*HEADER    ANTIMICROBIAL PROTEIN                   03-JAN-13   2M2X              
*TITLE     SOLUTION STRUCTURE OF THE ANTIMICROBIAL PEPTIDE [ABA3,5,7,12,14,      
*TITLE    2 16]BTD-2                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: [ABA3,5,7,12,14,16]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 2M2X    0                                                


! H proton - H proton
assign (resid   9 and name   HN)   (resid   9 and name  HB1)   2.945    1.145    1.145  
assign (resid   9 and name   HN)   (resid   9 and name  HB2)   2.610    0.810    0.810  
assign (resid  11 and name   HN)   (resid  11 and name   HB)   2.830    1.030    1.030  
assign (resid   6 and name   HN)   (resid   6 and name   HB)   2.780    0.980    0.980  
assign (resid   8 and name   HN)   (resid   8 and name   HA)   2.335    0.535    0.535  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.705    0.905    0.905  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.705    0.905    0.905  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.750    0.950    0.950  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.750    0.950    0.950  
assign (resid   8 and name   HN)   (resid   8 and name  HB1)   2.830    1.030    1.030  
assign (resid   8 and name   HN)   (resid   8 and name  HB2)   2.625    0.825    0.825  
assign (resid  12 and name   HN)   (resid  12 and name   HA)   2.365    0.565    0.565  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   2.595    0.795    0.795  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.255    0.455    0.455  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.255    0.455    0.455  
assign (resid  11 and name   HB)   (resid  12 and name   HN)   2.955    1.455    1.455  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.845    1.045    1.045  
assign (resid   8 and name   HN)   (resid  12 and name   HA)   2.875    1.075    1.075  
assign (resid  12 and name   HA)   (resid  13 and name   HN)   2.270    0.470    0.470  
assign (resid  14 and name   HN)   (resid  13 and name   HA)   2.270    0.470    0.470  
assign (resid   5 and name   HA)   (resid   6 and name   HN)   2.270    0.470    0.470  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.255    0.455    0.455  
assign (resid   6 and name   HB)   (resid   7 and name   HN)   2.875    1.075    1.075  
assign (resid   7 and name   HA)   (resid   8 and name   HN)   2.300    0.500    0.500  
assign (resid   8 and name   HN)   (resid  11 and name   HN)   3.060    1.260    1.260  
assign (resid   8 and name   HN)   (resid   9 and name   HN)   3.055    1.255    1.255  
assign (resid   8 and name   HA)   (resid   9 and name   HN)   2.270    0.470    0.470  
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#)   4.090    2.290    2.290  
assign (resid   8 and name   HN)   (resid   8 and name  HD#)   4.090    2.290    2.290  
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#)   4.090    2.290    2.290  
assign (resid   8 and name   HN)   (resid   8 and name  HG2)   3.650    1.850    1.850  
assign (resid   8 and name   HN)   (resid   8 and name  HG1)   3.650    1.850    1.850  
assign (resid   9 and name   HA)   (resid   9 and name   HE)   3.650    1.850    1.850  
assign (resid   8 and name   HA)   (resid   8 and name   HE)   3.650    1.850    1.850  
assign (resid  13 and name   HA)   (resid  13 and name   HE)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  12 and name  HB#)   4.090    2.290    2.290  
assign (resid  11 and name   HN)   (resid  11 and name  HG*)   4.590    2.790    2.790  
assign (resid   6 and name   HN)   (resid   6 and name  HG*)   4.560    2.760    2.760  
assign (resid   7 and name   HN)   (resid   7 and name  HG#)   4.160    2.360    2.360  
assign (resid   5 and name   HN)   (resid   5 and name  HG#)   4.050    2.250    2.250  
assign (resid  12 and name   HN)   (resid  12 and name  HG#)   3.460    1.660    1.660  
assign (resid   7 and name   HN)   (resid  12 and name  HG#)   3.680    1.880    1.880  
assign (resid   6 and name  HG*)   (resid   8 and name   HN)   4.700    2.900    2.900  
assign (resid   5 and name   HN)   (resid  13 and name  HB#)   3.370    1.570    1.570  
assign (resid   8 and name  HB2)   (resid   8 and name  HG#)   2.065    0.265    0.265  
assign (resid   8 and name  HB1)   (resid   8 and name  HG#)   2.120    0.320    0.320  
assign (resid  10 and name  HA#)   (resid  11 and name   HN)   2.440    0.640    0.640  
assign (resid  13 and name   HN)   (resid  13 and name  HB#)   2.410    0.610    0.610  
assign (resid  18 and name   HN)   (resid  18 and name  HB1)   2.945    1.145    1.145  
assign (resid  18 and name   HN)   (resid  18 and name  HB2)   2.610    0.810    0.810  
assign (resid   2 and name   HN)   (resid   2 and name   HB)   2.830    1.030    1.030  
assign (resid  15 and name   HN)   (resid  15 and name   HB)   2.780    0.980    0.980  
assign (resid  17 and name   HN)   (resid  17 and name   HA)   2.335    0.535    0.535  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.705    0.905    0.905  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.705    0.905    0.905  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.750    0.950    0.950  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.750    0.950    0.950  
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.830    1.030    1.030  
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   2.625    0.825    0.825  
assign (resid   3 and name   HN)   (resid   3 and name   HA)   2.365    0.565    0.565  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.595    0.795    0.795  
assign (resid  18 and name   HA)   (resid   1 and name   HN)   2.255    0.455    0.455  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.255    0.455    0.455  
assign (resid   2 and name   HB)   (resid   3 and name   HN)   2.955    1.455    1.455  
assign (resid   2 and name   HN)   (resid   3 and name   HN)   2.845    1.045    1.045  
assign (resid  17 and name   HN)   (resid   3 and name   HA)   2.875    1.075    1.075  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.270    0.470    0.470  
assign (resid   5 and name   HN)   (resid   4 and name   HA)   2.270    0.470    0.470  
assign (resid  14 and name   HA)   (resid  15 and name   HN)   2.270    0.470    0.470  
assign (resid  15 and name   HA)   (resid  16 and name   HN)   2.255    0.455    0.455  
assign (resid  15 and name   HB)   (resid  16 and name   HN)   2.875    1.075    1.075  
assign (resid  16 and name   HA)   (resid  17 and name   HN)   2.300    0.500    0.500  
assign (resid  17 and name   HN)   (resid   2 and name   HN)   3.060    1.260    1.260  
assign (resid  17 and name   HN)   (resid  18 and name   HN)   3.055    1.255    1.255  
assign (resid  17 and name   HA)   (resid  18 and name   HN)   2.270    0.470    0.470  
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#)   4.090    2.290    2.290  
assign (resid  17 and name   HN)   (resid  17 and name  HD#)   4.090    2.290    2.290  
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#)   4.090    2.290    2.290  
assign (resid  17 and name   HN)   (resid  17 and name  HG2)   3.650    1.850    1.850  
assign (resid  17 and name   HN)   (resid  17 and name  HG1)   3.650    1.850    1.850  
assign (resid  18 and name   HA)   (resid  18 and name   HE)   3.650    1.850    1.850  
assign (resid  17 and name   HA)   (resid  17 and name   HE)   3.650    1.850    1.850  
assign (resid   4 and name   HA)   (resid   4 and name   HE)   3.650    1.850    1.850  
assign (resid  15 and name   HN)   (resid   3 and name  HB#)   4.090    2.290    2.290  
assign (resid   2 and name   HN)   (resid   2 and name  HG*)   4.590    2.790    2.790  
assign (resid  15 and name   HN)   (resid  15 and name  HG*)   4.560    2.760    2.760  
assign (resid  12 and name   HN)   (resid  12 and name  HG#)   4.160    2.360    2.360  
assign (resid  14 and name   HN)   (resid  14 and name  HG#)   4.050    2.250    2.250  
assign (resid   3 and name   HN)   (resid   3 and name  HG#)   3.460    1.660    1.660  
assign (resid  16 and name   HN)   (resid   3 and name  HG#)   3.680    1.880    1.880  
assign (resid  15 and name  HG*)   (resid  17 and name   HN)   4.700    2.900    2.900  
assign (resid  14 and name   HN)   (resid   4 and name  HB#)   3.370    1.570    1.570  
assign (resid  17 and name  HB2)   (resid  17 and name  HG#)   2.065    0.265    0.265  
assign (resid  17 and name  HB1)   (resid  17 and name  HG#)   2.120    0.320    0.320  
assign (resid   1 and name  HA#)   (resid   2 and name   HN)   2.440    0.640    0.640  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.410    0.610    0.610  
!
!Dihedral angles
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -89.8   60.1 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  130.4   52.1 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0 -102.6   32.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  131.3   48.7 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -97.1   45.6 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  140.8   46.2 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0 -114.4   47.7 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0 -109.2   52.4 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  129.5   34.9 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0 -105.1   54.4 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  126.7   68.4 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  131.6   33.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name CB   ) (resid    8 and name CG   )    1.0  -60.0   30.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -85.1   39.5 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name CB   ) (resid    9 and name CG   )    1.0  -60.0   30.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -97.1   45.6 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  140.8   46.2 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0 -114.4   47.7 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0 -109.2   52.4 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  129.5   34.9 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0 -108.3   58.4 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  131.0   66.6 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  132.5   31.7 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name CB   ) (resid   17 and name CG   )    1.0  -60.0   30.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name CB   ) (resid   18 and name CG   )    1.0  -60.0   30.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1 -11.350  -0.350  -0.409
    2    HA2  GLY   1           2HA      GLY   1 -12.843  -2.317  -1.095
    3    HA3  GLY   1           1HA      GLY   1 -12.821  -1.503  -2.659
    4    H    VAL   2           H        VAL   2 -10.010  -0.544  -1.900
    5    HA   VAL   2           HA       VAL   2  -8.529  -2.955  -1.927
    6    HB   VAL   2           HB       VAL   2  -9.011  -2.881  -4.302
    7   HG11  VAL   2          1HG1      VAL   2  -8.339  -1.070  -5.779
    8   HG12  VAL   2          2HG1      VAL   2  -7.806  -0.137  -4.388
    9   HG13  VAL   2          3HG1      VAL   2  -9.517  -0.529  -4.579
   10   HG21  VAL   2          3HG2      VAL   2  -6.739  -2.845  -5.251
   11   HG22  VAL   2          1HG2      VAL   2  -6.808  -3.693  -3.705
   12   HG23  VAL   2          2HG2      VAL   2  -6.156  -2.056  -3.783
   13    H    ABA   3           H        ABA   3  -7.234  -2.534  -0.336
   14    HA   ABA   3           HA       ABA   3  -5.633  -0.076  -0.398
   15    HB3  ABA   3           1HB      ABA   3  -5.521  -0.225   2.074
   16    HB2  ABA   3           2HB      ABA   3  -6.629  -1.588   2.036
   17    HG1  ABA   3           3HG      ABA   3  -7.268   1.218   1.176
   18    HG3  ABA   3           1HG      ABA   3  -7.782   0.435   2.671
   19    HG2  ABA   3           2HG      ABA   3  -8.361  -0.156   1.107
   20    H    ARG   4           H        ARG   4  -3.476  -0.404  -0.221
   21    HA   ARG   4           HA       ARG   4  -2.642  -3.212  -0.051
   22    HB2  ARG   4           2HB      ARG   4  -1.143  -0.828  -1.147
   23    HB3  ARG   4           1HB      ARG   4  -0.529  -2.475  -1.092
   24    HG2  ARG   4           2HG      ARG   4  -2.884  -1.490  -2.688
   25    HG3  ARG   4           1HG      ARG   4  -1.306  -1.968  -3.313
   26    HD2  ARG   4           2HD      ARG   4  -1.713  -4.258  -2.425
   27    HD3  ARG   4           1HD      ARG   4  -3.324  -3.741  -1.944
   28    HE   ARG   4           HE       ARG   4  -3.183  -3.116  -4.564
   29   HH11  ARG   4          1HH1      ARG   4  -2.655  -6.099  -2.737
   30   HH12  ARG   4          2HH1      ARG   4  -3.187  -7.126  -3.972
   31   HH21  ARG   4          1HH2      ARG   4  -3.949  -4.533  -6.275
   32   HH22  ARG   4          2HH2      ARG   4  -3.926  -6.213  -6.024
   33    H    ABA   5           H        ABA   5  -0.818  -3.770   1.199
   34    HA   ABA   5           HA       ABA   5  -0.203  -1.876   3.343
   35    HB3  ABA   5           1HB      ABA   5  -0.165  -3.766   4.915
   36    HB2  ABA   5           2HB      ABA   5  -0.624  -4.868   3.626
   37    HG1  ABA   5           3HG      ABA   5  -2.529  -4.324   5.052
   38    HG3  ABA   5           1HG      ABA   5  -2.770  -3.733   3.407
   39    HG2  ABA   5           2HG      ABA   5  -2.314  -2.612   4.683
   40    H    VAL   6           H        VAL   6   1.644  -1.369   2.055
   41    HA   VAL   6           HA       VAL   6   3.799  -3.332   2.281
   42    HB   VAL   6           HB       VAL   6   3.565  -1.330   0.047
   43   HG11  VAL   6          1HG1      VAL   6   5.330  -2.687  -1.028
   44   HG12  VAL   6          2HG1      VAL   6   5.410  -3.679   0.430
   45   HG13  VAL   6          3HG1      VAL   6   5.823  -1.964   0.502
   46   HG21  VAL   6          3HG2      VAL   6   3.012  -3.190  -1.491
   47   HG22  VAL   6          1HG2      VAL   6   1.761  -2.927  -0.273
   48   HG23  VAL   6          2HG2      VAL   6   2.891  -4.269  -0.099
   49    H    ABA   7           H        ABA   7   5.365  -2.514   3.451
   50    HA   ABA   7           HA       ABA   7   5.613   0.372   3.670
   51    HB3  ABA   7           1HB      ABA   7   4.372  -0.203   5.608
   52    HB2  ABA   7           2HB      ABA   7   6.052  -0.029   6.114
   53    HG1  ABA   7           3HG      ABA   7   5.004  -1.925   7.206
   54    HG3  ABA   7           1HG      ABA   7   6.339  -2.427   6.168
   55    HG2  ABA   7           2HG      ABA   7   4.672  -2.653   5.634
   56    H    ARG   8           H        ARG   8   7.332  -0.315   2.042
   57    HA   ARG   8           HA       ARG   8   9.682  -1.376   3.399
