ARG   8   5.741   5.374  -1.014
   61    HE   ARG   8           HE       ARG   8   6.267   4.770   1.794
   62   HH11  ARG   8          1HH1      ARG   8   4.033   6.077  -0.647
   63   HH12  ARG   8          2HH1      ARG   8   2.691   6.067   0.396
   64   HH21  ARG   8          1HH2      ARG   8   4.389   4.835   3.227
   65   HH22  ARG   8          2HH2      ARG   8   2.900   5.389   2.624
   66    H    ARG   9           H        ARG   9  10.139   2.573  -0.645
   67    HA   ARG   9           HA       ARG   9  11.745   2.384   0.855
   68    HB2  ARG   9           2HB      ARG   9  10.006   3.116   2.545
   69    HB3  ARG   9           1HB      ARG   9   9.632   1.427   2.833
   70    HG2  ARG   9           2HG      ARG   9  11.860   1.057   3.713
   71    HG3  ARG   9           1HG      ARG   9  12.304   2.725   3.353
   72    HD2  ARG   9           2HD      ARG   9  10.630   3.521   4.930
   73    HD3  ARG   9           1HD      ARG   9  10.128   1.860   5.254
   74    HE   ARG   9           HE       ARG   9  12.644   1.659   5.868
   75   HH11  ARG   9          1HH1      ARG   9  10.458   4.312   6.747
   76   HH12  ARG   9          2HH1      ARG   9  11.332   4.713   8.164
   77   HH21  ARG   9          1HH2      ARG   9  13.785   2.194   7.783
   78   HH22  ARG   9          2HH2      ARG   9  13.257   3.469   8.782
   79    H    GLY  10           H        GLY  10  10.860   0.352  -0.913
   80    HA2  GLY  10           2HA      GLY  10  11.574  -1.657  -1.642
   81    HA3  GLY  10           1HA      GLY  10  12.781  -1.626  -0.373
   82    H    VAL  11           H        VAL  11   9.282  -1.613   0.027
   83    HA   VAL  11           HA       VAL  11   9.240  -4.392   0.718
   84    HB   VAL  11           HB       VAL  11  10.014  -3.337   2.823
   85   HG11  VAL  11          1HG1      VAL  11   7.495  -1.725   2.707
   86   HG12  VAL  11          2HG1      VAL  11   9.150  -1.126   2.587
   87   HG13  VAL  11          3HG1      VAL  11   8.572  -1.839   4.097
   88   HG21  VAL  11          3HG2      VAL  11   8.269  -4.189   4.360
   89   HG22  VAL  11          1HG2      VAL  11   8.639  -5.313   3.050
   90   HG23  VAL  11          2HG2      VAL  11   7.172  -4.335   2.986
   91    H    ABA  12           H        ABA  12   7.125  -5.214   0.697
   92    HA   ABA  12           HA       ABA  12   5.317  -3.621  -0.879
   93    HB3  ABA  12           1HB      ABA  12   3.982  -5.705  -1.000
   94    HB2  ABA  12           2HB      ABA  12   5.147  -6.486   0.060
   95    HG1  ABA  12           3HG      ABA  12   5.551  -7.090  -2.236
   96    HG3  ABA  12           1HG      ABA  12   6.894  -6.132  -1.613
   97    HG2  ABA  12           2HG      ABA  12   5.705  -5.391  -2.685
   98    H    ARG  13           H        ARG  13   3.948  -2.355   0.023
   99    HA   ARG  13           HA       ARG  13   2.845  -3.014   2.652
  100    HB2  ARG  13           2HB      ARG  13   4.074  -0.853   2.406
  101    HB3  ARG  13           1HB      ARG  13   2.938  -0.379   1.161
  102    HG2  ARG  13           2HG      ARG  13   2.414   0.700   3.263
  103    HG3  ARG  13           1HG      ARG  13   1.123  -0.403   2.795
  104    HD2  ARG  13           2HD      ARG  13   1.657  -0.532   5.188
  105    HD3  ARG  13           1HD      ARG  13   1.925  -2.068   4.367
  106    HE   ARG  13           HE       ARG  13   4.345  -0.753   4.340
  107   HH11  ARG  13          1HH1      ARG  13   2.130  -1.844   6.902
  108   HH12  ARG  13          2HH1      ARG  13   3.403  -2.192   7.999
  109   HH21  ARG  13          1HH2      ARG  13   6.051  -1.288   5.868
  110   HH22  ARG  13          2HH2      ARG  13   5.634  -1.901   7.398
  111    H    ABA  14           H        ABA  14   1.030  -4.209   2.238
  112    HA   ABA  14           HA       ABA  14  -0.658  -3.529  -0.010
  113    HB3  ABA  14           1HB      ABA  14  -1.003  -5.671   2.099
  114    HB2  ABA  14           2HB      ABA  14  -0.215  -5.916   0.545
  115    HG1  ABA  14           3HG      ABA  14  -2.492  -6.761   0.530
  116    HG3  ABA  14           1HG      ABA  14  -2.307  -5.421  -0.600
  117    HG2  ABA  14           2HG      ABA  14  -3.098  -5.162   0.952
  118    H    VAL  15           H        VAL  15  -1.774  -1.795   0.252
  119    HA   VAL  15           HA       VAL  15  -2.915  -1.181   2.844
  120    HB   VAL  15           HB       VAL  15  -2.962   0.425   0.270
  121   HG11  VAL  15          1HG1      VAL  15  -3.606   2.316   1.697
  122   HG12  VAL  15          2HG1      VAL  15  -3.652   1.238   3.094
  123   HG13  VAL  15          3HG1      VAL  15  -4.792   1.011   1.768
  124   HG21  VAL  15          3HG2      VAL  15  -0.675   0.161   1.089
  125   HG22  VAL  15          1HG2      VAL  15  -1.173   0.727   2.684
  126   HG23  VAL  15          2HG2      VAL  15  -1.223   1.821   1.299
  127    H    CYS  16           H        CYS  16  -4.750  -2.206   3.214
  128    HA   CYS  16           HA       CYS  16  -6.711  -2.374   1.066
  129    HB2  CYS  16           2HB      CYS  16  -6.540  -3.859   3.706
  130    HB3  CYS  16           1HB      CYS  16  -7.878  -4.001   2.570
  131    H    ARG  17           H        ARG  17  -8.177  -0.892   1.054
  132    HA   ARG  17           HA       ARG  17  -9.227   0.168   3.536
  133    HB2  ARG  17           2HB      ARG  17  -7.291   1.620   2.885
  134    HB3  ARG  17           1HB      ARG  17  -8.090   1.934   1.354
  135    HG2  ARG  17           2HG      ARG  17  -8.434   3.791   2.836
  136    HG3  ARG  17           1HG      ARG  17  -9.970   2.961   2.577
  137    HD2  ARG  17           2HD      ARG  17  -9.661   3.572   4.925
  138    HD3  ARG  17           1HD      ARG  17  -9.744   1.824   4.725
  139    HE   ARG  17           HE       ARG  17  -7.071   2.736   4.649
  140   HH11  ARG  17          1HH1      ARG  17  -9.679   2.181   6.984
  141   HH12  ARG  17          2HH1      ARG  17  -8.609   1.792   8.266
  142   HH21  ARG  17          1HH2      ARG  17  -5.646   2.238   6.423
  143   HH22  ARG  17          2HH2      ARG  17  -6.300   1.866   7.950
  144    H    ARG  18           H        ARG  18 -11.364   0.494   3.299
  145    HA   ARG  18           HA       ARG  18 -13.419   0.719   2.455
  146    HB2  ARG  18           2HB      ARG  18 -12.420   2.716   1.293
  147    HB3  ARG  18           1HB      ARG  18 -12.072   1.702  -0.092
  148    HG2  ARG  18           2HG      ARG  18 -14.042   3.023  -0.534
  149    HG3  ARG  18           1HG      ARG  18 -14.495   1.327  -0.387
  150    HD2  ARG  18           2HD      ARG  18 -16.103   2.675   0.795
  151    HD3  ARG  18           1HD      ARG  18 -15.167   1.758   1.967
  152    HE   ARG  18           HE       ARG  18 -14.437   4.516   1.328
  153   HH11  ARG  18          1HH1      ARG  18 -15.459   2.144   3.756
  154   HH12  ARG  18          2HH1      ARG  18 -15.356   3.228   5.061
  155   HH21  ARG  18          1HH2      ARG  18 -14.320   6.012   3.141
  156   HH22  ARG  18          2HH2      ARG  18 -14.685   5.476   4.702
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -11.872  -2.446   1.839
    2    HA2  GLY   1           2HA      GLY   1 -11.856  -4.474   0.738
    3    HA3  GLY   1           1HA      GLY   1 -13.204  -3.929  -0.243
    4    H    VAL   2           H        VAL   2 -11.001  -1.487  -0.542
    5    HA   VAL   2           HA       VAL   2  -9.859  -2.834  -2.859
    6    HB   VAL   2           HB       VAL   2  -9.363  -0.672  -3.880