   58    HB2  ARG   8           2HB      ARG   8   9.030  -1.407   0.446
   59    HB3  ARG   8           1HB      ARG   8  10.408  -2.170   1.221
   60    HG2  ARG   8           2HG      ARG   8   7.517  -2.937   1.563
   61    HG3  ARG   8           1HG      ARG   8   8.733  -3.824   0.648
   62    HD2  ARG   8           2HD      ARG   8   9.961  -4.302   2.670
   63    HD3  ARG   8           1HD      ARG   8   8.882  -3.276   3.612
   64    HE   ARG   8           HE       ARG   8   7.697  -5.496   2.184
   65   HH11  ARG   8          1HH1      ARG   8   8.885  -4.275   5.312
   66   HH12  ARG   8          2HH1      ARG   8   7.960  -5.366   6.226
   67   HH21  ARG   8          1HH2      ARG   8   6.466  -7.004   3.475
   68   HH22  ARG   8          2HH2      ARG   8   6.596  -6.948   5.177
   69    H    ARG   9           H        ARG   9  11.675  -0.495   2.448
   70    HA   ARG   9           HA       ARG   9  11.486   2.374   2.422
   71    HB2  ARG   9           2HB      ARG   9  13.921   0.602   2.133
   72    HB3  ARG   9           1HB      ARG   9  13.962   2.353   2.286
   73    HG2  ARG   9           2HG      ARG   9  12.814   2.109   4.489
   74    HG3  ARG   9           1HG      ARG   9  13.030   0.368   4.328
   75    HD2  ARG   9           2HD      ARG   9  15.247   2.398   4.301
   76    HD3  ARG   9           1HD      ARG   9  14.773   1.444   5.703
   77    HE   ARG   9           HE       ARG   9  15.311  -0.371   3.710
   78   HH11  ARG   9          1HH1      ARG   9  17.154   2.242   5.259
   79   HH12  ARG   9          2HH1      ARG   9  18.618   1.402   5.208
   80   HH21  ARG   9          1HH2      ARG   9  17.354  -1.497   3.641
   81   HH22  ARG   9          2HH2      ARG   9  18.746  -0.774   4.287
   82    H    GLY  10           H        GLY  10  10.659   3.165   0.693
   83    HA2  GLY  10           2HA      GLY  10  11.303   4.066  -1.464
   84    HA3  GLY  10           1HA      GLY  10  11.860   2.447  -1.886
   85    H    VAL  11           H        VAL  11   9.567   1.248  -0.460
   86    HA   VAL  11           HA       VAL  11   7.481   1.870  -2.423
   87    HB   VAL  11           HB       VAL  11   8.106  -0.929  -1.420
   88   HG11  VAL  11          1HG1      VAL  11   6.284   0.001  -3.628
   89   HG12  VAL  11          2HG1      VAL  11   5.781  -0.604  -2.051
   90   HG13  VAL  11          3HG1      VAL  11   6.596  -1.677  -3.189
   91   HG21  VAL  11          3HG2      VAL  11   9.950  -0.185  -2.841
   92   HG22  VAL  11          1HG2      VAL  11   8.802   0.284  -4.096
   93   HG23  VAL  11          2HG2      VAL  11   8.993  -1.417  -3.666
   94    H    ABA  12           H        ABA  12   6.239   3.021  -1.045
   95    HA   ABA  12           HA       ABA  12   5.305   1.704   1.394
   96    HB3  ABA  12           1HB      ABA  12   4.571   4.013   2.063
   97    HB2  ABA  12           2HB      ABA  12   5.410   4.635   0.646
   98    HG1  ABA  12           3HG      ABA  12   6.788   4.911   2.593
   99    HG3  ABA  12           1HG      ABA  12   7.504   3.720   1.510
  100    HG2  ABA  12           2HG      ABA  12   6.657   3.192   2.966
  101    H    ARG  13           H        ARG  13   3.089   2.010   1.860
  102    HA   ARG  13           HA       ARG  13   1.600   1.553  -0.518
  103    HB2  ARG  13           2HB      ARG  13  -0.305   0.973   1.083
  104    HB3  ARG  13           1HB      ARG  13   1.107  -0.059   1.057
  105    HG2  ARG  13           2HG      ARG  13   0.726   0.093   3.323
  106    HG3  ARG  13           1HG      ARG  13   1.838   1.436   3.111
  107    HD2  ARG  13           2HD      ARG  13   0.024   2.128   4.523
  108    HD3  ARG  13           1HD      ARG  13  -0.126   2.954   2.971
  109    HE   ARG  13           HE       ARG  13  -1.602   0.607   2.834
  110   HH11  ARG  13          1HH1      ARG  13  -1.714   3.658   4.612
  111   HH12  ARG  13          2HH1      ARG  13  -3.400   3.676   4.824
  112   HH21  ARG  13          1HH2      ARG  13  -3.923   0.586   3.129
  113   HH22  ARG  13          2HH2      ARG  13  -4.687   1.850   3.986
  114    H    ABA  14           H        ABA  14   1.368   3.295  -1.606
  115    HA   ABA  14           HA       ABA  14  -0.260   5.430  -0.447
  116    HB3  ABA  14           1HB      ABA  14   0.388   6.744  -2.470
  117    HB2  ABA  14           2HB      ABA  14   1.331   5.361  -3.015
  118    HG1  ABA  14           3HG      ABA  14   1.839   6.945  -0.512
  119    HG3  ABA  14           1HG      ABA  14   2.751   7.052  -2.018
  120    HG2  ABA  14           2HG      ABA  14   2.781   5.564  -1.076
  121    H    VAL  15           H        VAL  15  -1.085   2.854  -1.228
  122    HA   VAL  15           HA       VAL  15  -3.126   3.491  -3.261
  123    HB   VAL  15           HB       VAL  15  -2.217   0.763  -2.496
  124   HG11  VAL  15          1HG1      VAL  15  -3.372   0.041  -4.584
  125   HG12  VAL  15          2HG1      VAL  15  -3.912   1.707  -4.805
  126   HG13  VAL  15          3HG1      VAL  15  -4.440   0.787  -3.396
  127   HG21  VAL  15          3HG2      VAL  15  -1.335   2.332  -4.926
  128   HG22  VAL  15          1HG2      VAL  15  -0.984   0.625  -4.658
  129   HG23  VAL  15          2HG2      VAL  15  -0.318   1.845  -3.571
  130    H    ABA  16           H        ABA  16  -4.791   3.924  -2.177
  131    HA   ABA  16           HA       ABA  16  -5.857   2.122  -0.177
  132    HB3  ABA  16           1HB      ABA  16  -5.353   5.047   0.461
  133    HB2  ABA  16           2HB      ABA  16  -4.446   3.698   1.125
  134    HG1  ABA  16           3HG      ABA  16  -7.379   4.191   1.584
  135    HG3  ABA  16           1HG      ABA  16  -6.077   4.564   2.715
  136    HG2  ABA  16           2HG      ABA  16  -6.414   2.890   2.281
  137    H    ARG  17           H        ARG  17  -7.517   1.749  -1.682
  138    HA   ARG  17           HA       ARG  17  -9.337   3.990  -2.074
  139    HB2  ARG  17           2HB      ARG  17  -9.013   1.447  -3.665
  140    HB3  ARG  17           1HB      ARG  17 -10.279   2.627  -3.928
  141    HG2  ARG  17           2HG      ARG  17  -8.516   4.290  -4.496
  142    HG3  ARG  17           1HG      ARG  17  -7.333   2.985  -4.376
  143    HD2  ARG  17           2HD      ARG  17  -8.492   1.731  -6.089
  144    HD3  ARG  17           1HD      ARG  17  -9.741   2.968  -6.180
  145    HE   ARG  17           HE       ARG  17  -7.357   4.228  -6.661
  146   HH11  ARG  17          1HH1      ARG  17  -9.239   1.616  -8.137
  147   HH12  ARG  17          2HH1      ARG  17  -8.697   1.924  -9.728
  148   HH21  ARG  17          1HH2      ARG  17  -6.625   4.662  -8.889
  149   HH22  ARG  17          2HH2      ARG  17  -7.166   3.662 -10.145
  150    H    ARG  18           H        ARG  18 -11.553   3.351  -1.877
  151    HA   ARG  18           HA       ARG  18 -11.930   1.567   0.359
  152    HB2  ARG  18           2HB      ARG  18 -13.993   3.101  -1.241
  153    HB3  ARG  18           1HB      ARG  18 -14.264   2.322   0.314
  154    HG2  ARG  18           2HG      ARG  18 -12.437   4.660  -0.221
  155    HG3  ARG  18           1HG      ARG  18 -13.984   4.709   0.627
  156    HD2  ARG  18           2HD      ARG  18 -13.115   3.316   2.382
  157    HD3  ARG  18           1HD      ARG  18 -11.595   3.101   1.523
  158    HE   ARG  18           HE       ARG  18 -11.989   5.808   1.878
  159   HH11  ARG  18          1HH1      ARG  18 -11.384   2.936   3.858
  160   HH12  ARG  18          2HH1      ARG  18 -10.577   3.765   5.105
  161   HH21  ARG  18          1HH2      ARG  18 -10.813   6.960   3.548
  162   HH22  ARG  18          2HH2      ARG  18 -10.227   6.111   4.907
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1 -10.298  -1.720  -1.914
    2    HA2  GLY   1           2HA      GLY   1 -10.834  -3.592  -3.592
    3    HA3  GLY   1           1HA      GLY   1 -10.661  -2.286  -4.765
    4    H    VAL   2           H        VAL   2  -8.638  -0.842  -3.782
    5    HA   VAL   2           HA       VAL   2  -6.480  -2.743  -3.392
    6    HB   VAL   2           HB       VAL   2  -6.317  -2.034  -5.689
    7   HG11  VAL   2          1HG1      VAL   2  -7.442   0.085  -5.680
    8   HG12  VAL   2          2HG1      VAL   2  -5.841   0.287  -6.379
    9   HG13  VAL   2          3HG1      VAL   2  -6.155   0.814  -4.724
   10   HG21  VAL   2          3HG2      VAL   2  -4.004  -1.147  -5.756
   11   HG22  VAL   2          1HG2      VAL   2  -4.213  -2.461  -4.592
   12   HG23  VAL   2          2HG2      VAL   2  -4.120  -0.789  -4.035
   13    H    ABA   3           H        ABA   3  -6.789  -2.413  -1.280
   14    HA   ABA   3           HA       ABA   3  -5.908   0.140  -0.178
   15    HB3  ABA   3           1HB      ABA   3  -7.031  -2.294   1.253
   16    HB2  ABA   3           2HB      ABA   3  -7.969  -0.886   0.770
   17    HG1  ABA   3           3HG      ABA   3  -6.646   0.508   2.290
   18    HG3  ABA   3           1HG      ABA   3  -5.732  -0.915   2.786
   19    HG2  ABA   3           2HG      ABA   3  -7.458  -0.808   3.138
   20    H    ARG   4           H        ARG   4  -3.787  -0.061  -0.793
   21    HA   ARG   4           HA       ARG   4  -2.244  -2.266   0.402
   22    HB2  ARG   4           2HB      ARG   4  -2.064  -1.749  -2.109
   23    HB3  ARG   4           1HB      ARG   4  -1.256  -0.264  -1.607
   24    HG2  ARG   4           2HG      ARG   4   0.493  -1.723  -2.111
   25    HG3  ARG   4           1HG      ARG   4   0.376  -1.769  -0.355
   26    HD2  ARG   4           2HD      ARG   4  -0.786  -3.812  -2.253
   27    HD3  ARG   4           1HD      ARG   4   0.727  -4.000  -1.380
   28    HE   ARG   4           HE       ARG   4  -0.974  -3.704   0.652
   29   HH11  ARG   4          1HH1      ARG   4  -1.331  -5.656  -2.299
   30   HH12  ARG   4          2HH1      ARG   4  -2.244  -6.867  -1.566
   31   HH21  ARG   4          1HH2      ARG   4  -2.226  -5.402   1.676
   32   HH22  ARG   4          2HH2      ARG   4  -2.754  -6.727   0.766
   33    H    ABA   5           H        ABA   5  -1.689  -1.631   2.404
   34    HA   ABA   5           HA       ABA   5  -0.460   1.003   2.708
   35    HB3  ABA   5           1HB      ABA   5  -1.278   0.985   5.059
   36    HB2  ABA   5           2HB      ABA   5  -2.146  -0.507   4.719
   37    HG1  ABA   5           3HG      ABA   5  -3.536   0.658   3.091
   38    HG3  ABA   5           1HG      ABA   5  -2.666   2.157   3.412
   39    HG2  ABA   5           2HG      ABA   5  -3.637   1.410   4.681
   40    H    VAL   6           H        VAL   6   1.561   0.046   2.243
   41    HA   VAL   6           HA       VAL   6   2.689  -1.460   4.457
   42    HB   VAL   6           HB       VAL   6   4.094  -2.741   2.823
   43   HG11  VAL   6          1HG1      VAL   6   2.373  -4.419   2.257
   44   HG12  VAL   6          2HG1      VAL   6   1.136  -3.238   2.690
   45   HG13  VAL   6          3HG1      VAL   6   2.245  -3.841   3.922
   46   HG21  VAL   6          3HG2      VAL   6   3.808  -1.366   0.843
   47   HG22  VAL   6          1HG2      VAL   6   2.087  -1.748   0.804
   48   HG23  VAL   6          2HG2      VAL   6   3.284  -3.011   0.504
   49    H    ABA   7           H        ABA   7   4.652  -0.727   5.095
   50    HA   ABA   7           HA       ABA   7   5.883   1.387   3.503
   51    HB3  ABA   7           1HB      ABA   7   7.063   1.949   5.598
   52    HB2  ABA   7           2HB      ABA   7   6.251   0.620   6.412
   53    HG1  ABA   7           3HG      ABA   7   4.916   3.049   5.242
   54    HG3  ABA   7           1HG      ABA   7   5.202   2.733   6.953
   55    HG2  ABA   7           2HG      ABA   7   4.096   1.708   6.040
   56    H    ARG   8           H        ARG   8   6.908  -0.043   2.034
   57    HA   ARG   8           HA       ARG   8   9.049  -1.655   3.172
   58    HB2  ARG   8           2HB      ARG   8   7.470  -2.143   0.620
   59    HB3  ARG   8           1HB      ARG   8   8.731  -3.192   1.264
   60    HG2  ARG   8           2HG      ARG   8   7.341  -3.727   3.179
   61    HG3  ARG   8           1HG      ARG   8   6.130  -2.569   2.624
   62    HD2  ARG   8           2HD      ARG   8   5.307  -4.708   2.011
   63    HD3  ARG   8           1HD      ARG   8   5.929  -3.990   0.533
   64    HE   ARG   8           HE       ARG   8   7.785  -5.680   1.938
   65   HH11  ARG   8          1HH1      ARG   8   5.284  -5.563  -0.602
   66   HH12  ARG   8          2HH1      ARG   8   5.713  -7.044  -1.287
   67   HH21  ARG   8          1HH2      ARG   8   8.338  -7.750   0.988
   68   HH22  ARG   8          2HH2      ARG   8   7.486  -8.320  -0.370
   69    H    ARG   9           H        ARG   9  10.978  -1.541   1.948
   70    HA   ARG   9           HA       ARG   9  11.642   1.043   1.020
   71    HB2  ARG   9           2HB      ARG   9  13.169  -1.537   0.663
   72    HB3  ARG   9           1HB      ARG   9  13.808   0.063   0.340
   73    HG2  ARG   9           2HG      ARG   9  13.603   0.641   2.693
   74    HG3  ARG   9           1HG      ARG   9  12.924  -0.954   3.031
   75    HD2  ARG   9           2HD      ARG   9  14.984  -1.997   2.184
   76    HD3  ARG   9           1HD      ARG   9  15.655  -0.399   1.884
   77    HE   ARG   9           HE       ARG   9  15.152  -0.213   4.452
   78   HH11  ARG   9          1HH1      ARG   9  16.547  -2.953   2.725
   79   HH12  ARG   9          2HH1      ARG   9  17.587  -3.434   3.969
   80   HH21  ARG   9          1HH2      ARG   9  16.614  -0.830   6.194
   81   HH22  ARG   9          2HH2      ARG   9  17.625  -2.184   6.007
   82    H    GLY  10           H        GLY  10  10.748   1.853  -0.763
   83    HA2  GLY  10           2HA      GLY  10  10.984   2.146  -3.125
   84    HA3  GLY  10           1HA      GLY  10  11.183   0.400  -3.284
   85    H    VAL  11           H        VAL  11   8.973   0.183  -1.253
   86    HA   VAL  11           HA       VAL  11   6.714   0.729  -3.009
   87    HB   VAL  11           HB       VAL  11   7.117  -1.870  -1.456
   88   HG11  VAL  11          1HG1      VAL  11   4.770  -1.293  -1.592
   89   HG12  VAL  11          2HG1      VAL  11   5.097  -2.642  -2.689
   90   HG13  VAL  11          3HG1      VAL  11   4.912  -1.013  -3.324
   91   HG21  VAL  11          3HG2      VAL  11   7.221  -1.385  -4.437
   92   HG22  VAL  11          1HG2      VAL  11   7.293  -2.963  -3.657
   93   HG23  VAL  11          2HG2      VAL  11   8.587  -1.793  -3.403
   94    H    ABA  12           H        ABA  12   7.010   2.538  -1.412
   95    HA   ABA  12           HA       ABA  12   5.724   1.970   1.142
   96    HB3  ABA  12           1HB      ABA  12   6.083   4.410   1.580
   97    HB2  ABA  12           2HB      ABA  12   6.830   4.555  -0.004
   98    HG1  ABA  12           3HG      ABA  12   8.598   3.021   0.683
   99    HG3  ABA  12           1HG      ABA  12   7.858   2.888   2.274
  100    HG2  ABA  12           2HG      ABA  12   8.506   4.435   1.734
  101    H    ARG  13           H        ARG  13   3.655   1.556   0.717
  102    HA   ARG  13           HA       ARG  13   2.241   3.571  -0.830
  103    HB2  ARG  13           2HB      ARG  13   1.684   0.606  -0.774
  104    HB3  ARG  13           1HB      ARG  13   0.682   1.813  -1.563
  105    HG2  ARG  13           2HG      ARG  13   2.676   2.397  -2.989
  106    HG3  ARG  13           1HG      ARG  13   3.494   1.006  -2.290
  107    HD2  ARG  13           2HD      ARG  13   1.683  -0.444  -3.110
  108    HD3  ARG  13           1HD      ARG  13   0.914   0.947  -3.866
  109    HE   ARG  13           HE       ARG  13   3.516  -0.209  -4.622
  110   HH11  ARG  13          1HH1      ARG  13   0.744   1.812  -5.523
  111   HH12  ARG  13          2HH1      ARG  13   0.992   1.639  -7.192
  112   HH21  ARG  13          1HH2      ARG  13   3.842  -0.424  -6.939
  113   HH22  ARG  13          2HH2      ARG  13   2.787   0.347  -8.018
  114    H    ABA  14           H        ABA  14   0.412   4.307   0.011
  115    HA   ABA  14           HA       ABA  14  -0.719   3.088   2.378
  116    HB3  ABA  14           1HB      ABA  14   0.080   6.021   2.291
  117    HB2  ABA  14           2HB      ABA  14   1.027   4.791   3.112
  118    HG1  ABA  14           3HG      ABA  14  -1.795   5.594   3.801
  119    HG3  ABA  14           1HG      ABA  14  -0.338   6.040   4.691
  120    HG2  ABA  14           2HG      ABA  14  -0.849   4.353   4.625
  121    H    VAL  15           H        VAL  15  -1.887   2.721   0.228
  122    HA   VAL  15           HA       VAL  15  -3.623   4.982  -0.300
  123    HB   VAL  15           HB       VAL  15  -4.205   3.880  -2.478
  124   HG11  VAL  15          1HG1      VAL  15  -2.114   4.477  -3.603
  125   HG12  VAL  15          2HG1      VAL  15  -1.283   4.474  -2.043
  126   HG13  VAL  15          3HG1      VAL  15  -2.547   5.661  -2.366
  127   HG21  VAL  15          3HG2      VAL  15  -2.727   2.114  -3.354
  128   HG22  VAL  15          1HG2      VAL  15  -3.595   1.564  -1.921
  129   HG23  VAL  15          2HG2      VAL  15  -1.900   2.036  -1.795
  130    H    ABA  16           H        ABA  16  -5.520   4.936   0.442
  131    HA   ABA  16           HA       ABA  16  -6.616   2.391   1.358
  132    HB3  ABA  16           1HB      ABA  16  -7.390   5.221   2.131
  133    HB2  ABA  16           2HB      ABA  16  -6.320   4.183   3.063
  134    HG1  ABA  16           3HG      ABA  16  -8.147   2.613   3.438
  135    HG3  ABA  16           1HG      ABA  16  -9.220   3.649   2.500
  136    HG2  ABA  16           2HG      ABA  16  -8.549   4.234   4.017
  137    H    ARG  17           H        ARG  17  -7.311   1.780  -0.703
  138    HA   ARG  17           HA       ARG  17  -9.537   3.336  -1.752
  139    HB2  ARG  17           2HB      ARG  17  -7.706   1.453  -3.245
  140    HB3  ARG  17           1HB      ARG  17  -9.005   2.411  -3.939
  141    HG2  ARG  17           2HG      ARG  17  -6.504   3.510  -2.674
  142    HG3  ARG  17           1HG      ARG  17  -6.792   3.358  -4.407
  143    HD2  ARG  17           2HD      ARG  17  -8.657   4.891  -4.253
  144    HD3  ARG  17           1HD      ARG  17  -8.462   5.000  -2.503
  145    HE   ARG  17           HE       ARG  17  -6.048   5.666  -3.675
  146   HH11  ARG  17          1HH1      ARG  17  -9.327   6.998  -3.688
  147   HH12  ARG  17          2HH1      ARG  17  -8.822   8.614  -3.740
  148   HH21  ARG  17          1HH2      ARG  17  -5.349   7.846  -3.787
  149   HH22  ARG  17          2HH2      ARG  17  -6.475   9.124  -3.816
  150    H    ARG  18           H        ARG  18 -11.333   2.164  -2.291
  151    HA   ARG  18           HA       ARG  18 -11.698  -0.343  -0.928
  152    HB2  ARG  18           2HB      ARG  18 -13.552   1.224  -2.724
  153    HB3  ARG  18           1HB      ARG  18 -14.006  -0.230  -1.849
  154    HG2  ARG  18           2HG      ARG  18 -13.116   2.352  -0.571
  155    HG3  ARG  18           1HG      ARG  18 -14.789   1.840  -0.749
  156    HD2  ARG  18           2HD      ARG  18 -14.193   1.284   1.468
  157    HD3  ARG  18           1HD      ARG  18 -14.129  -0.236   0.585
  158    HE   ARG  18           HE       ARG  18 -11.788   1.386   1.296
  159   HH11  ARG  18          1HH1      ARG  18 -13.307  -1.796   0.957
  160   HH12  ARG  18          2HH1      ARG  18 -11.945  -2.666   1.449
  161   HH21  ARG  18          1HH2      ARG  18  -9.910   0.167   2.018
  162   HH22  ARG  18          2HH2      ARG  18  -9.970  -1.536   2.057
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1 -10.561   1.575  -1.176
    2    HA2  GLY   1           2HA      GLY   1 -10.693   0.860   1.105
    3    HA3  GLY   1           1HA      GLY   1 -11.754  -0.446   0.596
    4    H    VAL   2           H        VAL   2  -9.732  -0.903  -1.689
    5    HA   VAL   2           HA       VAL   2  -8.192  -2.857  -0.257
    6    HB   VAL   2           HB       VAL   2  -8.378  -2.293  -3.238
    7   HG11  VAL   2          1HG1      VAL   2  -7.402  -4.531  -3.528
    8   HG12  VAL   2          2HG1      VAL   2  -7.210  -4.664  -1.778
    9   HG13  VAL   2          3HG1      VAL   2  -6.309  -3.439  -2.677
   10   HG21  VAL   2          3HG2      VAL   2  -9.754  -4.396  -1.578
   11   HG22  VAL   2          1HG2      VAL   2  -9.824  -4.274  -3.337
   12   HG23  VAL   2          2HG2      VAL   2 -10.523  -3.000  -2.331
   13    H    ABA   3           H        ABA   3  -6.684  -1.787   0.734
   14    HA   ABA   3           HA       ABA   3  -4.924  -0.038  -0.824
   15    HB3  ABA   3           1HB      ABA   3  -5.833   1.019   1.148
   16    HB2  ABA   3           2HB      ABA   3  -4.094   0.830   1.328
   17    HG1  ABA   3           3HG      ABA   3  -6.201  -0.861   2.596
   18    HG3  ABA   3           1HG      ABA   3  -5.230   0.399   3.363
   19    HG2  ABA   3           2HG      ABA   3  -4.447  -1.080   2.770
   20    H    ARG   4           H        ARG   4  -2.774  -0.290  -0.836
   21    HA   ARG   4           HA       ARG   4  -1.918  -3.040  -0.651
   22    HB2  ARG   4           2HB      ARG   4  -0.427  -0.563  -1.545
   23    HB3  ARG   4           1HB      ARG   4   0.211  -2.199  -1.624
   24    HG2  ARG   4           2HG      ARG   4  -2.216  -1.186  -3.091
   25    HG3  ARG   4           1HG      ARG   4  -0.617  -1.442  -3.794
   26    HD2  ARG   4           2HD      ARG   4  -2.369  -3.586  -2.568
   27    HD3  ARG   4           1HD      ARG   4  -2.139  -3.288  -4.287
   28    HE   ARG   4           HE       ARG   4   0.294  -3.735  -3.790
   29   HH11  ARG   4          1HH1      ARG   4  -2.364  -5.393  -2.070
   30   HH12  ARG   4          2HH1      ARG   4  -1.456  -6.792  -1.752
   31   HH21  ARG   4          1HH2      ARG   4   1.537  -5.684  -3.293
   32   HH22  ARG   4          2HH2      ARG   4   0.795  -6.970  -2.462
   33    H    ABA   5           H        ABA   5  -1.833  -3.554   1.444
   34    HA   ABA   5           HA       ABA   5  -0.529  -1.985   3.421
   35    HB3  ABA   5           1HB      ABA   5  -1.298  -4.919   3.458
   36    HB2  ABA   5           2HB      ABA   5  -2.326  -3.591   3.972
   37    HG1  ABA   5           3HG      ABA   5   0.254  -4.430   5.271
   38    HG3  ABA   5           1HG      ABA   5  -1.369  -4.732   5.889
   39    HG2  ABA   5           2HG      ABA   5  -0.750  -3.079   5.779
   40    H    VAL   6           H        VAL   6   1.474  -1.555   2.442
   41    HA   VAL   6           HA       VAL   6   3.455  -3.587   2.945
   42    HB   VAL   6           HB       VAL   6   2.941  -3.850   0.565
   43   HG11  VAL   6          1HG1      VAL   6   2.066  -1.665   0.029
   44   HG12  VAL   6          2HG1      VAL   6   3.390  -2.059  -1.068
   45   HG13  VAL   6          3HG1      VAL   6   3.655  -0.937   0.266
   46   HG21  VAL   6          3HG2      VAL   6   5.209  -3.479  -0.384
   47   HG22  VAL   6          1HG2      VAL   6   5.238  -4.240   1.211
   48   HG23  VAL   6          2HG2      VAL   6   5.601  -2.527   1.046
   49    H    ABA   7           H        ABA   7   5.381  -2.741   3.516
   50    HA   ABA   7           HA       ABA   7   5.741   0.136   3.415
   51    HB3  ABA   7           1HB      ABA   7   5.963  -1.455   5.982
   52    HB2  ABA   7           2HB      ABA   7   4.673  -0.323   5.602
   53    HG1  ABA   7           3HG      ABA   7   7.581   0.369   5.902
   54    HG3  ABA   7           1HG      ABA   7   6.307   0.670   7.084
   55    HG2  ABA   7           2HG      ABA   7   6.280   1.497   5.528
   56    H    ARG   8           H        ARG   8   7.339  -0.215   1.939
   57    HA   ARG   8           HA       ARG   8   9.820  -1.324   2.991
   58    HB2  ARG   8           2HB      ARG   8   8.737  -1.638   0.184
   59    HB3  ARG   8           1HB      ARG   8  10.344  -2.121   0.705
   60    HG2  ARG   8           2HG      ARG   8   9.282  -3.771   2.226
   61    HG3  ARG   8           1HG      ARG   8   7.713  -3.337   1.533
   62    HD2  ARG   8           2HD      ARG   8   8.571  -5.300   0.408
   63    HD3  ARG   8           1HD      ARG   8   8.566  -3.930  -0.706
   64    HE   ARG   8           HE       ARG   8  10.960  -4.820   0.744
   65   HH11  ARG   8          1HH1      ARG   8   9.441  -3.825  -2.329
   66   HH12  ARG   8          2HH1      ARG   8  10.895  -3.809  -3.190
   67   HH21  ARG   8          1HH2      ARG   8  12.971  -4.801  -0.508
   68   HH22  ARG   8          2HH2      ARG   8  12.909  -4.425  -2.168
   69    H    ARG   9           H        ARG   9  11.648  -0.372   1.727
   70    HA   ARG   9           HA       ARG   9  11.160   2.433   1.359
   71    HB2  ARG   9           2HB      ARG   9  13.688   0.802   1.099
   72    HB3  ARG   9           1HB      ARG   9  13.612   2.559   0.998
   73    HG2  ARG   9           2HG      ARG   9  12.844   2.712   3.271
   74    HG3  ARG   9           1HG      ARG   9  12.759   0.953   3.378
   75    HD2  ARG   9           2HD      ARG   9  15.255   2.582   2.947
   76    HD3  ARG   9           1HD      ARG   9  14.770   1.817   4.463
   77    HE   ARG   9           HE       ARG   9  15.386   0.359   1.987
   78   HH11  ARG   9          1HH1      ARG   9  15.555   0.574   5.527
   79   HH12  ARG   9          2HH1      ARG   9  16.462  -0.859   5.683
   80   HH21  ARG   9          1HH2      ARG   9  16.586  -1.620   2.236
   81   HH22  ARG   9          2HH2      ARG   9  17.016  -2.156   3.789
   82    H    GLY  10           H        GLY  10  10.042   2.797  -0.372
   83    HA2  GLY  10           2HA      GLY  10  10.603   3.330  -2.766
   84    HA3  GLY  10           1HA      GLY  10  10.874   1.595  -2.921
   85    H    VAL  11           H        VAL  11   8.614   1.366  -0.817
   86    HA   VAL  11           HA       VAL  11   6.316   2.186  -2.238
   87    HB   VAL  11           HB       VAL  11   6.887   0.257  -3.636
   88   HG11  VAL  11          1HG1      VAL  11   8.203  -1.055  -2.124
   89   HG12  VAL  11          2HG1      VAL  11   6.891  -2.034  -2.790
   90   HG13  VAL  11          3HG1      VAL  11   6.783  -1.414  -1.143
   91   HG21  VAL  11          3HG2      VAL  11   4.782  -1.032  -3.454
   92   HG22  VAL  11          1HG2      VAL  11   4.535   0.711  -3.333
   93   HG23  VAL  11          2HG2      VAL  11   4.503  -0.280  -1.879
   94    H    ABA  12           H        ABA  12   4.988   2.785  -0.744
   95    HA   ABA  12           HA       ABA  12   4.729   1.237   1.728
   96    HB3  ABA  12           1HB      ABA  12   4.447   3.424   2.931
   97    HB2  ABA  12           2HB      ABA  12   4.947   4.249   1.464
   98    HG1  ABA  12           3HG      ABA  12   6.771   4.094   3.054
   99    HG3  ABA  12           1HG      ABA  12   7.130   3.182   1.587
  100    HG2  ABA  12           2HG      ABA  12   6.636   2.337   3.053
  101    H    ARG  13           H        ARG  13   2.674   1.799   2.832
  102    HA   ARG  13           HA       ARG  13   0.524   1.736   0.961
  103    HB2  ARG  13           2HB      ARG  13   0.422   0.453   3.064
  104    HB3  ARG  13           1HB      ARG  13   0.463   1.966   3.969
  105    HG2  ARG  13           2HG      ARG  13  -1.666   2.623   2.971
  106    HG3  ARG  13           1HG      ARG  13  -1.717   1.103   2.082
  107    HD2  ARG  13           2HD      ARG  13  -3.133   1.025   4.081
  108    HD3  ARG  13           1HD      ARG  13  -1.809  -0.134   4.181
  109    HE   ARG  13           HE       ARG  13  -0.821   1.121   5.839
  110   HH11  ARG  13          1HH1      ARG  13  -3.717   2.803   4.716
  111   HH12  ARG  13          2HH1      ARG  13  -3.964   3.664   6.171
  112   HH21  ARG  13          1HH2      ARG  13  -1.166   2.278   7.824
  113   HH22  ARG  13          2HH2      ARG  13  -2.449   3.394   7.972
  114    H    ABA  14           H        ABA  14   0.576   3.633  -0.108
  115    HA   ABA  14           HA       ABA  14  -0.664   5.867   1.322
  116    HB3  ABA  14           1HB      ABA  14   0.591   7.457  -0.176
  117    HB2  ABA  14           2HB      ABA  14   1.499   6.095  -0.811
  118    HG1  ABA  14           3HG      ABA  14   2.487   5.705   1.380
  119    HG3  ABA  14           1HG      ABA  14   1.570   7.062   2.034
  120    HG2  ABA  14           2HG      ABA  14   2.806   7.341   0.809
  121    H    VAL  15           H        VAL  15  -1.556   3.636  -0.144
  122    HA   VAL  15           HA       VAL  15  -3.154   4.905  -2.227
  123    HB   VAL  15           HB       VAL  15  -1.668   2.353  -2.709
  124   HG11  VAL  15          1HG1      VAL  15  -2.555   2.489  -5.019
  125   HG12  VAL  15          2HG1      VAL  15  -3.532   3.871  -4.517
  126   HG13  VAL  15          3HG1      VAL  15  -3.790   2.290  -3.781
  127   HG21  VAL  15          3HG2      VAL  15  -1.188   5.051  -3.996
  128   HG22  VAL  15          1HG2      VAL  15  -0.433   3.547  -4.519
  129   HG23  VAL  15          2HG2      VAL  15  -0.091   4.199  -2.915
  130    H    ABA  16           H        ABA  16  -5.111   4.363  -1.818
  131    HA   ABA  16           HA       ABA  16  -5.822   1.646  -1.160
  132    HB3  ABA  16           1HB      ABA  16  -6.176   2.923   0.888
  133    HB2  ABA  16           2HB      ABA  16  -7.730   2.595   0.122
  134    HG1  ABA  16           3HG      ABA  16  -7.818   4.831  -0.747
  135    HG3  ABA  16           1HG      ABA  16  -6.273   5.202   0.011
  136    HG2  ABA  16           2HG      ABA  16  -7.683   4.826   1.010