    7   HG11  VAL   2          1HG1      VAL   2 -11.629   0.146  -4.296
    8   HG12  VAL   2          2HG1      VAL   2 -12.198  -0.855  -2.958
    9   HG13  VAL   2          3HG1      VAL   2 -11.492  -1.612  -4.386
   10   HG21  VAL   2          3HG2      VAL   2  -8.950   0.698  -1.900
   11   HG22  VAL   2          1HG2      VAL   2 -10.658   0.608  -1.470
   12   HG23  VAL   2          2HG2      VAL   2 -10.164   1.457  -2.932
   13    H    CYS   3           H        CYS   3  -7.767  -3.105  -3.117
   14    HA   CYS   3           HA       CYS   3  -6.104  -2.246  -0.866
   15    HB2  CYS   3           2HB      CYS   3  -5.981  -4.824  -2.424
   16    HB3  CYS   3           1HB      CYS   3  -4.826  -4.333  -1.190
   17    H    ARG   4           H        ARG   4  -4.188  -1.412  -1.252
   18    HA   ARG   4           HA       ARG   4  -3.203  -1.397  -3.991
   19    HB2  ARG   4           2HB      ARG   4  -3.176   0.800  -1.931
   20    HB3  ARG   4           1HB      ARG   4  -2.020   0.771  -3.249
   21    HG2  ARG   4           2HG      ARG   4  -5.012   0.820  -3.575
   22    HG3  ARG   4           1HG      ARG   4  -3.950   2.226  -3.698
   23    HD2  ARG   4           2HD      ARG   4  -2.749   1.122  -5.557
   24    HD3  ARG   4           1HD      ARG   4  -3.865  -0.236  -5.453
   25    HE   ARG   4           HE       ARG   4  -5.359   2.069  -5.768
   26   HH11  ARG   4          1HH1      ARG   4  -3.012   0.171  -7.673
   27   HH12  ARG   4          2HH1      ARG   4  -3.709   0.603  -9.166
   28   HH21  ARG   4          1HH2      ARG   4  -6.225   2.676  -7.868
   29   HH22  ARG   4          2HH2      ARG   4  -5.515   2.018  -9.273
   30    H    ABA   5           H        ABA   5  -1.670  -2.765  -4.048
   31    HA   ABA   5           HA       ABA   5   0.097  -3.144  -1.783
   32    HB3  ABA   5           1HB      ABA   5   0.032  -4.527  -4.480
   33    HB2  ABA   5           2HB      ABA   5  -0.785  -5.120  -3.039
   34    HG1  ABA   5           3HG      ABA   5   1.294  -6.302  -3.415
   35    HG3  ABA   5           1HG      ABA   5   1.356  -5.377  -1.915
   36    HG2  ABA   5           2HG      ABA   5   2.185  -4.782  -3.351
   37    H    VAL   6           H        VAL   6   1.631  -1.738  -1.627
   38    HA   VAL   6           HA       VAL   6   2.937  -0.873  -4.066
   39    HB   VAL   6           HB       VAL   6   1.714   0.962  -3.467
   40   HG11  VAL   6          1HG1      VAL   6   1.068   0.385  -1.164
   41   HG12  VAL   6          2HG1      VAL   6   1.728   2.021  -1.180
   42   HG13  VAL   6          3HG1      VAL   6   2.717   0.675  -0.609
   43   HG21  VAL   6          3HG2      VAL   6   3.387   2.693  -2.785
   44   HG22  VAL   6          1HG2      VAL   6   3.944   1.595  -4.052
   45   HG23  VAL   6          2HG2      VAL   6   4.493   1.376  -2.394
   46    H    ABA   7           H        ABA   7   4.871  -1.013  -4.134
   47    HA   ABA   7           HA       ABA   7   6.414  -1.938  -1.812
   48    HB3  ABA   7           1HB      ABA   7   7.216  -1.902  -4.742
   49    HB2  ABA   7           2HB      ABA   7   6.565  -3.307  -3.907
   50    HG1  ABA   7           3HG      ABA   7   8.505  -3.341  -2.428
   51    HG3  ABA   7           1HG      ABA   7   9.161  -1.932  -3.262
   52    HG2  ABA   7           2HG      ABA   7   8.979  -3.460  -4.122
   53    H    ARG   8           H        ARG   8   7.030  -0.242  -0.727
   54    HA   ARG   8           HA       ARG   8   8.292   1.961  -2.198
   55    HB2  ARG   8           2HB      ARG   8   6.027   2.583  -1.386
   56    HB3  ARG   8           1HB      ARG   8   6.537   2.203   0.251
   57    HG2  ARG   8           2HG      ARG   8   8.172   3.997   0.178