  137    H    ARG  17           H        ARG  17  -7.165   0.818  -2.627
  138    HA   ARG  17           HA       ARG  17  -8.602   2.652  -4.380
  139    HB2  ARG  17           2HB      ARG  17  -7.427  -0.062  -4.957
  140    HB3  ARG  17           1HB      ARG  17  -8.483   0.797  -6.059
  141    HG2  ARG  17           2HG      ARG  17  -6.813   2.591  -6.232
  142    HG3  ARG  17           1HG      ARG  17  -5.766   1.700  -5.118
  143    HD2  ARG  17           2HD      ARG  17  -5.676  -0.165  -6.674
  144    HD3  ARG  17           1HD      ARG  17  -6.763   0.681  -7.773
  145    HE   ARG  17           HE       ARG  17  -4.499   2.261  -7.259
  146   HH11  ARG  17          1HH1      ARG  17  -5.469  -0.668  -9.018
  147   HH12  ARG  17          2HH1      ARG  17  -4.215  -0.563 -10.167
  148   HH21  ARG  17          1HH2      ARG  17  -2.753   2.377  -8.871
  149   HH22  ARG  17          2HH2      ARG  17  -2.676   1.198 -10.096
  150    H    ARG  18           H        ARG  18 -10.620   2.648  -3.573
  151    HA   ARG  18           HA       ARG  18 -12.675   1.993  -2.906
  152    HB2  ARG  18           2HB      ARG  18 -11.897  -0.441  -4.472
  153    HB3  ARG  18           1HB      ARG  18 -13.529  -0.215  -3.831
  154    HG2  ARG  18           2HG      ARG  18 -13.767   1.793  -5.213
  155    HG3  ARG  18           1HG      ARG  18 -12.125   1.585  -5.795
  156    HD2  ARG  18           2HD      ARG  18 -13.786   0.769  -7.401
  157    HD3  ARG  18           1HD      ARG  18 -12.709  -0.509  -6.852
  158    HE   ARG  18           HE       ARG  18 -14.831  -0.754  -5.205
  159   HH11  ARG  18          1HH1      ARG  18 -14.682  -0.507  -8.751
  160   HH12  ARG  18          2HH1      ARG  18 -15.963  -1.599  -9.005
  161   HH21  ARG  18          1HH2      ARG  18 -16.590  -2.223  -5.579
  162   HH22  ARG  18          2HH2      ARG  18 -17.070  -2.579  -7.181
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1 -10.327  -1.234  -1.417
    2    HA2  GLY   1           2HA      GLY   1  -9.455  -3.431  -1.098
    3    HA3  GLY   1           1HA      GLY   1  -9.584  -3.698  -2.829
    4    H    VAL   2           H        VAL   2  -8.258  -0.858  -2.955
    5    HA   VAL   2           HA       VAL   2  -5.537  -1.874  -2.875
    6    HB   VAL   2           HB       VAL   2  -6.605   0.766  -3.953
    7   HG11  VAL   2          1HG1      VAL   2  -4.237   0.849  -3.372
    8   HG12  VAL   2          2HG1      VAL   2  -4.465   0.940  -5.118
    9   HG13  VAL   2          3HG1      VAL   2  -3.935  -0.571  -4.373
   10   HG21  VAL   2          3HG2      VAL   2  -6.335  -0.216  -6.195
   11   HG22  VAL   2          1HG2      VAL   2  -7.531  -1.084  -5.230
   12   HG23  VAL   2          2HG2      VAL   2  -5.919  -1.760  -5.451
   13    H    ABA   3           H        ABA   3  -5.261  -1.904  -0.705
   14    HA   ABA   3           HA       ABA   3  -5.605   0.575   0.831
   15    HB3  ABA   3           1HB      ABA   3  -5.658  -0.884   2.796
   16    HB2  ABA   3           2HB      ABA   3  -5.411  -2.290   1.772
   17    HG1  ABA   3           3HG      ABA   3  -7.554  -1.901   0.691
   18    HG3  ABA   3           1HG      ABA   3  -7.814  -0.481   1.701
   19    HG2  ABA   3           2HG      ABA   3  -7.740  -2.084   2.436
   20    H    ARG   4           H        ARG   4  -4.029   0.965   2.476
   21    HA   ARG   4           HA       ARG   4  -1.331   0.553   1.596
   22    HB2  ARG   4           2HB      ARG   4  -2.102   2.680   2.618
   23    HB3  ARG   4           1HB      ARG   4  -2.429   1.816   4.112
   24    HG2  ARG   4           2HG      ARG   4  -0.030   1.283   4.299
   25    HG3  ARG   4           1HG      ARG   4   0.279   2.245   2.852
   26    HD2  ARG   4           2HD      ARG   4  -0.701   4.200   3.990
   27    HD3  ARG   4           1HD      ARG   4  -0.921   3.228   5.443
   28    HE   ARG   4           HE       ARG   4   1.775   3.367   4.414
   29   HH11  ARG   4          1HH1      ARG   4  -0.566   4.691   6.729
   30   HH12  ARG   4          2HH1      ARG   4   0.615   5.500   7.651
   31   HH21  ARG   4          1HH2      ARG   4   3.378   4.476   5.706
   32   HH22  ARG   4          2HH2      ARG   4   2.883   5.367   7.075
   33    H    ABA   5           H        ABA   5  -1.003  -1.619   1.778
   34    HA   ABA   5           HA       ABA   5  -0.590  -2.556   4.510
   35    HB3  ABA   5           1HB      ABA   5  -1.735  -4.298   2.287
   36    HB2  ABA   5           2HB      ABA   5  -2.731  -3.537   3.516
   37    HG1  ABA   5           3HG      ABA   5  -2.350  -5.875   4.033
   38    HG3  ABA   5           1HG      ABA   5  -1.609  -4.838   5.253
   39    HG2  ABA   5           2HG      ABA   5  -0.606  -5.607   4.024
   40    H    VAL   6           H        VAL   6   0.920  -1.356   2.455
   41    HA   VAL   6           HA       VAL   6   3.112  -3.187   2.278
   42    HB   VAL   6           HB       VAL   6   3.507  -2.391  -0.163
   43   HG11  VAL   6          1HG1      VAL   6   2.197  -4.293  -1.076
   44   HG12  VAL   6          2HG1      VAL   6   1.336  -4.406   0.458
   45   HG13  VAL   6          3HG1      VAL   6   3.071  -4.725   0.392
   46   HG21  VAL   6          3HG2      VAL   6   1.710  -0.769  -0.243
   47   HG22  VAL   6          1HG2      VAL   6   0.517  -2.040   0.003
   48   HG23  VAL   6          2HG2      VAL   6   1.467  -2.007  -1.485
   49    H    ABA   7           H        ABA   7   4.173  -1.957   3.661
   50    HA   ABA   7           HA       ABA   7   4.979   0.692   2.704
   51    HB3  ABA   7           1HB      ABA   7   4.860  -0.286   5.580
   52    HB2  ABA   7           2HB      ABA   7   3.682   0.793   4.843
   53    HG1  ABA   7           3HG      ABA   7   5.218   2.045   6.227
   54    HG3  ABA   7           1HG      ABA   7   5.431   2.485   4.535
   55    HG2  ABA   7           2HG      ABA   7   6.590   1.414   5.321
   56    H    ARG   8           H        ARG   8   6.457  -0.535   1.438
   57    HA   ARG   8           HA       ARG   8   8.588  -1.801   2.936
   58    HB2  ARG   8           2HB      ARG   8   7.864  -1.921   0.005
   59    HB3  ARG   8           1HB      ARG   8   9.200  -2.784   0.761
   60    HG2  ARG   8           2HG      ARG   8   7.654  -4.058   2.105
   61    HG3  ARG   8           1HG      ARG   8   6.305  -3.125   1.456
   62    HD2  ARG   8           2HD      ARG   8   6.788  -4.012  -0.781
   63    HD3  ARG   8           1HD      ARG   8   8.121  -4.957  -0.110
   64    HE   ARG   8           HE       ARG   8   5.987  -5.618   1.405
   65   HH11  ARG   8          1HH1      ARG   8   6.601  -5.778  -2.094
   66   HH12  ARG   8          2HH1      ARG   8   5.566  -7.119  -2.317
   67   HH21  ARG   8          1HH2      ARG   8   4.604  -7.468   1.042
   68   HH22  ARG   8          2HH2      ARG   8   4.428  -8.084  -0.532
   69    H    ARG   9           H        ARG   9  10.664  -1.150   2.448
   70    HA   ARG   9           HA       ARG   9  10.803   1.670   1.859
   71    HB2  ARG   9           2HB      ARG   9  13.010  -0.240   2.667
   72    HB3  ARG   9           1HB      ARG   9  13.142   1.513   2.615
   73    HG2  ARG   9           2HG      ARG   9  11.335  -0.085   4.440
   74    HG3  ARG   9           1HG      ARG   9  12.817   0.748   4.909
   75    HD2  ARG   9           2HD      ARG   9  11.790   2.903   4.310
   76    HD3  ARG   9           1HD      ARG   9  10.337   2.066   3.795
   77    HE   ARG   9           HE       ARG   9  10.092   1.334   6.141
   78   HH11  ARG   9          1HH1      ARG   9  12.113   4.196   5.534
   79   HH12  ARG   9          2HH1      ARG   9  11.689   4.976   6.975
   80   HH21  ARG   9          1HH2      ARG   9   9.439   2.469   8.110
   81   HH22  ARG   9          2HH2      ARG   9  10.129   3.967   8.480
   82    H    GLY  10           H        GLY  10  10.084   1.400  -0.201
   83    HA2  GLY  10           2HA      GLY  10  11.759   1.835  -2.273
   84    HA3  GLY  10           1HA      GLY  10  11.567   0.076  -2.256
   85    H    VAL  11           H        VAL  11   8.895   0.215  -1.098
   86    HA   VAL  11           HA       VAL  11   7.341   1.615  -3.046
   87    HB   VAL  11           HB       VAL  11   7.593  -0.504  -4.209
   88   HG11  VAL  11          1HG1      VAL  11   8.240  -1.931  -2.353
   89   HG12  VAL  11          2HG1      VAL  11   6.924  -2.650  -3.284
   90   HG13  VAL  11          3HG1      VAL  11   6.588  -1.882  -1.732
   91   HG21  VAL  11          3HG2      VAL  11   4.872  -0.373  -2.918
   92   HG22  VAL  11          1HG2      VAL  11   5.258  -1.247  -4.401
   93   HG23  VAL  11          2HG2      VAL  11   5.384   0.517  -4.347
   94    H    ABA  12           H        ABA  12   6.130   2.820  -1.895
   95    HA   ABA  12           HA       ABA  12   4.800   1.703   0.474
   96    HB3  ABA  12           1HB      ABA  12   4.835   4.006   1.411
   97    HB2  ABA  12           2HB      ABA  12   5.831   4.522   0.058
   98    HG1  ABA  12           3HG      ABA  12   7.597   2.992   0.766
   99    HG3  ABA  12           1HG      ABA  12   6.615   2.498   2.143
  100    HG2  ABA  12           2HG      ABA  12   7.195   4.162   2.022
  101    H    ARG  13           H        ARG  13   2.872   1.268  -0.438
  102    HA   ARG  13           HA       ARG  13   1.580   3.306  -2.095
  103    HB2  ARG  13           2HB      ARG  13   1.540   0.924  -2.825
  104    HB3  ARG  13           1HB      ARG  13   0.644   0.522  -1.370
  105    HG2  ARG  13           2HG      ARG  13  -1.175   1.943  -2.082
  106    HG3  ARG  13           1HG      ARG  13  -0.308   2.335  -3.572
  107    HD2  ARG  13           2HD      ARG  13  -1.891   0.623  -4.057
  108    HD3  ARG  13           1HD      ARG  13  -0.290  -0.109  -4.077
  109    HE   ARG  13           HE       ARG  13  -1.802  -0.282  -1.598
  110   HH11  ARG  13          1HH1      ARG  13  -0.551  -1.958  -4.449
  111   HH12  ARG  13          2HH1      ARG  13  -1.132  -3.489  -3.990
  112   HH21  ARG  13          1HH2      ARG  13  -2.574  -2.378  -0.945
  113   HH22  ARG  13          2HH2      ARG  13  -2.311  -3.740  -1.920
  114    H    ABA  14           H        ABA  14   0.978   4.856  -0.673
  115    HA   ABA  14           HA       ABA  14  -0.376   4.090   1.787
  116    HB3  ABA  14           1HB      ABA  14   1.448   5.609   2.100
  117    HB2  ABA  14           2HB      ABA  14  -0.047   6.467   2.451
  118    HG1  ABA  14           3HG      ABA  14   1.540   6.678  -0.097
  119    HG3  ABA  14           1HG      ABA  14   1.492   7.871   1.203
  120    HG2  ABA  14           2HG      ABA  14   0.040   7.531   0.261
  121    H    VAL  15           H        VAL  15  -1.933   3.716  -0.462
  122    HA   VAL  15           HA       VAL  15  -3.935   5.837  -0.146
  123    HB   VAL  15           HB       VAL  15  -4.866   5.201  -2.330
  124   HG11  VAL  15          1HG1      VAL  15  -3.244   7.009  -2.280
  125   HG12  VAL  15          2HG1      VAL  15  -3.074   6.089  -3.775
  126   HG13  VAL  15          3HG1      VAL  15  -1.922   5.854  -2.459
  127   HG21  VAL  15          3HG2      VAL  15  -4.163   2.858  -2.370
  128   HG22  VAL  15          1HG2      VAL  15  -2.489   3.367  -2.572
  129   HG23  VAL  15          2HG2      VAL  15  -3.665   3.693  -3.845
  130    H    ABA  16           H        ABA  16  -6.244   4.970  -0.359
  131    HA   ABA  16           HA       ABA  16  -6.499   2.188   0.344
  132    HB3  ABA  16           1HB      ABA  16  -7.445   4.341   2.252
  133    HB2  ABA  16           2HB      ABA  16  -6.006   3.362   2.495
  134    HG1  ABA  16           3HG      ABA  16  -7.875   2.553   3.812
  135    HG3  ABA  16           1HG      ABA  16  -7.361   1.358   2.622
  136    HG2  ABA  16           2HG      ABA  16  -8.813   2.315   2.336
  137    H    ARG  17           H        ARG  17  -7.597   2.206  -1.692
  138    HA   ARG  17           HA       ARG  17 -10.392   2.967  -1.398
  139    HB2  ARG  17           2HB      ARG  17  -8.786   3.577  -3.876
  140    HB3  ARG  17           1HB      ARG  17 -10.521   3.688  -3.754
  141    HG2  ARG  17           2HG      ARG  17 -10.195   5.468  -2.026
  142    HG3  ARG  17           1HG      ARG  17  -8.466   5.408  -2.395
  143    HD2  ARG  17           2HD      ARG  17 -10.696   6.033  -4.333
  144    HD3  ARG  17           1HD      ARG  17  -9.522   7.178  -3.693
  145    HE   ARG  17           HE       ARG  17  -7.974   5.321  -4.843
  146   HH11  ARG  17          1HH1      ARG  17 -10.739   7.152  -6.091
  147   HH12  ARG  17          2HH1      ARG  17 -10.183   7.149  -7.703
  148   HH21  ARG  17          1HH2      ARG  17  -7.254   5.309  -7.010
  149   HH22  ARG  17          2HH2      ARG  17  -8.119   6.088  -8.254
  150    H    ARG  18           H        ARG  18 -11.678   1.345  -1.986
  151    HA   ARG  18           HA       ARG  18 -12.535  -0.527  -2.902
  152    HB2  ARG  18           2HB      ARG  18 -10.945   0.417  -5.252
  153    HB3  ARG  18           1HB      ARG  18 -12.346  -0.659  -5.348
  154    HG2  ARG  18           2HG      ARG  18 -13.733   1.181  -4.450
  155    HG3  ARG  18           1HG      ARG  18 -12.309   2.212  -4.422
  156    HD2  ARG  18           2HD      ARG  18 -12.101   1.869  -6.876
  157    HD3  ARG  18           1HD      ARG  18 -13.627   0.987  -6.837
  158    HE   ARG  18           HE       ARG  18 -13.385   3.777  -5.944
  159   HH11  ARG  18          1HH1      ARG  18 -15.105   1.310  -7.865
  160   HH12  ARG  18          2HH1      ARG  18 -16.317   2.391  -8.351
  161   HH21  ARG  18          1HH2      ARG  18 -15.053   5.232  -6.719
  162   HH22  ARG  18          2HH2      ARG  18 -16.294   4.647  -7.718
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1 -11.520   0.732  -0.433
    2    HA2  GLY   1           2HA      GLY   1 -11.488  -0.689   1.471
    3    HA3  GLY   1           1HA      GLY   1 -11.975  -2.029   0.441
    4    H    VAL   2           H        VAL   2  -9.874  -1.116  -1.524
    5    HA   VAL   2           HA       VAL   2  -7.762  -2.731  -0.417
    6    HB   VAL   2           HB       VAL   2  -7.964  -1.423  -3.154
    7   HG11  VAL   2          1HG1      VAL   2  -5.650  -1.896  -2.502
    8   HG12  VAL   2          2HG1      VAL   2  -6.168  -2.960  -3.811
    9   HG13  VAL   2          3HG1      VAL   2  -6.084  -3.569  -2.158
   10   HG21  VAL   2          3HG2      VAL   2  -8.530  -4.258  -2.298
   11   HG22  VAL   2          1HG2      VAL   2  -8.527  -3.675  -3.964
   12   HG23  VAL   2          2HG2      VAL   2  -9.721  -3.069  -2.812
   13    H    ABA   3           H        ABA   3  -6.943  -1.568   1.083
   14    HA   ABA   3           HA       ABA   3  -5.775   1.044   0.493
   15    HB3  ABA   3           1HB      ABA   3  -6.094  -0.388   3.149
   16    HB2  ABA   3           2HB      ABA   3  -7.270   0.734   2.499
   17    HG1  ABA   3           3HG      ABA   3  -5.951   1.796   4.199
   18    HG3  ABA   3           1HG      ABA   3  -5.642   2.546   2.635
   19    HG2  ABA   3           2HG      ABA   3  -4.469   1.424   3.326
   20    H    ARG   4           H        ARG   4  -3.614   1.307   1.742
   21    HA   ARG   4           HA       ARG   4  -1.545   0.060   0.466
   22    HB2  ARG   4           2HB      ARG   4  -1.110   2.090   1.520
   23    HB3  ARG   4           1HB      ARG   4  -1.743   1.540   3.055
   24    HG2  ARG   4           2HG      ARG   4   0.217   0.100   3.347
   25    HG3  ARG   4           1HG      ARG   4   0.857   0.656   1.804
   26    HD2  ARG   4           2HD      ARG   4   1.231   2.816   2.605
   27    HD3  ARG   4           1HD      ARG   4   0.140   2.598   3.973
   28    HE   ARG   4           HE       ARG   4   2.045   0.764   4.410
   29   HH11  ARG   4          1HH1      ARG   4   2.366   4.215   3.652
   30   HH12  ARG   4          2HH1      ARG   4   3.619   4.487   4.771
   31   HH21  ARG   4          1HH2      ARG   4   3.713   1.141   5.956
   32   HH22  ARG   4          2HH2      ARG   4   4.416   2.687   6.142
   33    H    ABA   5           H        ABA   5  -0.866  -1.947   0.459
   34    HA   ABA   5           HA       ABA   5  -0.641  -3.416   2.990
   35    HB3  ABA   5           1HB      ABA   5  -1.002  -5.531   1.711
   36    HB2  ABA   5           2HB      ABA   5  -1.299  -4.587   0.265
   37    HG1  ABA   5           3HG      ABA   5  -2.989  -4.537   2.744
   38    HG3  ABA   5           1HG      ABA   5  -3.364  -5.388   1.245
   39    HG2  ABA   5           2HG      ABA   5  -3.280  -3.627   1.264
   40    H    VAL   6           H        VAL   6   1.136  -1.708   1.617
   41    HA   VAL   6           HA       VAL   6   3.350  -3.566   1.012
   42    HB   VAL   6           HB       VAL   6   2.959  -0.962  -0.445
   43   HG11  VAL   6          1HG1      VAL   6   4.661  -1.826  -1.999
   44   HG12  VAL   6          2HG1      VAL   6   4.826  -3.257  -0.986
   45   HG13  VAL   6          3HG1      VAL   6   5.251  -1.672  -0.344
   46   HG21  VAL   6          3HG2      VAL   6   1.139  -2.420  -1.138
   47   HG22  VAL   6          1HG2      VAL   6   2.282  -3.721  -1.469
   48   HG23  VAL   6          2HG2      VAL   6   2.304  -2.256  -2.453
   49    H    ABA   7           H        ABA   7   5.019  -3.111   2.250
   50    HA   ABA   7           HA       ABA   7   5.489  -0.368   3.093
   51    HB3  ABA   7           1HB      ABA   7   5.562  -2.666   5.061
   52    HB2  ABA   7           2HB      ABA   7   4.199  -1.570   4.898
   53    HG1  ABA   7           3HG      ABA   7   5.582  -0.922   6.778
   54    HG3  ABA   7           1HG      ABA   7   5.652   0.312   5.524
   55    HG2  ABA   7           2HG      ABA   7   6.998  -0.812   5.732
   56    H    ARG   8           H        ARG   8   6.958  -1.035   1.210
   57    HA   ARG   8           HA       ARG   8   9.332  -2.397   2.125
   58    HB2  ARG   8           2HB      ARG   8   8.467  -1.312  -0.552
   59    HB3  ARG   8           1HB      ARG   8  10.050  -2.034  -0.265
   60    HG2  ARG   8           2HG      ARG   8   8.957  -4.148   0.307
   61    HG3  ARG   8           1HG      ARG   8   7.382  -3.407   0.012
   62    HD2  ARG   8           2HD      ARG   8   8.136  -4.715  -1.917
   63    HD3  ARG   8           1HD      ARG   8   7.984  -3.000  -2.306
   64    HE   ARG   8           HE       ARG   8  10.615  -3.825  -1.487
   65   HH11  ARG   8          1HH1      ARG   8   8.455  -3.480  -4.260
   66   HH12  ARG   8          2HH1      ARG   8   9.701  -3.325  -5.401
   67   HH21  ARG   8          1HH2      ARG   8  12.334  -3.617  -3.032
   68   HH22  ARG   8          2HH2      ARG   8  11.991  -3.404  -4.678
   69    H    ARG   9           H        ARG   9  11.253  -1.307   2.126
   70    HA   ARG   9           HA       ARG   9  11.031   1.287   3.227
   71    HB2  ARG   9           2HB      ARG   9  13.522  -0.236   2.503
   72    HB3  ARG   9           1HB      ARG   9  13.483   1.243   3.447
   73    HG2  ARG   9           2HG      ARG   9  12.178  -1.355   4.215
   74    HG3  ARG   9           1HG      ARG   9  13.685  -0.725   4.882
   75    HD2  ARG   9           2HD      ARG   9  12.464   1.243   5.720
   76    HD3  ARG   9           1HD      ARG   9  10.969   0.569   5.081
   77    HE   ARG   9           HE       ARG   9  11.893  -1.393   6.631
   78   HH11  ARG   9          1HH1      ARG   9  11.269   2.029   7.202
   79   HH12  ARG   9          2HH1      ARG   9  10.954   1.833   8.863
   80   HH21  ARG   9          1HH2      ARG   9  11.469  -1.666   8.909
   81   HH22  ARG   9          2HH2      ARG   9  11.090  -0.325   9.863
   82    H    GLY  10           H        GLY  10  10.454   2.871   2.017
   83    HA2  GLY  10           2HA      GLY  10  11.120   4.693   0.671
   84    HA3  GLY  10           1HA      GLY  10  12.198   3.612  -0.212
   85    H    VAL  11           H        VAL  11   9.626   1.783   0.087
   86    HA   VAL  11           HA       VAL  11   8.202   2.892  -2.210
   87    HB   VAL  11           HB       VAL  11   8.923  -0.069  -2.007
   88   HG11  VAL  11          1HG1      VAL  11   8.181  -0.198  -4.345
   89   HG12  VAL  11          2HG1      VAL  11   7.754   1.507  -4.300
   90   HG13  VAL  11          3HG1      VAL  11   6.898   0.357  -3.270
   91   HG21  VAL  11          3HG2      VAL  11  10.534   0.266  -3.829
   92   HG22  VAL  11          1HG2      VAL  11  10.980   1.198  -2.400
   93   HG23  VAL  11          2HG2      VAL  11  10.232   2.001  -3.783
   94    H    ABA  12           H        ABA  12   7.213   3.353   0.092
   95    HA   ABA  12           HA       ABA  12   5.425   1.219   0.929
   96    HB3  ABA  12           1HB      ABA  12   4.607   2.895   2.606
   97    HB2  ABA  12           2HB      ABA  12   5.708   4.082   1.919
   98    HG1  ABA  12           3HG      ABA  12   6.606   3.142   3.954
   99    HG3  ABA  12           1HG      ABA  12   7.611   2.705   2.574
  100    HG2  ABA  12           2HG      ABA  12   6.509   1.520   3.272
  101    H    ARG  13           H        ARG  13   4.301   0.969  -0.932
  102    HA   ARG  13           HA       ARG  13   3.130   3.019  -2.460
  103    HB2  ARG  13           2HB      ARG  13   3.608   0.656  -3.207
  104    HB3  ARG  13           1HB      ARG  13   2.206   0.148  -2.281
  105    HG2  ARG  13           2HG      ARG  13   1.555   0.335  -4.566
  106    HG3  ARG  13           1HG      ARG  13   0.813   1.670  -3.686
  107    HD2  ARG  13           2HD      ARG  13   1.735   2.431  -5.811
  108    HD3  ARG  13           1HD      ARG  13   2.597   3.175  -4.467
  109    HE   ARG  13           HE       ARG  13   3.735   0.740  -5.588
  110   HH11  ARG  13          1HH1      ARG  13   3.863   4.287  -5.533
  111   HH12  ARG  13          2HH1      ARG  13   5.432   4.371  -6.154
  112   HH21  ARG  13          1HH2      ARG  13   5.899   0.870  -6.395
  113   HH22  ARG  13          2HH2      ARG  13   6.628   2.394  -6.659
  114    H    ABA  14           H        ABA  14   1.655   4.363  -1.677
  115    HA   ABA  14           HA       ABA  14  -0.298   3.405   0.234
  116    HB3  ABA  14           1HB      ABA  14  -0.945   5.804   0.417
  117    HB2  ABA  14           2HB      ABA  14   0.283   6.196  -0.783
  118    HG1  ABA  14           3HG      ABA  14   1.082   6.663   1.454
  119    HG3  ABA  14           1HG      ABA  14   2.016   5.360   0.725
  120    HG2  ABA  14           2HG      ABA  14   0.781   4.998   1.932
  121    H    VAL  15           H        VAL  15  -2.371   3.086  -0.265
  122    HA   VAL  15           HA       VAL  15  -3.556   4.164  -2.594
  123    HB   VAL  15           HB       VAL  15  -2.379   2.220  -3.558
  124   HG11  VAL  15          1HG1      VAL  15  -2.126   0.803  -1.640
  125   HG12  VAL  15          2HG1      VAL  15  -2.954  -0.098  -2.912
  126   HG13  VAL  15          3HG1      VAL  15  -3.869   0.548  -1.546
  127   HG21  VAL  15          3HG2      VAL  15  -4.502   2.751  -4.578
  128   HG22  VAL  15          1HG2      VAL  15  -5.361   1.778  -3.383
  129   HG23  VAL  15          2HG2      VAL  15  -4.305   0.999  -4.555
  130    H    ABA  16           H        ABA  16  -5.789   3.933  -2.425
  131    HA   ABA  16           HA       ABA  16  -7.008   2.335  -0.399
  132    HB3  ABA  16           1HB      ABA  16  -7.187   5.357  -0.097
  133    HB2  ABA  16           2HB      ABA  16  -6.217   4.322   0.943
  134    HG1  ABA  16           3HG      ABA  16  -9.207   4.216   0.665
  135    HG3  ABA  16           1HG      ABA  16  -8.311   4.927   2.008
  136    HG2  ABA  16           2HG      ABA  16  -8.224   3.188   1.707
  137    H    ARG  17           H        ARG  17  -7.930   1.523  -2.225
  138    HA   ARG  17           HA       ARG  17 -10.005   3.203  -3.394
  139    HB2  ARG  17           2HB      ARG  17  -8.264   1.245  -4.903
  140    HB3  ARG  17           1HB      ARG  17  -9.652   2.084  -5.565
  141    HG2  ARG  17           2HG      ARG  17  -7.104   3.364  -4.600
  142    HG3  ARG  17           1HG      ARG  17  -7.560   3.106  -6.288
  143    HD2  ARG  17           2HD      ARG  17  -8.995   4.869  -4.291
  144    HD3  ARG  17           1HD      ARG  17  -7.967   5.415  -5.614
  145    HE   ARG  17           HE       ARG  17  -9.796   3.946  -6.879
  146   HH11  ARG  17          1HH1      ARG  17 -10.081   6.593  -4.561
  147   HH12  ARG  17          2HH1      ARG  17 -11.577   7.150  -5.151
  148   HH21  ARG  17          1HH2      ARG  17 -11.922   4.724  -7.694
  149   HH22  ARG  17          2HH2      ARG  17 -12.626   6.079  -6.954
  150    H    ARG  18           H        ARG  18 -11.799   2.383  -2.683
  151    HA   ARG  18           HA       ARG  18 -13.535   1.024  -2.223
  152    HB2  ARG  18           2HB      ARG  18 -12.248  -0.620  -4.365
  153    HB3  ARG  18           1HB      ARG  18 -13.905  -0.865  -3.818
  154    HG2  ARG  18           2HG      ARG  18 -14.429   1.427  -4.601
  155    HG3  ARG  18           1HG      ARG  18 -12.771   1.570  -5.196
  156    HD2  ARG  18           2HD      ARG  18 -14.215   0.980  -7.027
  157    HD3  ARG  18           1HD      ARG  18 -13.172  -0.395  -6.649
  158    HE   ARG  18           HE       ARG  18 -15.857  -0.261  -5.524
  159   HH11  ARG  18          1HH1      ARG  18 -13.626  -1.824  -7.805
  160   HH12  ARG  18          2HH1      ARG  18 -14.648  -3.139  -8.129
  161   HH21  ARG  18          1HH2      ARG  18 -17.258  -2.083  -5.978
  162   HH22  ARG  18          2HH2      ARG  18 -16.778  -3.290  -7.062
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1 -10.585  -0.464  -0.633
    2    HA2  GLY   1           2HA      GLY   1 -11.517  -2.786  -0.710
    3    HA3  GLY   1           1HA      GLY   1 -11.534  -2.577  -2.457
    4    H    VAL   2           H        VAL   2  -9.048  -1.021  -2.369
    5    HA   VAL   2           HA       VAL   2  -7.196  -3.248  -1.982
    6    HB   VAL   2           HB       VAL   2  -7.016  -1.113  -4.132
    7   HG11  VAL   2          1HG1      VAL   2  -5.266  -3.527  -3.662
    8   HG12  VAL   2          2HG1      VAL   2  -4.816  -1.852  -3.367
    9   HG13  VAL   2          3HG1      VAL   2  -5.129  -2.401  -5.014
   10   HG21  VAL   2          3HG2      VAL   2  -8.786  -2.718  -4.599
   11   HG22  VAL   2          1HG2      VAL   2  -7.657  -4.053  -4.382
   12   HG23  VAL   2          2HG2      VAL   2  -7.446  -2.927  -5.726
   13    H    ABA   3           H        ABA   3  -6.616  -2.611   0.027
   14    HA   ABA   3           HA       ABA   3  -5.098  -0.108   0.206
   15    HB3  ABA   3           1HB      ABA   3  -5.598  -0.121   2.658
   16    HB2  ABA   3           2HB      ABA   3  -6.658  -1.500   2.406
   17    HG1  ABA   3           3HG      ABA   3  -7.047   1.237   1.225
   18    HG3  ABA   3           1HG      ABA   3  -7.927   0.556   2.593
   19    HG2  ABA   3           2HG      ABA   3  -8.102  -0.155   0.985
   20    H    ARG   4           H        ARG   4  -3.245  -1.057  -0.409
   21    HA   ARG   4           HA       ARG   4  -2.263  -3.510   0.699
   22    HB2  ARG   4           2HB      ARG   4  -0.811  -1.393  -0.903
   23    HB3  ARG   4           1HB      ARG   4  -0.226  -3.013  -0.563
   24    HG2  ARG   4           2HG      ARG   4  -1.990  -3.981  -1.875
   25    HG3  ARG   4           1HG      ARG   4  -2.701  -2.388  -2.160
   26    HD2  ARG   4           2HD      ARG   4  -0.641  -1.702  -3.311
   27    HD3  ARG   4           1HD      ARG   4   0.029  -3.312  -3.051
   28    HE   ARG   4           HE       ARG   4  -2.380  -3.670  -4.340
   29   HH11  ARG   4          1HH1      ARG   4   0.758  -2.143  -5.085
   30   HH12  ARG   4          2HH1      ARG   4   0.586  -2.365  -6.759
   31   HH21  ARG   4          1HH2      ARG   4  -2.571  -3.923  -6.675
   32   HH22  ARG   4          2HH2      ARG   4  -1.310  -3.395  -7.678
   33    H    ABA   5           H        ABA   5  -1.311  -3.710   2.624
   34    HA   ABA   5           HA       ABA   5  -0.448  -1.327   4.014
   35    HB3  ABA   5           1HB      ABA   5  -1.736  -2.814   5.393
   36    HB2  ABA   5           2HB      ABA   5  -0.083  -2.912   5.968
   37    HG1  ABA   5           3HG      ABA   5  -1.066  -5.096   5.961
   38    HG3  ABA   5           1HG      ABA   5   0.212  -5.026   4.754
   39    HG2  ABA   5           2HG      ABA   5  -1.481  -4.950   4.257
   40    H    VAL   6           H        VAL   6   1.113  -1.204   2.208
   41    HA   VAL   6           HA       VAL   6   3.384  -2.941   2.474
   42    HB   VAL   6           HB       VAL   6   4.319  -1.677   0.467
   43   HG11  VAL   6          1HG1      VAL   6   2.807  -2.848  -1.091
   44   HG12  VAL   6          2HG1      VAL   6   1.674  -3.106   0.238
   45   HG13  VAL   6          3HG1      VAL   6   3.267  -3.854   0.283
   46   HG21  VAL   6          3HG2      VAL   6   2.983   0.361   0.650
   47   HG22  VAL   6          1HG2      VAL   6   1.506  -0.575   0.438
   48   HG23  VAL   6          2HG2      VAL   6   2.653  -0.448  -0.885
   49    H    ABA   7           H        ABA   7   5.224  -2.581   3.349
   50    HA   ABA   7           HA       ABA   7   6.094   0.115   3.911
   51    HB3  ABA   7           1HB      ABA   7   5.308  -0.630   6.051
   52    HB2  ABA   7           2HB      ABA   7   7.063  -0.837   6.037
   53    HG1  ABA   7           3HG      ABA   7   6.009  -2.722   7.122