   58    HG3  ARG   8           1HG      ARG   8   7.722   4.355  -1.492
   59    HD2  ARG   8           2HD      ARG   8   5.915   4.523   0.911
   60    HD3  ARG   8           1HD      ARG   8   6.634   5.892   0.063
   61    HE   ARG   8           HE       ARG   8   5.348   4.727  -1.918
   62   HH11  ARG   8          1HH1      ARG   8   4.226   5.454   1.364
   63   HH12  ARG   8          2HH1      ARG   8   2.583   5.597   0.951
   64   HH21  ARG   8          1HH2      ARG   8   3.073   4.923  -2.507
   65   HH22  ARG   8          2HH2      ARG   8   1.905   5.286  -1.342
   66    H    ARG   9           H        ARG   9  10.290   2.202  -1.620
   67    HA   ARG   9           HA       ARG   9  12.265   2.081  -0.553
   68    HB2  ARG   9           2HB      ARG   9  10.978   3.521   1.128
   69    HB3  ARG   9           1HB      ARG   9  10.677   2.056   2.041
   70    HG2  ARG   9           2HG      ARG   9  12.486   3.247   3.083
   71    HG3  ARG   9           1HG      ARG   9  13.147   1.798   2.330
   72    HD2  ARG   9           2HD      ARG   9  13.213   4.567   1.107
   73    HD3  ARG   9           1HD      ARG   9  14.546   3.834   1.995
   74    HE   ARG   9           HE       ARG   9  14.290   2.024   0.174
   75   HH11  ARG   9          1HH1      ARG   9  14.226   5.541  -0.302
   76   HH12  ARG   9          2HH1      ARG   9  14.525   5.437  -1.976
   77   HH21  ARG   9          1HH2      ARG   9  14.693   1.916  -2.140
   78   HH22  ARG   9          2HH2      ARG   9  14.773   3.361  -3.038
   79    H    GLY  10           H        GLY  10  10.929  -0.254  -1.391
   80    HA2  GLY  10           2HA      GLY  10  11.666  -2.462  -1.486
   81    HA3  GLY  10           1HA      GLY  10  12.477  -2.240   0.059
   82    H    VAL  11           H        VAL  11   9.727  -1.027   0.900
   83    HA   VAL  11           HA       VAL  11   8.874  -3.512   2.091
   84    HB   VAL  11           HB       VAL  11   7.794  -0.711   2.486
   85   HG11  VAL  11          1HG1      VAL  11   6.221  -2.446   3.163
   86   HG12  VAL  11          2HG1      VAL  11   6.862  -1.578   4.558
   87   HG13  VAL  11          3HG1      VAL  11   7.464  -3.190   4.173
   88   HG21  VAL  11          3HG2      VAL  11   9.825  -2.225   4.126
   89   HG22  VAL  11          1HG2      VAL  11   9.136  -0.651   4.528
   90   HG23  VAL  11          2HG2      VAL  11  10.153  -0.827   3.097
   91    H    ABA  12           H        ABA  12   7.474  -4.730   1.059
   92    HA   ABA  12           HA       ABA  12   5.603  -3.630  -0.865
   93    HB3  ABA  12           1HB      ABA  12   5.960  -6.486   0.110
   94    HB2  ABA  12           2HB      ABA  12   6.776  -5.801  -1.290
   95    HG1  ABA  12           3HG      ABA  12   3.804  -6.163  -0.995
   96    HG3  ABA  12           1HG      ABA  12   4.887  -7.169  -1.962
   97    HG2  ABA  12           2HG      ABA  12   4.628  -5.477  -2.395
   98    H    ARG  13           H        ARG  13   4.188  -2.447   0.274
   99    HA   ARG  13           HA       ARG  13   2.874  -3.638   2.600
  100    HB2  ARG  13           2HB      ARG  13   4.138  -1.561   2.978
  101    HB3  ARG  13           1HB      ARG  13   3.181  -0.753   1.754
  102    HG2  ARG  13           2HG      ARG  13   1.188  -1.007   3.145
  103    HG3  ARG  13           1HG      ARG  13   2.151  -1.847   4.362
  104    HD2  ARG  13           2HD      ARG  13   2.610   0.992   3.426
  105    HD3  ARG  13           1HD      ARG  13   1.822   0.514   4.930
  106    HE   ARG  13           HE       ARG  13   4.116  -0.695   5.258
  107   HH11  ARG  13          1HH1      ARG  13   3.587   2.612   4.080
  108   HH12  ARG  13          2HH1      ARG  13   5.068   3.202   4.675
  109   HH21  ARG  13          1HH2      ARG  13   6.084   0.123   6.090
  110   HH22  ARG  13          2HH2      ARG  13   6.543   1.749   5.848
  111    H    ABA  14           H        ABA  14   0.807  -4.203   2.368
  112    HA   ABA  14           HA       ABA  14  -0.663  -3.254   0.020
  113    HB3  ABA  14           1HB      ABA  14  -1.171  -5.669   1.784
  114    HB2  ABA  14           2HB      ABA  14  -0.371  -5.710   0.217
  115    HG1  ABA  14           3HG      ABA  14  -3.229  -4.911   0.711
  116    HG3  ABA  14           1HG      ABA  14  -2.672  -6.444   0.037
  117    HG2  ABA  14           2HG      ABA  14  -2.423  -4.944  -0.857
  118    H    VAL  15           H        VAL  15  -1.748  -1.523   0.537
  119    HA   VAL  15           HA       VAL  15  -2.970  -1.286   3.188
  120    HB   VAL  15           HB       VAL  15  -2.881   0.798   0.993
  121   HG11  VAL  15          1HG1      VAL  15  -3.431   1.038   3.946
  122   HG12  VAL  15          2HG1      VAL  15  -4.616   1.176   2.652
  123   HG13  VAL  15          3HG1      VAL  15  -3.333   2.382   2.811
  124   HG21  VAL  15          3HG2      VAL  15  -0.602   0.208   1.629
  125   HG22  VAL  15          1HG2      VAL  15  -1.002   0.442   3.329
  126   HG23  VAL  15          2HG2      VAL  15  -1.006   1.820   2.224
  127    H    CYS  16           H        CYS  16  -5.033  -1.858   3.412
  128    HA   CYS  16           HA       CYS  16  -6.762  -1.837   1.036
  129    HB2  CYS  16           2HB      CYS  16  -6.878  -3.681   3.429
  130    HB3  CYS  16           1HB      CYS  16  -8.001  -3.688   2.078
  131    H    ARG  17           H        ARG  17  -8.646  -0.784   1.151
  132    HA   ARG  17           HA       ARG  17  -9.913  -0.289   3.664
  133    HB2  ARG  17           2HB      ARG  17 -10.081   2.125   3.435
  134    HB3  ARG  17           1HB      ARG  17  -8.389   1.674   3.511
  135    HG2  ARG  17           2HG      ARG  17  -8.201   1.987   1.093
  136    HG3  ARG  17           1HG      ARG  17  -9.916   2.394   1.012
  137    HD2  ARG  17           2HD      ARG  17  -8.697   4.440   1.016
  138    HD3  ARG  17           1HD      ARG  17  -9.463   4.280   2.590
  139    HE   ARG  17           HE       ARG  17  -6.638   3.680   2.057
  140   HH11  ARG  17          1HH1      ARG  17  -9.110   4.799   4.332
  141   HH12  ARG  17          2HH1      ARG  17  -8.026   5.580   5.372
  142   HH21  ARG  17          1HH2      ARG  17  -5.118   4.724   3.518
  143   HH22  ARG  17          2HH2      ARG  17  -5.689   5.526   4.897
  144    H    ARG  18           H        ARG  18 -12.039  -0.372   3.391
  145    HA   ARG  18           HA       ARG  18 -14.072  -0.643   2.457
  146    HB2  ARG  18           2HB      ARG  18 -13.616   1.754   1.692
  147    HB3  ARG  18           1HB      ARG  18 -13.086   1.086   0.159
  148    HG2  ARG  18           2HG      ARG  18 -15.346   0.071  -0.102
  149    HG3  ARG  18           1HG      ARG  18 -15.846   0.938   1.348
  150    HD2  ARG  18           2HD      ARG  18 -15.295   3.056   0.257
  151    HD3  ARG  18           1HD      ARG  18 -14.809   2.176  -1.198
  152    HE   ARG  18           HE       ARG  18 -17.527   2.072  -0.083
  153   HH11  ARG  18          1HH1      ARG  18 -15.409   2.536  -2.914
  154   HH12  ARG  18          2HH1      ARG  18 -16.693   2.486  -4.033
  155   HH21  ARG  18          1HH2      ARG  18 -19.233   2.054  -1.592
  156   HH22  ARG  18          2HH2      ARG  18 -18.941   2.238  -3.263
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -10.510   0.047   1.972
    2    HA2  GLY   1           2HA      GLY   1 -11.558  -2.055   2.186
    3    HA3  GLY   1           1HA      GLY   1 -12.628  -1.607   0.873