   54    HG3  ABA   7           1HG      ABA   7   6.824  -3.214   5.640
   55    HG2  ABA   7           2HG      ABA   7   5.068  -3.049   5.669
   56    H    ARG   8           H        ARG   8   6.983  -0.680   1.726
   57    HA   ARG   8           HA       ARG   8   9.385  -2.278   2.123
   58    HB2  ARG   8           2HB      ARG   8   8.097  -1.602  -0.523
   59    HB3  ARG   8           1HB      ARG   8   9.253  -2.866  -0.176
   60    HG2  ARG   8           2HG      ARG   8   6.364  -2.838   0.700
   61    HG3  ARG   8           1HG      ARG   8   7.038  -3.800  -0.610
   62    HD2  ARG   8           2HD      ARG   8   7.860  -4.017   2.289
   63    HD3  ARG   8           1HD      ARG   8   6.676  -5.054   1.510
   64    HE   ARG   8           HE       ARG   8   8.769  -5.390  -0.076
   65   HH11  ARG   8          1HH1      ARG   8   8.611  -5.419   3.508
   66   HH12  ARG   8          2HH1      ARG   8   9.813  -6.600   3.647
   67   HH21  ARG   8          1HH2      ARG   8  10.415  -7.081   0.222
   68   HH22  ARG   8          2HH2      ARG   8  10.833  -7.550   1.796
   69    H    ARG   9           H        ARG   9  11.211  -1.420   0.959
   70    HA   ARG   9           HA       ARG   9  11.369   1.423   1.269
   71    HB2  ARG   9           2HB      ARG   9  13.439  -0.599   0.389
   72    HB3  ARG   9           1HB      ARG   9  13.776   1.113   0.568
   73    HG2  ARG   9           2HG      ARG   9  13.261   1.043   2.903
   74    HG3  ARG   9           1HG      ARG   9  12.733  -0.631   2.777
   75    HD2  ARG   9           2HD      ARG   9  14.921  -0.516   3.752
   76    HD3  ARG   9           1HD      ARG   9  15.027  -1.280   2.165
   77    HE   ARG   9           HE       ARG   9  15.626   1.300   1.654
   78   HH11  ARG   9          1HH1      ARG   9  16.815  -0.944   4.141
   79   HH12  ARG   9          2HH1      ARG   9  18.381  -0.281   4.174
   80   HH21  ARG   9          1HH2      ARG   9  17.782   2.186   1.695
   81   HH22  ARG   9          2HH2      ARG   9  18.953   1.540   2.747
   82    H    GLY  10           H        GLY  10  10.388   2.569  -0.108
   83    HA2  GLY  10           2HA      GLY  10  10.628   3.707  -2.237
   84    HA3  GLY  10           1HA      GLY  10  10.848   2.119  -2.970
   85    H    VAL  11           H        VAL  11   8.741   1.227  -0.916
   86    HA   VAL  11           HA       VAL  11   6.374   2.127  -2.397
   87    HB   VAL  11           HB       VAL  11   6.854  -0.783  -1.681
   88   HG11  VAL  11          1HG1      VAL  11   4.956  -1.243  -3.131
   89   HG12  VAL  11          2HG1      VAL  11   4.729   0.493  -3.352
   90   HG13  VAL  11          3HG1      VAL  11   4.551  -0.221  -1.751
   91   HG21  VAL  11          3HG2      VAL  11   8.447  -0.187  -3.429
   92   HG22  VAL  11          1HG2      VAL  11   7.144   0.497  -4.398
   93   HG23  VAL  11          2HG2      VAL  11   7.188  -1.236  -4.078
   94    H    ABA  12           H        ABA  12   5.708   3.318  -0.614
   95    HA   ABA  12           HA       ABA  12   5.133   1.778   1.808
   96    HB3  ABA  12           1HB      ABA  12   4.898   3.970   2.935
   97    HB2  ABA  12           2HB      ABA  12   5.330   4.782   1.441
   98    HG1  ABA  12           3HG      ABA  12   7.537   3.712   1.516
   99    HG3  ABA  12           1HG      ABA  12   7.097   2.934   3.033
  100    HG2  ABA  12           2HG      ABA  12   7.222   4.690   2.952
  101    H    ARG  13           H        ARG  13   3.159   2.043   2.754
  102    HA   ARG  13           HA       ARG  13   0.959   1.738   1.128
  103    HB2  ARG  13           2HB      ARG  13  -0.378   1.791   3.204
  104    HB3  ARG  13           1HB      ARG  13   1.062   0.796   3.365
  105    HG2  ARG  13           2HG      ARG  13   2.172   2.583   4.614
  106    HG3  ARG  13           1HG      ARG  13   0.756   3.615   4.410
  107    HD2  ARG  13           2HD      ARG  13   0.572   2.738   6.575
  108    HD3  ARG  13           1HD      ARG  13  -0.545   1.791   5.606
  109    HE   ARG  13           HE       ARG  13   2.134   0.749   6.044
  110   HH11  ARG  13          1HH1      ARG  13  -1.338   0.461   6.689
  111   HH12  ARG  13          2HH1      ARG  13  -1.188  -0.937   7.645
  112   HH21  ARG  13          1HH2      ARG  13   2.323  -1.198   7.410
  113   HH22  ARG  13          2HH2      ARG  13   0.895  -1.871   8.057
  114    H    ABA  14           H        ABA  14   0.334   3.285  -0.244
  115    HA   ABA  14           HA       ABA  14  -1.032   5.546   0.902
  116    HB3  ABA  14           1HB      ABA  14   1.040   6.041  -1.266
  117    HB2  ABA  14           2HB      ABA  14   1.367   6.322   0.438
  118    HG1  ABA  14           3HG      ABA  14   0.800   8.396  -0.727
  119    HG3  ABA  14           1HG      ABA  14  -0.388   8.003   0.520
  120    HG2  ABA  14           2HG      ABA  14  -0.765   7.708  -1.171
  121    H    VAL  15           H        VAL  15  -2.064   3.346  -0.081
  122    HA   VAL  15           HA       VAL  15  -2.914   3.939  -2.838
  123    HB   VAL  15           HB       VAL  15  -3.392   1.417  -1.357
  124   HG11  VAL  15          1HG1      VAL  15  -3.325   2.011  -4.303
  125   HG12  VAL  15          2HG1      VAL  15  -4.741   1.674  -3.301
  126   HG13  VAL  15          3HG1      VAL  15  -3.561   0.404  -3.610
  127   HG21  VAL  15          3HG2      VAL  15  -0.978   1.652  -1.329
  128   HG22  VAL  15          1HG2      VAL  15  -0.970   1.965  -3.064
  129   HG23  VAL  15          2HG2      VAL  15  -1.422   0.372  -2.460
  130    H    ABA  16           H        ABA  16  -4.673   5.068  -2.644
  131    HA   ABA  16           HA       ABA  16  -6.589   4.484  -0.514
  132    HB3  ABA  16           1HB      ABA  16  -7.566   6.697  -1.086
  133    HB2  ABA  16           2HB      ABA  16  -6.288   6.915  -2.265
  134    HG1  ABA  16           3HG      ABA  16  -5.775   8.109  -0.220
  135    HG3  ABA  16           1HG      ABA  16  -4.614   6.808  -0.481
  136    HG2  ABA  16           2HG      ABA  16  -5.905   6.613   0.704
  137    H    ARG  17           H        ARG  17  -6.919   2.560  -2.002
  138    HA   ARG  17           HA       ARG  17  -8.971   3.202  -3.973
  139    HB2  ARG  17           2HB      ARG  17  -7.265   0.752  -3.633
  140    HB3  ARG  17           1HB      ARG  17  -8.576   0.866  -4.800
  141    HG2  ARG  17           2HG      ARG  17  -6.015   2.457  -4.766
  142    HG3  ARG  17           1HG      ARG  17  -6.434   1.148  -5.872
  143    HD2  ARG  17           2HD      ARG  17  -8.336   2.514  -6.667
  144    HD3  ARG  17           1HD      ARG  17  -7.766   3.835  -5.640
  145    HE   ARG  17           HE       ARG  17  -6.024   2.657  -7.673
  146   HH11  ARG  17          1HH1      ARG  17  -7.689   5.560  -6.413
  147   HH12  ARG  17          2HH1      ARG  17  -6.913   6.583  -7.523
  148   HH21  ARG  17          1HH2      ARG  17  -5.033   4.106  -9.140
  149   HH22  ARG  17          2HH2      ARG  17  -5.406   5.771  -9.077
  150    H    ARG  18           H        ARG  18 -10.976   2.594  -3.412
  151    HA   ARG  18           HA       ARG  18 -11.421   1.507  -0.823
  152    HB2  ARG  18           2HB      ARG  18 -13.377   1.934  -3.088
  153    HB3  ARG  18           1HB      ARG  18 -13.817   1.515  -1.439
  154    HG2  ARG  18           2HG      ARG  18 -12.415   4.032  -2.301
  155    HG3  ARG  18           1HG      ARG  18 -14.121   3.897  -1.880
  156    HD2  ARG  18           2HD      ARG  18 -13.440   3.167   0.410
  157    HD3  ARG  18           1HD      ARG  18 -11.757   3.449  -0.041
  158    HE   ARG  18           HE       ARG  18 -13.123   5.769  -0.613
  159   HH11  ARG  18          1HH1      ARG  18 -12.414   3.933   2.335
  160   HH12  ARG  18          2HH1      ARG  18 -12.495   5.292   3.345
  161   HH21  ARG  18          1HH2      ARG  18 -13.242   7.584   0.761
  162   HH22  ARG  18          2HH2      ARG  18 -12.977   7.438   2.445
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1 -11.192  -1.834  -0.958
    2    HA2  GLY   1           2HA      GLY   1 -11.861  -3.784  -2.382
    3    HA3  GLY   1           1HA      GLY   1 -11.906  -2.621  -3.710
    4    H    VAL   2           H        VAL   2  -9.673  -1.141  -2.895
    5    HA   VAL   2           HA       VAL   2  -7.500  -3.040  -3.026
    6    HB   VAL   2           HB       VAL   2  -6.269  -1.433  -4.633
    7   HG11  VAL   2          1HG1      VAL   2  -7.046  -3.618  -5.341
    8   HG12  VAL   2          2HG1      VAL   2  -7.290  -2.436  -6.631
    9   HG13  VAL   2          3HG1      VAL   2  -8.655  -2.968  -5.653
   10   HG21  VAL   2          3HG2      VAL   2  -9.102  -0.488  -5.121
   11   HG22  VAL   2          1HG2      VAL   2  -7.716  -0.125  -6.150
   12   HG23  VAL   2          2HG2      VAL   2  -7.757   0.470  -4.500
   13    H    ABA   3           H        ABA   3  -7.260  -2.668  -0.882
   14    HA   ABA   3           HA       ABA   3  -6.186  -0.046  -0.189
   15    HB3  ABA   3           1HB      ABA   3  -7.030  -2.317   1.638
   16    HB2  ABA   3           2HB      ABA   3  -8.015  -0.904   1.271
   17    HG1  ABA   3           3HG      ABA   3  -6.958  -0.668   3.440
   18    HG3  ABA   3           1HG      ABA   3  -6.332   0.537   2.317
   19    HG2  ABA   3           2HG      ABA   3  -5.369  -0.887   2.708
   20    H    ARG   4           H        ARG   4  -4.103   0.044  -0.427
   21    HA   ARG   4           HA       ARG   4  -2.469  -2.277   0.258
   22    HB2  ARG   4           2HB      ARG   4  -2.161  -0.446  -2.115
   23    HB3  ARG   4           1HB      ARG   4  -0.918  -1.555  -1.574
   24    HG2  ARG   4           2HG      ARG   4  -2.416  -3.448  -1.940
   25    HG3  ARG   4           1HG      ARG   4  -3.688  -2.346  -2.466
   26    HD2  ARG   4           2HD      ARG   4  -2.533  -3.423  -4.347
   27    HD3  ARG   4           1HD      ARG   4  -2.352  -1.667  -4.357
   28    HE   ARG   4           HE       ARG   4  -0.131  -1.875  -3.866
   29   HH11  ARG   4          1HH1      ARG   4  -1.597  -5.096  -3.855
   30   HH12  ARG   4          2HH1      ARG   4  -0.126  -5.920  -4.079
   31   HH21  ARG   4          1HH2      ARG   4   1.918  -3.041  -4.209
   32   HH22  ARG   4          2HH2      ARG   4   1.891  -4.738  -4.278
   33    H    ABA   5           H        ABA   5  -1.846  -1.546   2.143
   34    HA   ABA   5           HA       ABA   5  -0.433   0.992   2.241
   35    HB3  ABA   5           1HB      ABA   5  -2.447   1.393   3.463
   36    HB2  ABA   5           2HB      ABA   5  -1.195   1.133   4.672
   37    HG1  ABA   5           3HG      ABA   5  -3.244  -0.899   3.816
   38    HG3  ABA   5           1HG      ABA   5  -3.258   0.028   5.313
   39    HG2  ABA   5           2HG      ABA   5  -1.979  -1.151   5.017
   40    H    VAL   6           H        VAL   6   1.500   0.195   1.963
   41    HA   VAL   6           HA       VAL   6   2.561  -1.477   4.045
   42    HB   VAL   6           HB       VAL   6   1.865  -3.129   2.476
   43   HG11  VAL   6          1HG1      VAL   6   3.470  -1.666   0.375
   44   HG12  VAL   6          2HG1      VAL   6   1.712  -1.823   0.436
   45   HG13  VAL   6          3HG1      VAL   6   2.713  -3.243   0.152
   46   HG21  VAL   6          3HG2      VAL   6   4.017  -4.240   1.930
   47   HG22  VAL   6          1HG2      VAL   6   3.948  -3.615   3.579
   48   HG23  VAL   6          2HG2      VAL   6   4.850  -2.738   2.344
   49    H    ABA   7           H        ABA   7   4.476  -0.964   4.591
   50    HA   ABA   7           HA       ABA   7   5.916   1.086   3.104
   51    HB3  ABA   7           1HB      ABA   7   6.466  -0.158   5.816
   52    HB2  ABA   7           2HB      ABA   7   5.620   1.363   5.562
   53    HG1  ABA   7           3HG      ABA   7   7.937   1.715   6.260
   54    HG3  ABA   7           1HG      ABA   7   7.648   2.356   4.642
   55    HG2  ABA   7           2HG      ABA   7   8.495   0.826   4.844
   56    H    ARG   8           H        ARG   8   6.972   0.118   1.437
   57    HA   ARG   8           HA       ARG   8   8.315  -2.384   1.968
   58    HB2  ARG   8           2HB      ARG   8   7.999  -0.940  -0.666
   59    HB3  ARG   8           1HB      ARG   8   8.614  -2.564  -0.427
   60    HG2  ARG   8           2HG      ARG   8   6.318  -3.141   0.485
   61    HG3  ARG   8           1HG      ARG   8   5.795  -1.578  -0.149
   62    HD2  ARG   8           2HD      ARG   8   6.893  -3.929  -1.681
   63    HD3  ARG   8           1HD      ARG   8   5.289  -3.219  -1.799
   64    HE   ARG   8           HE       ARG   8   7.336  -1.351  -2.456
   65   HH11  ARG   8          1HH1      ARG   8   5.331  -3.974  -3.792
   66   HH12  ARG   8          2HH1      ARG   8   5.679  -3.601  -5.403
   67   HH21  ARG   8          1HH2      ARG   8   7.835  -0.882  -4.774
   68   HH22  ARG   8          2HH2      ARG   8   7.110  -1.844  -5.959
   69    H    ARG   9           H        ARG   9  10.440  -2.515   1.727
   70    HA   ARG   9           HA       ARG   9  12.000  -0.192   2.250
   71    HB2  ARG   9           2HB      ARG   9  12.830  -3.030   1.592
   72    HB3  ARG   9           1HB      ARG   9  13.925  -1.772   2.153
   73    HG2  ARG   9           2HG      ARG   9  12.785  -1.638   4.264
   74    HG3  ARG   9           1HG      ARG   9  11.540  -2.752   3.705
   75    HD2  ARG   9           2HD      ARG   9  13.136  -3.860   5.171
   76    HD3  ARG   9           1HD      ARG   9  13.198  -4.533   3.547
   77    HE   ARG   9           HE       ARG   9  15.178  -2.877   3.337
   78   HH11  ARG   9          1HH1      ARG   9  14.368  -4.705   6.261
   79   HH12  ARG   9          2HH1      ARG   9  15.987  -4.938   6.717
   80   HH21  ARG   9          1HH2      ARG   9  17.396  -3.179   4.018
   81   HH22  ARG   9          2HH2      ARG   9  17.733  -4.044   5.454
   82    H    GLY  10           H        GLY  10  11.642   1.132   0.523
   83    HA2  GLY  10           2HA      GLY  10  13.324   1.553  -1.423
   84    HA3  GLY  10           1HA      GLY  10  12.385   0.242  -2.137
   85    H    VAL  11           H        VAL  11   9.915   1.198  -0.665
   86    HA   VAL  11           HA       VAL  11   9.244   3.751  -1.486
   87    HB   VAL  11           HB       VAL  11   9.422   2.925  -3.801
   88   HG11  VAL  11          1HG1      VAL  11   7.992   1.156  -4.676
   89   HG12  VAL  11          2HG1      VAL  11   7.368   0.867  -3.051
   90   HG13  VAL  11          3HG1      VAL  11   9.067   0.562  -3.407
   91   HG21  VAL  11          3HG2      VAL  11   7.678   4.578  -3.392
   92   HG22  VAL  11          1HG2      VAL  11   6.541   3.294  -2.991
   93   HG23  VAL  11          2HG2      VAL  11   7.161   3.441  -4.635
   94    H    ABA  12           H        ABA  12   7.542   4.310  -0.357
   95    HA   ABA  12           HA       ABA  12   6.039   2.310   1.121
   96    HB3  ABA  12           1HB      ABA  12   5.070   4.225   2.310
   97    HB2  ABA  12           2HB      ABA  12   5.847   5.336   1.181
   98    HG1  ABA  12           3HG      ABA  12   7.034   5.212   3.316
   99    HG3  ABA  12           1HG      ABA  12   8.025   4.659   1.964
  100    HG2  ABA  12           2HG      ABA  12   7.292   3.483   3.045
  101    H    ARG  13           H        ARG  13   3.882   1.826   0.772
  102    HA   ARG  13           HA       ARG  13   2.551   3.248  -1.419
  103    HB2  ARG  13           2HB      ARG  13   2.345   0.318  -0.695
  104    HB3  ARG  13           1HB      ARG  13   1.442   1.118  -1.957
  105    HG2  ARG  13           2HG      ARG  13   4.435   0.719  -1.897
  106    HG3  ARG  13           1HG      ARG  13   3.280  -0.129  -2.932
  107    HD2  ARG  13           2HD      ARG  13   3.864   2.840  -2.971
  108    HD3  ARG  13           1HD      ARG  13   4.438   1.669  -4.147
  109    HE   ARG  13           HE       ARG  13   1.936   1.249  -4.470
  110   HH11  ARG  13          1HH1      ARG  13   3.312   4.465  -3.769
  111   HH12  ARG  13          2HH1      ARG  13   2.123   5.276  -4.668
  112   HH21  ARG  13          1HH2      ARG  13   0.318   2.441  -5.709
  113   HH22  ARG  13          2HH2      ARG  13   0.424   4.131  -5.775
  114    H    ABA  14           H        ABA  14   0.567   4.047  -0.907
  115    HA   ABA  14           HA       ABA  14  -0.807   2.914   1.373
  116    HB3  ABA  14           1HB      ABA  14  -0.226   5.883   1.162
  117    HB2  ABA  14           2HB      ABA  14   0.602   4.785   2.257
  118    HG1  ABA  14           3HG      ABA  14  -2.337   5.429   2.317
  119    HG3  ABA  14           1HG      ABA  14  -1.117   6.049   3.425
  120    HG2  ABA  14           2HG      ABA  14  -1.503   4.331   3.414
  121    H    VAL  15           H        VAL  15  -1.941   2.173  -0.529
  122    HA   VAL  15           HA       VAL  15  -3.657   4.150  -1.813
  123    HB   VAL  15           HB       VAL  15  -3.781   1.176  -2.146
  124   HG11  VAL  15          1HG1      VAL  15  -4.708   3.399  -3.955
  125   HG12  VAL  15          2HG1      VAL  15  -5.720   2.367  -2.949
  126   HG13  VAL  15          3HG1      VAL  15  -4.834   1.674  -4.306
  127   HG21  VAL  15          3HG2      VAL  15  -2.379   1.397  -4.182
  128   HG22  VAL  15          1HG2      VAL  15  -1.504   1.833  -2.715
  129   HG23  VAL  15          2HG2      VAL  15  -2.115   3.093  -3.788
  130    H    ABA  16           H        ABA  16  -5.418   4.638  -0.820
  131    HA   ABA  16           HA       ABA  16  -6.654   2.763   1.052
  132    HB3  ABA  16           1HB      ABA  16  -7.548   4.789   2.178
  133    HB2  ABA  16           2HB      ABA  16  -6.580   5.783   1.103
  134    HG1  ABA  16           3HG      ABA  16  -5.492   5.546   3.253
  135    HG3  ABA  16           1HG      ABA  16  -4.543   4.770   1.983
  136    HG2  ABA  16           2HG      ABA  16  -5.509   3.789   3.085
  137    H    ARG  17           H        ARG  17  -7.803   1.897  -0.758
  138    HA   ARG  17           HA       ARG  17 -10.158   3.473  -1.388
  139    HB2  ARG  17           2HB      ARG  17  -8.435   1.871  -3.249
  140    HB3  ARG  17           1HB      ARG  17 -10.124   2.199  -3.620
  141    HG2  ARG  17           2HG      ARG  17  -9.662   4.584  -3.618
  142    HG3  ARG  17           1HG      ARG  17  -7.982   4.265  -3.169
  143    HD2  ARG  17           2HD      ARG  17  -8.280   4.707  -5.588
  144    HD3  ARG  17           1HD      ARG  17  -7.586   3.126  -5.243
  145    HE   ARG  17           HE       ARG  17 -10.433   3.056  -5.519
  146   HH11  ARG  17          1HH1      ARG  17  -7.425   3.087  -7.398
  147   HH12  ARG  17          2HH1      ARG  17  -8.048   2.188  -8.702
  148   HH21  ARG  17          1HH2      ARG  17 -11.305   1.816  -7.338
  149   HH22  ARG  17          2HH2      ARG  17 -10.306   1.415  -8.648
  150    H    ARG  18           H        ARG  18 -11.986   2.178  -1.827
  151    HA   ARG  18           HA       ARG  18 -12.156  -0.117  -0.115
  152    HB2  ARG  18           2HB      ARG  18 -14.179   1.258  -1.870
  153    HB3  ARG  18           1HB      ARG  18 -14.546  -0.097  -0.817
  154    HG2  ARG  18           2HG      ARG  18 -13.957   1.215   1.123
  155    HG3  ARG  18           1HG      ARG  18 -13.494   2.560   0.067
  156    HD2  ARG  18           2HD      ARG  18 -15.722   2.776  -0.739
  157    HD3  ARG  18           1HD      ARG  18 -16.243   1.343   0.143
  158    HE   ARG  18           HE       ARG  18 -15.265   2.961   2.057
  159   HH11  ARG  18          1HH1      ARG  18 -17.584   3.577  -0.531
  160   HH12  ARG  18          2HH1      ARG  18 -18.655   4.481   0.424
  161   HH21  ARG  18          1HH2      ARG  18 -16.696   4.262   3.392
  162   HH22  ARG  18          2HH2      ARG  18 -18.105   4.926   2.719
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1 -10.197  -0.977  -0.638
    2    HA2  GLY   1           2HA      GLY   1 -11.346  -3.339  -1.261
    3    HA3  GLY   1           1HA      GLY   1 -11.127  -2.558  -2.830
    4    H    VAL   2           H        VAL   2  -8.842  -1.126  -2.400
    5    HA   VAL   2           HA       VAL   2  -6.844  -3.055  -1.644
    6    HB   VAL   2           HB       VAL   2  -5.432  -2.308  -3.630
    7   HG11  VAL   2          1HG1      VAL   2  -6.513  -3.814  -5.251
    8   HG12  VAL   2          2HG1      VAL   2  -7.978  -3.795  -4.273
    9   HG13  VAL   2          3HG1      VAL   2  -6.497  -4.495  -3.625
   10   HG21  VAL   2          3HG2      VAL   2  -6.678  -0.289  -4.243
   11   HG22  VAL   2          1HG2      VAL   2  -8.079  -1.273  -4.667
   12   HG23  VAL   2          2HG2      VAL   2  -6.592  -1.405  -5.607
   13    H    ABA   3           H        ABA   3  -5.782  -2.202  -0.132
   14    HA   ABA   3           HA       ABA   3  -5.190   0.674  -0.161
   15    HB3  ABA   3           1HB      ABA   3  -5.001   0.530   2.326
   16    HB2  ABA   3           2HB      ABA   3  -5.529  -1.144   2.248
   17    HG1  ABA   3           3HG      ABA   3  -7.355   0.304   2.898
   18    HG3  ABA   3           1HG      ABA   3  -7.677  -0.427   1.327
   19    HG2  ABA   3           2HG      ABA   3  -7.155   1.252   1.426
   20    H    ARG   4           H        ARG   4  -3.170   0.998   1.439
   21    HA   ARG   4           HA       ARG   4  -1.000  -0.312   0.207
   22    HB2  ARG   4           2HB      ARG   4   0.439   0.753   1.989
   23    HB3  ARG   4           1HB      ARG   4  -0.499   1.854   1.004
   24    HG2  ARG   4           2HG      ARG   4  -2.042   2.223   2.786
   25    HG3  ARG   4           1HG      ARG   4  -1.284   0.964   3.766
   26    HD2  ARG   4           2HD      ARG   4   0.175   3.427   2.801
   27    HD3  ARG   4           1HD      ARG   4  -0.631   3.337   4.362
   28    HE   ARG   4           HE       ARG   4   1.003   1.162   4.334
   29   HH11  ARG   4          1HH1      ARG   4   1.715   4.576   3.698
   30   HH12  ARG   4          2HH1      ARG   4   3.162   4.588   4.570
   31   HH21  ARG   4          1HH2      ARG   4   3.023   1.182   5.492
   32   HH22  ARG   4          2HH2      ARG   4   3.952   2.618   5.572
   33    H    ABA   5           H        ABA   5  -0.916  -2.403   0.376
   34    HA   ABA   5           HA       ABA   5  -0.953  -3.587   3.045
   35    HB3  ABA   5           1HB      ABA   5  -1.049  -5.785   1.867
   36    HB2  ABA   5           2HB      ABA   5  -0.991  -4.933   0.330
   37    HG1  ABA   5           3HG      ABA   5  -3.119  -3.860   0.837
   38    HG3  ABA   5           1HG      ABA   5  -3.184  -4.722   2.372
   39    HG2  ABA   5           2HG      ABA   5  -3.251  -5.621   0.858
   40    H    VAL   6           H        VAL   6   1.117  -2.006   1.877
   41    HA   VAL   6           HA       VAL   6   3.329  -3.847   2.254
   42    HB   VAL   6           HB       VAL   6   4.619  -2.593   0.488
   43   HG11  VAL   6          1HG1      VAL   6   2.224  -4.185  -0.444
   44   HG12  VAL   6          2HG1      VAL   6   3.780  -4.846   0.058
   45   HG13  VAL   6          3HG1      VAL   6   3.669  -3.868  -1.407
   46   HG21  VAL   6          3HG2      VAL   6   3.191  -0.634   0.258
   47   HG22  VAL   6          1HG2      VAL   6   1.872  -1.641  -0.339
   48   HG23  VAL   6          2HG2      VAL   6   3.343  -1.453  -1.293
   49    H    ABA   7           H        ABA   7   4.721  -3.140   3.708
   50    HA   ABA   7           HA       ABA   7   5.000  -0.282   4.022
   51    HB3  ABA   7           1HB      ABA   7   3.874  -0.973   6.026
   52    HB2  ABA   7           2HB      ABA   7   5.581  -0.800   6.425
   53    HG1  ABA   7           3HG      ABA   7   4.201  -3.409   5.937
   54    HG3  ABA   7           1HG      ABA   7   4.640  -2.744   7.507
   55    HG2  ABA   7           2HG      ABA   7   5.899  -3.185   6.353
   56    H    ARG   8           H        ARG   8   6.387  -1.184   2.223
   57    HA   ARG   8           HA       ARG   8   9.001  -1.968   3.224
   58    HB2  ARG   8           2HB      ARG   8   7.712  -2.161   0.508
   59    HB3  ARG   8           1HB      ARG   8   9.435  -2.377   0.740
   60    HG2  ARG   8           2HG      ARG   8   7.270  -4.063   1.983
   61    HG3  ARG   8           1HG      ARG   8   8.227  -4.494   0.564
   62    HD2  ARG   8           2HD      ARG   8   9.257  -4.024   3.361
   63    HD3  ARG   8           1HD      ARG   8   9.140  -5.573   2.530
   64    HE   ARG   8           HE       ARG   8  10.714  -3.773   1.030
   65   HH11  ARG   8          1HH1      ARG   8  10.892  -5.849   3.906
   66   HH12  ARG   8          2HH1      ARG   8  12.588  -5.916   3.896
   67   HH21  ARG   8          1HH2      ARG   8  13.010  -3.872   1.042
   68   HH22  ARG   8          2HH2      ARG   8  13.842  -4.779   2.212
   69    H    ARG   9           H        ARG   9  10.433  -0.407   3.298
   70    HA   ARG   9           HA       ARG   9   9.655   2.203   2.490
   71    HB2  ARG   9           2HB      ARG   9  12.237   1.184   3.701
   72    HB3  ARG   9           1HB      ARG   9  11.814   2.883   3.515
   73    HG2  ARG   9           2HG      ARG   9   9.877   2.590   4.954
   74    HG3  ARG   9           1HG      ARG   9  10.238   0.874   5.104
   75    HD2  ARG   9           2HD      ARG   9  12.361   1.458   6.218
   76    HD3  ARG   9           1HD      ARG   9  11.925   3.165   6.105
   77    HE   ARG   9           HE       ARG   9   9.913   1.563   7.336
   78   HH11  ARG   9          1HH1      ARG   9  12.951   3.224   8.012
   79   HH12  ARG   9          2HH1      ARG   9  12.585   3.591   9.630
   80   HH21  ARG   9          1HH2      ARG   9   9.395   2.027   9.613
   81   HH22  ARG   9          2HH2      ARG   9  10.554   2.836  10.571
   82    H    GLY  10           H        GLY  10   9.637   2.664   0.472
   83    HA2  GLY  10           2HA      GLY  10  11.292   3.267  -1.318
   84    HA3  GLY  10           1HA      GLY  10  11.685   1.555  -1.299
   85    H    VAL  11           H        VAL  11   8.694   1.198  -0.561
   86    HA   VAL  11           HA       VAL  11   7.443   1.926  -3.047
   87    HB   VAL  11           HB       VAL  11   8.559  -0.196  -3.473
   88   HG11  VAL  11          1HG1      VAL  11   6.785  -1.391  -1.379
   89   HG12  VAL  11          2HG1      VAL  11   8.544  -1.267  -1.360
   90   HG13  VAL  11          3HG1      VAL  11   7.747  -2.322  -2.528
   91   HG21  VAL  11          3HG2      VAL  11   6.633  -1.453  -4.454
   92   HG22  VAL  11          1HG2      VAL  11   6.642   0.273  -4.824
   93   HG23  VAL  11          2HG2      VAL  11   5.555  -0.356  -3.589
   94    H    ABA  12           H        ABA  12   7.072   2.885  -0.571
   95    HA   ABA  12           HA       ABA  12   4.751   1.678   0.660
   96    HB3  ABA  12           1HB      ABA  12   4.684   3.680   2.105
   97    HB2  ABA  12           2HB      ABA  12   5.998   4.396   1.177
   98    HG1  ABA  12           3HG      ABA  12   6.820   3.462   3.250
   99    HG3  ABA  12           1HG      ABA  12   7.468   2.568   1.874
  100    HG2  ABA  12           2HG      ABA  12   6.152   1.885   2.826
  101    H    ARG  13           H        ARG  13   3.621   1.654  -1.372
  102    HA   ARG  13           HA       ARG  13   2.583   3.957  -2.642
  103    HB2  ARG  13           2HB      ARG  13   1.457   1.162  -2.494
  104    HB3  ARG  13           1HB      ARG  13   0.867   2.424  -3.557
  105    HG2  ARG  13           2HG      ARG  13   3.046   2.492  -4.668
  106    HG3  ARG  13           1HG      ARG  13   3.604   1.189  -3.611
  107    HD2  ARG  13           2HD      ARG  13   1.856  -0.268  -4.476
  108    HD3  ARG  13           1HD      ARG  13   1.269   1.034  -5.512
  109    HE   ARG  13           HE       ARG  13   3.959   0.669  -6.025
  110   HH11  ARG  13          1HH1      ARG  13   0.919  -1.117  -6.456
  111   HH12  ARG  13          2HH1      ARG  13   1.467  -1.983  -7.823
  112   HH21  ARG  13          1HH2      ARG  13   4.712  -0.560  -7.884
  113   HH22  ARG  13          2HH2      ARG  13   3.650  -1.664  -8.632
  114    H    ABA  14           H        ABA  14   1.128   5.340  -1.935
  115    HA   ABA  14           HA       ABA  14  -0.336   4.707   0.479
  116    HB3  ABA  14           1HB      ABA  14  -0.317   7.298  -1.096
  117    HB2  ABA  14           2HB      ABA  14   0.839   6.932   0.174
  118    HG1  ABA  14           3HG      ABA  14  -2.139   7.178   0.509
  119    HG3  ABA  14           1HG      ABA  14  -0.928   8.359   0.998
  120    HG2  ABA  14           2HG      ABA  14  -0.989   6.788   1.792
  121    H    VAL  15           H        VAL  15  -1.378   3.043  -0.902
  122    HA   VAL  15           HA       VAL  15  -3.449   4.035  -2.656
  123    HB   VAL  15           HB       VAL  15  -3.239   1.201  -1.697
  124   HG11  VAL  15          1HG1      VAL  15  -5.253   1.761  -2.897
  125   HG12  VAL  15          2HG1      VAL  15  -4.264   0.683  -3.883
  126   HG13  VAL  15          3HG1      VAL  15  -4.310   2.412  -4.237
  127   HG21  VAL  15          3HG2      VAL  15  -1.723   2.402  -4.015
  128   HG22  VAL  15          1HG2      VAL  15  -1.835   0.678  -3.656
  129   HG23  VAL  15          2HG2      VAL  15  -1.026   1.762  -2.525
  130    H    ABA  16           H        ABA  16  -5.271   4.665  -1.909
  131    HA   ABA  16           HA       ABA  16  -6.294   3.648   0.626
  132    HB3  ABA  16           1HB      ABA  16  -7.155   5.937   1.005
  133    HB2  ABA  16           2HB      ABA  16  -6.266   6.478  -0.409