    4    H    VAL   2           H        VAL   2  -9.941  -0.741  -0.587
    5    HA   VAL   2           HA       VAL   2  -9.707  -3.439  -1.611
    6    HB   VAL   2           HB       VAL   2  -8.796  -2.492  -3.736
    7   HG11  VAL   2          1HG1      VAL   2 -11.126  -3.088  -3.569
    8   HG12  VAL   2          2HG1      VAL   2 -10.945  -1.643  -4.566
    9   HG13  VAL   2          3HG1      VAL   2 -11.513  -1.501  -2.902
   10   HG21  VAL   2          3HG2      VAL   2  -9.104  -0.098  -4.216
   11   HG22  VAL   2          1HG2      VAL   2  -7.941  -0.352  -2.911
   12   HG23  VAL   2          2HG2      VAL   2  -9.583   0.172  -2.538
   13    H    CYS   3           H        CYS   3  -8.056  -4.609  -1.278
   14    HA   CYS   3           HA       CYS   3  -5.650  -3.485  -0.155
   15    HB2  CYS   3           2HB      CYS   3  -6.684  -6.243  -0.514
   16    HB3  CYS   3           1HB      CYS   3  -4.948  -6.031  -0.398
   17    H    ARG   4           H        ARG   4  -4.377  -2.482  -1.346
   18    HA   ARG   4           HA       ARG   4  -3.683  -3.584  -3.964
   19    HB2  ARG   4           2HB      ARG   4  -3.181  -0.824  -2.848
   20    HB3  ARG   4           1HB      ARG   4  -2.757  -1.367  -4.463
   21    HG2  ARG   4           2HG      ARG   4  -5.521  -1.042  -3.330
   22    HG3  ARG   4           1HG      ARG   4  -4.758  -0.063  -4.586
   23    HD2  ARG   4           2HD      ARG   4  -4.619  -2.082  -6.010
   24    HD3  ARG   4           1HD      ARG   4  -5.480  -2.987  -4.771
   25    HE   ARG   4           HE       ARG   4  -6.799  -0.610  -5.644
   26   HH11  ARG   4          1HH1      ARG   4  -6.443  -4.096  -6.248
   27   HH12  ARG   4          2HH1      ARG   4  -7.940  -4.244  -7.023
   28   HH21  ARG   4          1HH2      ARG   4  -8.815  -0.822  -6.714
   29   HH22  ARG   4          2HH2      ARG   4  -9.339  -2.338  -7.280
   30    H    ABA   5           H        ABA   5  -1.679  -4.155  -4.392
   31    HA   ABA   5           HA       ABA   5   0.157  -4.422  -2.164
   32    HB3  ABA   5           1HB      ABA   5   0.339  -5.466  -5.003
   33    HB2  ABA   5           2HB      ABA   5  -0.416  -6.351  -3.683
   34    HG1  ABA   5           3HG      ABA   5   1.818  -7.160  -4.115
   35    HG3  ABA   5           1HG      ABA   5   1.695  -6.443  -2.506
   36    HG2  ABA   5           2HG      ABA   5   2.468  -5.549  -3.820
   37    H    VAL   6           H        VAL   6   0.992  -2.415  -1.874
   38    HA   VAL   6           HA       VAL   6   2.175  -1.118  -4.211
   39    HB   VAL   6           HB       VAL   6   0.393   0.166  -3.367
   40   HG11  VAL   6          1HG1      VAL   6   0.257  -0.588  -1.062
   41   HG12  VAL   6          2HG1      VAL   6   0.381   1.170  -1.078
   42   HG13  VAL   6          3HG1      VAL   6   1.795   0.190  -0.685
   43   HG21  VAL   6          3HG2      VAL   6   3.033   1.443  -2.690
   44   HG22  VAL   6          1HG2      VAL   6   1.518   2.335  -2.835
   45   HG23  VAL   6          2HG2      VAL   6   2.176   1.492  -4.232
   46    H    ABA   7           H        ABA   7   4.085  -0.217  -4.053
   47    HA   ABA   7           HA       ABA   7   5.831  -1.351  -2.001
   48    HB3  ABA   7           1HB      ABA   7   6.553   0.083  -4.574
   49    HB2  ABA   7           2HB      ABA   7   6.502  -1.663  -4.375
   50    HG1  ABA   7           3HG      ABA   7   8.793  -0.831  -4.282
   51    HG3  ABA   7           1HG      ABA   7   8.307  -1.539  -2.740
   52    HG2  ABA   7           2HG      ABA   7   8.359   0.212  -2.926
   53    H    ARG   8           H        ARG   8   5.890  -0.155  -0.292
   54    HA   ARG   8           HA       ARG   8   6.366   2.717  -0.594
   55    HB2  ARG   8           2HB      ARG   8   5.077   3.111   1.443
   56    HB3  ARG   8           1HB      ARG   8   4.061   2.338   0.238
   57    HG2  ARG   8           2HG      ARG   8   4.286   0.212   1.391
   58    HG3  ARG   8           1HG      ARG   8   5.379   0.940   2.565
   59    HD2  ARG   8           2HD      ARG   8   3.523   2.535   3.133
   60    HD3  ARG   8           1HD      ARG   8   2.462   1.542   2.134
   61    HE   ARG   8           HE       ARG   8   3.879   0.024   4.071
   62   HH11  ARG   8          1HH1      ARG   8   1.061   2.106   3.647
   63   HH12  ARG   8          2HH1      ARG   8   0.234   1.530   5.021
   64   HH21  ARG   8          1HH2      ARG   8   2.754  -0.799   5.936
   65   HH22  ARG   8          2HH2      ARG   8   1.217  -0.206   6.339
   66    H    ARG   9           H        ARG   9   8.118   3.416   0.503
   67    HA   ARG   9           HA       ARG   9  10.069   3.385   1.657
   68    HB2  ARG   9           2HB      ARG   9   8.403   3.202   3.565
   69    HB3  ARG   9           1HB      ARG   9   8.609   1.463   3.512
   70    HG2  ARG   9           2HG      ARG   9   9.846   2.459   5.356
   71    HG3  ARG   9           1HG      ARG   9  10.947   1.725   4.190
   72    HD2  ARG   9           2HD      ARG   9  11.452   3.885   3.246
   73    HD3  ARG   9           1HD      ARG   9  10.258   4.658   4.290
   74    HE   ARG   9           HE       ARG   9  11.907   3.471   6.037
   75   HH11  ARG   9          1HH1      ARG   9  12.518   5.595   3.310
   76   HH12  ARG   9          2HH1      ARG   9  13.908   6.325   3.981
   77   HH21  ARG   9          1HH2      ARG   9  13.836   4.508   7.008
   78   HH22  ARG   9          2HH2      ARG   9  14.645   5.707   6.117
   79    H    GLY  10           H        GLY  10   9.629   1.496  -0.490
   80    HA2  GLY  10           2HA      GLY  10  10.910  -0.087  -1.561
   81    HA3  GLY  10           1HA      GLY  10  11.935  -0.168  -0.132
   82    H    VAL  11           H        VAL  11   8.748  -0.585   0.753
   83    HA   VAL  11           HA       VAL  11   9.076  -3.487   0.927
   84    HB   VAL  11           HB       VAL  11   7.322  -1.616   2.545
   85   HG11  VAL  11          1HG1      VAL  11   6.377  -3.849   2.382
   86   HG12  VAL  11          2HG1      VAL  11   6.937  -3.514   4.015
   87   HG13  VAL  11          3HG1      VAL  11   7.895  -4.546   2.951
   88   HG21  VAL  11          3HG2      VAL  11   9.898  -2.970   3.330
   89   HG22  VAL  11          1HG2      VAL  11   8.851  -2.051   4.409
   90   HG23  VAL  11          2HG2      VAL  11   9.662  -1.242   3.068
   91    H    ABA  12           H        ABA  12   7.860  -4.536  -0.492
   92    HA   ABA  12           HA       ABA  12   5.517  -3.372  -1.698
   93    HB3  ABA  12           1HB      ABA  12   6.523  -6.235  -1.756
   94    HB2  ABA  12           2HB      ABA  12   7.040  -4.987  -2.885
   95    HG1  ABA  12           3HG      ABA  12   4.247  -6.021  -2.586
   96    HG3  ABA  12           1HG      ABA  12   5.373  -6.424  -3.879
   97    HG2  ABA  12           2HG      ABA  12   4.778  -4.772  -3.715
   98    H    ARG  13           H        ARG  13   3.884  -3.064  -0.303
   99    HA   ARG  13           HA       ARG  13   3.208  -5.236   1.575
  100    HB2  ARG  13           2HB      ARG  13   4.335  -2.955   2.375
  101    HB3  ARG  13           1HB      ARG  13   2.709  -2.346   2.207
  102    HG2  ARG  13           2HG      ARG  13   3.516  -4.644   3.988
  103    HG3  ARG  13           1HG      ARG  13   3.312  -2.982   4.520
  104    HD2  ARG  13           2HD      ARG  13   0.937  -3.102   3.853
  105    HD3  ARG  13           1HD      ARG  13   1.170  -4.789   3.401
  106    HE   ARG  13           HE       ARG  13   2.056  -4.600   5.986
  107   HH11  ARG  13          1HH1      ARG  13  -1.060  -4.208   4.337
  108   HH12  ARG  13          2HH1      ARG  13  -1.974  -4.385   5.754
  109   HH21  ARG  13          1HH2      ARG  13   0.793  -4.919   7.875
  110   HH22  ARG  13          2HH2      ARG  13  -0.913  -4.826   7.832
  111    H    ABA  14           H        ABA  14   1.080  -5.795   1.550
  112    HA   ABA  14           HA       ABA  14  -0.660  -4.502  -0.385
  113    HB3  ABA  14           1HB      ABA  14  -1.009  -7.020   1.266
  114    HB2  ABA  14           2HB      ABA  14  -0.405  -6.967  -0.384
  115    HG1  ABA  14           3HG      ABA  14  -3.147  -6.183   0.522
  116    HG3  ABA  14           1HG      ABA  14  -2.716  -7.661  -0.340
  117    HG2  ABA  14           2HG      ABA  14  -2.556  -6.093  -1.141
  118    H    VAL  15           H        VAL  15  -1.943  -2.924   0.268
  119    HA   VAL  15           HA       VAL  15  -2.935  -3.001   3.036
  120    HB   VAL  15           HB       VAL  15  -2.884  -0.519   3.104
  121   HG11  VAL  15          1HG1      VAL  15  -0.214  -1.789   2.560
  122   HG12  VAL  15          2HG1      VAL  15  -1.068  -1.772   4.104
  123   HG13  VAL  15          3HG1      VAL  15  -0.468  -0.265   3.411
  124   HG21  VAL  15          3HG2      VAL  15  -1.540   0.735   1.460
  125   HG22  VAL  15          1HG2      VAL  15  -2.941  -0.036   0.709
  126   HG23  VAL  15          2HG2      VAL  15  -1.339  -0.740   0.515
  127    H    CYS  16           H        CYS  16  -5.051  -2.738   3.341
  128    HA   CYS  16           HA       CYS  16  -6.756  -2.324   1.020
  129    HB2  CYS  16           2HB      CYS  16  -7.272  -3.295   3.821
  130    HB3  CYS  16           1HB      CYS  16  -8.587  -2.649   2.861
  131    H    ARG  17           H        ARG  17  -6.970  -0.387   0.440
  132    HA   ARG  17           HA       ARG  17  -7.716   1.565   2.470
  133    HB2  ARG  17           2HB      ARG  17  -6.800   3.318   0.951
  134    HB3  ARG  17           1HB      ARG  17  -5.578   2.215   1.543
  135    HG2  ARG  17           2HG      ARG  17  -5.653   1.028  -0.630
  136    HG3  ARG  17           1HG      ARG  17  -6.805   2.239  -1.205
  137    HD2  ARG  17           2HD      ARG  17  -5.174   4.004  -0.801
  138    HD3  ARG  17           1HD      ARG  17  -4.039   2.813  -0.179
  139    HE   ARG  17           HE       ARG  17  -4.993   2.461  -2.894
  140   HH11  ARG  17          1HH1      ARG  17  -2.381   3.539  -0.746
  141   HH12  ARG  17          2HH1      ARG  17  -1.200   3.564  -1.982
  142   HH21  ARG  17          1HH2      ARG  17  -3.329   2.472  -4.577
  143   HH22  ARG  17          2HH2      ARG  17  -1.742   2.940  -4.163
  144    H    ARG  18           H        ARG  18  -9.669   2.304   2.300
  145    HA   ARG  18           HA       ARG  18 -11.797   2.614   1.638
  146    HB2  ARG  18           2HB      ARG  18 -10.667   3.889  -0.274
  147    HB3  ARG  18           1HB      ARG  18 -10.818   2.424  -1.233
  148    HG2  ARG  18           2HG      ARG  18 -13.282   2.543  -0.886
  149    HG3  ARG  18           1HG      ARG  18 -13.034   4.107  -0.109
  150    HD2  ARG  18           2HD      ARG  18 -11.953   4.909  -2.186
  151    HD3  ARG  18           1HD      ARG  18 -12.322   3.356  -2.926
  152    HE   ARG  18           HE       ARG  18 -14.570   4.759  -1.807
  153   HH11  ARG  18          1HH1      ARG  18 -12.705   4.047  -4.734
  154   HH12  ARG  18          2HH1      ARG  18 -13.921   4.607  -5.791
  155   HH21  ARG  18          1HH2      ARG  18 -16.224   5.499  -3.274
  156   HH22  ARG  18          2HH2      ARG  18 -15.936   5.416  -4.962