  134    HG1  ABA  16           3HG      ABA  16  -5.080   7.035   1.639
  135    HG3  ABA  16           1HG      ABA  16  -4.164   5.899   0.647
  136    HG2  ABA  16           2HG      ABA  16  -5.027   5.324   2.068
  137    H    ARG  17           H        ARG  17  -7.271   2.259  -1.252
  138    HA   ARG  17           HA       ARG  17  -9.690   3.609  -2.124
  139    HB2  ARG  17           2HB      ARG  17  -8.244   1.330  -3.507
  140    HB3  ARG  17           1HB      ARG  17  -9.716   2.102  -4.068
  141    HG2  ARG  17           2HG      ARG  17  -8.475   4.221  -4.327
  142    HG3  ARG  17           1HG      ARG  17  -7.000   3.387  -3.847
  143    HD2  ARG  17           2HD      ARG  17  -7.063   3.535  -6.238
  144    HD3  ARG  17           1HD      ARG  17  -7.310   1.851  -5.778
  145    HE   ARG  17           HE       ARG  17  -9.804   2.984  -6.004
  146   HH11  ARG  17          1HH1      ARG  17  -7.078   2.392  -8.190
  147   HH12  ARG  17          2HH1      ARG  17  -8.052   2.272  -9.578
  148   HH21  ARG  17          1HH2      ARG  17 -11.112   2.846  -7.926
  149   HH22  ARG  17          2HH2      ARG  17 -10.386   2.570  -9.440
  150    H    ARG  18           H        ARG  18 -11.559   2.421  -1.827
  151    HA   ARG  18           HA       ARG  18 -11.397   0.566   0.354
  152    HB2  ARG  18           2HB      ARG  18 -13.839   1.476  -1.183
  153    HB3  ARG  18           1HB      ARG  18 -13.860   0.576   0.320
  154    HG2  ARG  18           2HG      ARG  18 -12.681   2.444   1.429
  155    HG3  ARG  18           1HG      ARG  18 -12.770   3.353  -0.076
  156    HD2  ARG  18           2HD      ARG  18 -15.125   2.344   1.513
  157    HD3  ARG  18           1HD      ARG  18 -14.531   4.000   1.498
  158    HE   ARG  18           HE       ARG  18 -15.053   3.289  -1.125
  159   HH11  ARG  18          1HH1      ARG  18 -16.846   3.777   1.870
  160   HH12  ARG  18          2HH1      ARG  18 -18.296   4.226   1.110
  161   HH21  ARG  18          1HH2      ARG  18 -17.080   3.913  -2.207
  162   HH22  ARG  18          2HH2      ARG  18 -18.425   4.284  -1.266
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -9.923  -1.668  -2.458
    2    HA2  GLY   1           2HA      GLY   1  -9.920  -3.883  -3.483
    3    HA3  GLY   1           1HA      GLY   1  -9.258  -3.134  -4.929
    4    H    VAL   2           H        VAL   2  -7.430  -1.447  -3.544
    5    HA   VAL   2           HA       VAL   2  -5.529  -3.408  -2.453
    6    HB   VAL   2           HB       VAL   2  -4.717  -1.109  -4.265
    7   HG11  VAL   2          1HG1      VAL   2  -2.978  -1.829  -2.755
    8   HG12  VAL   2          2HG1      VAL   2  -2.566  -2.287  -4.405
    9   HG13  VAL   2          3HG1      VAL   2  -3.169  -3.500  -3.280
   10   HG21  VAL   2          3HG2      VAL   2  -4.292  -2.784  -6.038
   11   HG22  VAL   2          1HG2      VAL   2  -6.004  -2.653  -5.623
   12   HG23  VAL   2          2HG2      VAL   2  -5.053  -4.011  -5.025
   13    H    ABA   3           H        ABA   3  -5.899  -2.695  -0.368
   14    HA   ABA   3           HA       ABA   3  -6.154   0.081   0.218
   15    HB3  ABA   3           1HB      ABA   3  -6.163  -0.626   2.605
   16    HB2  ABA   3           2HB      ABA   3  -5.817  -2.271   2.068
   17    HG1  ABA   3           3HG      ABA   3  -8.166  -1.998   2.550
   18    HG3  ABA   3           1HG      ABA   3  -7.905  -2.328   0.838
   19    HG2  ABA   3           2HG      ABA   3  -8.270  -0.687   1.371
   20    H    ARG   4           H        ARG   4  -4.791   0.830   2.298
   21    HA   ARG   4           HA       ARG   4  -2.222   1.343   1.320
   22    HB2  ARG   4           2HB      ARG   4  -1.781   2.343   3.578
   23    HB3  ARG   4           1HB      ARG   4  -3.221   2.954   2.791
   24    HG2  ARG   4           2HG      ARG   4  -4.568   1.402   4.220
   25    HG3  ARG   4           1HG      ARG   4  -3.079   1.003   5.082
   26    HD2  ARG   4           2HD      ARG   4  -4.262   3.761   4.799
   27    HD3  ARG   4           1HD      ARG   4  -4.368   2.755   6.240
   28    HE   ARG   4           HE       ARG   4  -1.832   2.866   6.155
   29   HH11  ARG   4          1HH1      ARG   4  -3.878   5.548   5.064
   30   HH12  ARG   4          2HH1      ARG   4  -2.727   6.744   5.432
   31   HH21  ARG   4          1HH2      ARG   4  -0.268   4.535   6.688
   32   HH22  ARG   4          2HH2      ARG   4  -0.654   6.168   6.379
   33    H    ABA   5           H        ABA   5  -0.459   0.249   1.386
   34    HA   ABA   5           HA       ABA   5  -0.554  -2.406   2.577
   35    HB3  ABA   5           1HB      ABA   5   1.387  -2.863   1.124
   36    HB2  ABA   5           2HB      ABA   5   1.375  -1.185   0.601
   37    HG1  ABA   5           3HG      ABA   5  -0.863  -1.509  -0.343
   38    HG3  ABA   5           1HG      ABA   5  -0.801  -3.204   0.126
   39    HG2  ABA   5           2HG      ABA   5   0.335  -2.576  -1.069
   40    H    VAL   6           H        VAL   6   1.686  -3.234   3.273
   41    HA   VAL   6           HA       VAL   6   2.614  -1.705   5.470
   42    HB   VAL   6           HB       VAL   6   3.838  -4.147   4.105
   43   HG11  VAL   6          1HG1      VAL   6   4.441  -2.985   6.828
   44   HG12  VAL   6          2HG1      VAL   6   5.518  -2.969   5.430
   45   HG13  VAL   6          3HG1      VAL   6   5.081  -4.500   6.188
   46   HG21  VAL   6          3HG2      VAL   6   1.599  -4.570   5.003
   47   HG22  VAL   6          1HG2      VAL   6   2.109  -3.954   6.571
   48   HG23  VAL   6          2HG2      VAL   6   2.825  -5.431   5.925
   49    H    ABA   7           H        ABA   7   4.532  -0.568   5.650
   50    HA   ABA   7           HA       ABA   7   5.258   0.840   3.312
   51    HB3  ABA   7           1HB      ABA   7   6.780   2.110   4.814
   52    HB2  ABA   7           2HB      ABA   7   6.319   1.025   6.122
   53    HG1  ABA   7           3HG      ABA   7   5.080   3.112   6.222
   54    HG3  ABA   7           1HG      ABA   7   4.006   1.745   5.921
   55    HG2  ABA   7           2HG      ABA   7   4.453   2.822   4.597
   56    H    ARG   8           H        ARG   8   6.057  -1.131   2.180
   57    HA   ARG   8           HA       ARG   8   8.823  -1.712   2.803
   58    HB2  ARG   8           2HB      ARG   8   6.961  -2.788   0.683
   59    HB3  ARG   8           1HB      ARG   8   8.662  -3.224   0.786
   60    HG2  ARG   8           2HG      ARG   8   8.293  -4.172   2.993
   61    HG3  ARG   8           1HG      ARG   8   6.586  -3.718   2.900
   62    HD2  ARG   8           2HD      ARG   8   6.319  -5.172   0.940
   63    HD3  ARG   8           1HD      ARG   8   8.027  -5.579   1.032
   64    HE   ARG   8           HE       ARG   8   7.633  -6.697   3.075
   65   HH11  ARG   8          1HH1      ARG   8   4.627  -5.720   1.473
   66   HH12  ARG   8          2HH1      ARG   8   3.710  -6.993   2.122
   67   HH21  ARG   8          1HH2      ARG   8   6.413  -8.400   3.941
   68   HH22  ARG   8          2HH2      ARG   8   4.743  -8.589   3.558
   69    H    ARG   9           H        ARG   9  10.366  -0.764   1.861
   70    HA   ARG   9           HA       ARG   9   9.987   1.737   0.705
   71    HB2  ARG   9           2HB      ARG   9  12.473   0.032   0.798
   72    HB3  ARG   9           1HB      ARG   9  12.447   1.742   0.407
   73    HG2  ARG   9           2HG      ARG   9  11.603   2.264   2.634
   74    HG3  ARG   9           1HG      ARG   9  11.559   0.546   3.028
   75    HD2  ARG   9           2HD      ARG   9  13.980   0.418   2.712
   76    HD3  ARG   9           1HD      ARG   9  14.018   2.141   2.327
   77    HE   ARG   9           HE       ARG   9  12.800   1.854   4.810
   78   HH11  ARG   9          1HH1      ARG   9  16.008   1.305   3.399
   79   HH12  ARG   9          2HH1      ARG   9  16.837   1.596   4.862
   80   HH21  ARG   9          1HH2      ARG   9  13.989   2.227   6.835
   81   HH22  ARG   9          2HH2      ARG   9  15.690   2.114   6.801
   82    H    GLY  10           H        GLY  10   8.882   1.803  -1.178
   83    HA2  GLY  10           2HA      GLY  10   9.568   2.114  -3.539
   84    HA3  GLY  10           1HA      GLY  10  10.146   0.455  -3.466
   85    H    VAL  11           H        VAL  11   7.598  -0.120  -1.756
   86    HA   VAL  11           HA       VAL  11   5.707  -0.035  -3.977
   87    HB   VAL  11           HB       VAL  11   4.993  -2.387  -3.509
   88   HG11  VAL  11          1HG1      VAL  11   6.859  -3.497  -4.670
   89   HG12  VAL  11          2HG1      VAL  11   7.877  -2.093  -4.347
   90   HG13  VAL  11          3HG1      VAL  11   6.470  -1.935  -5.396
   91   HG21  VAL  11          3HG2      VAL  11   7.503  -2.486  -1.830
   92   HG22  VAL  11          1HG2      VAL  11   6.525  -3.884  -2.283
   93   HG23  VAL  11          2HG2      VAL  11   5.844  -2.626  -1.250
   94    H    ABA  12           H        ABA  12   5.845   1.510  -1.678
   95    HA   ABA  12           HA       ABA  12   3.445   0.561  -0.316
   96    HB3  ABA  12           1HB      ABA  12   5.262   0.434   1.242
   97    HB2  ABA  12           2HB      ABA  12   4.156   1.714   1.735
   98    HG1  ABA  12           3HG      ABA  12   6.453   2.382   2.075
   99    HG3  ABA  12           1HG      ABA  12   5.688   3.387   0.845
  100    HG2  ABA  12           2HG      ABA  12   6.796   2.104   0.368
  101    H    ARG  13           H        ARG  13   1.807   1.918  -0.057
  102    HA   ARG  13           HA       ARG  13   2.164   4.743  -0.561
  103    HB2  ARG  13           2HB      ARG  13   1.417   3.619  -2.695
  104    HB3  ARG  13           1HB      ARG  13  -0.021   3.084  -1.841
  105    HG2  ARG  13           2HG      ARG  13  -0.715   5.383  -1.502
  106    HG3  ARG  13           1HG      ARG  13   0.769   5.960  -2.264
  107    HD2  ARG  13           2HD      ARG  13  -1.403   4.330  -3.563
  108    HD3  ARG  13           1HD      ARG  13  -1.056   6.037  -3.856
  109    HE   ARG  13           HE       ARG  13   1.285   4.752  -4.372
  110   HH11  ARG  13          1HH1      ARG  13  -1.975   4.725  -5.741
  111   HH12  ARG  13          2HH1      ARG  13  -1.511   4.049  -7.225
  112   HH21  ARG  13          1HH2      ARG  13   1.926   3.790  -6.415
  113   HH22  ARG  13          2HH2      ARG  13   0.766   3.513  -7.612
  114    H    ABA  14           H        ABA  14   0.975   5.874   0.886
  115    HA   ABA  14           HA       ABA  14  -0.350   4.253   2.889
  116    HB3  ABA  14           1HB      ABA  14  -0.144   6.244   4.305
  117    HB2  ABA  14           2HB      ABA  14   0.574   7.132   2.963
  118    HG1  ABA  14           3HG      ABA  14   2.457   5.571   2.945
  119    HG3  ABA  14           1HG      ABA  14   1.741   4.698   4.301
  120    HG2  ABA  14           2HG      ABA  14   2.279   6.365   4.511
  121    H    VAL  15           H        VAL  15  -1.902   4.323   0.765
  122    HA   VAL  15           HA       VAL  15  -4.146   5.992   1.621
  123    HB   VAL  15           HB       VAL  15  -3.449   5.569  -1.290
  124   HG11  VAL  15          1HG1      VAL  15  -5.818   5.763  -0.917
  125   HG12  VAL  15          2HG1      VAL  15  -5.235   7.205  -1.753
  126   HG13  VAL  15          3HG1      VAL  15  -5.588   7.269  -0.029
  127   HG21  VAL  15          3HG2      VAL  15  -1.839   7.152  -0.363
  128   HG22  VAL  15          1HG2      VAL  15  -3.153   8.128   0.291
  129   HG23  VAL  15          2HG2      VAL  15  -2.947   7.983  -1.454
  130    H    ABA  16           H        ABA  16  -5.863   4.725   1.810
  131    HA   ABA  16           HA       ABA  16  -5.702   2.042   0.854
  132    HB3  ABA  16           1HB      ABA  16  -6.667   2.281   3.052
  133    HB2  ABA  16           2HB      ABA  16  -7.932   1.731   1.969
  134    HG1  ABA  16           3HG      ABA  16  -7.588   4.554   2.920
  135    HG3  ABA  16           1HG      ABA  16  -8.777   3.389   3.512
  136    HG2  ABA  16           2HG      ABA  16  -8.846   3.962   1.844
  137    H    ARG  17           H        ARG  17  -6.126   1.559  -1.121
  138    HA   ARG  17           HA       ARG  17  -7.820   3.257  -2.738
  139    HB2  ARG  17           2HB      ARG  17  -5.811   1.099  -3.342
  140    HB3  ARG  17           1HB      ARG  17  -6.706   1.989  -4.571
  141    HG2  ARG  17           2HG      ARG  17  -5.510   3.931  -4.158
  142    HG3  ARG  17           1HG      ARG  17  -5.031   3.364  -2.548
  143    HD2  ARG  17           2HD      ARG  17  -4.102   2.088  -5.117
  144    HD3  ARG  17           1HD      ARG  17  -3.178   3.309  -4.229
  145    HE   ARG  17           HE       ARG  17  -4.035   1.041  -2.678
  146   HH11  ARG  17          1HH1      ARG  17  -1.453   2.193  -4.790
  147   HH12  ARG  17          2HH1      ARG  17  -0.218   1.336  -4.010
  148   HH21  ARG  17          1HH2      ARG  17  -2.334  -0.140  -1.550
  149   HH22  ARG  17          2HH2      ARG  17  -0.733  -0.031  -2.123
  150    H    ARG  18           H        ARG  18  -9.342   2.220  -3.992
  151    HA   ARG  18           HA       ARG  18 -10.893   0.234  -2.692
  152    HB2  ARG  18           2HB      ARG  18 -11.094   1.256  -5.528
  153    HB3  ARG  18           1HB      ARG  18 -12.307   0.285  -4.711
  154    HG2  ARG  18           2HG      ARG  18 -12.678   2.079  -3.114
  155    HG3  ARG  18           1HG      ARG  18 -11.438   3.051  -3.907
  156    HD2  ARG  18           2HD      ARG  18 -13.630   3.740  -4.673
  157    HD3  ARG  18           1HD      ARG  18 -12.752   2.968  -5.997
  158    HE   ARG  18           HE       ARG  18 -14.525   1.279  -4.453
  159   HH11  ARG  18          1HH1      ARG  18 -14.122   3.208  -7.397
  160   HH12  ARG  18          2HH1      ARG  18 -15.425   2.470  -8.219
  161   HH21  ARG  18          1HH2      ARG  18 -16.346   0.285  -5.587
  162   HH22  ARG  18          2HH2      ARG  18 -16.728   0.775  -7.160
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1 -10.705  -1.126  -0.711
    2    HA2  GLY   1           2HA      GLY   1 -12.196  -3.305  -1.469
    3    HA3  GLY   1           1HA      GLY   1 -11.783  -2.459  -2.959
    4    H    VAL   2           H        VAL   2  -9.348  -1.729  -2.994
    5    HA   VAL   2           HA       VAL   2  -7.654  -3.839  -1.940
    6    HB   VAL   2           HB       VAL   2  -7.735  -3.000  -4.867
    7   HG11  VAL   2          1HG1      VAL   2  -5.932  -4.982  -3.489
    8   HG12  VAL   2          2HG1      VAL   2  -5.454  -3.393  -4.087
    9   HG13  VAL   2          3HG1      VAL   2  -5.962  -4.647  -5.223
   10   HG21  VAL   2          3HG2      VAL   2  -9.530  -4.562  -4.288
   11   HG22  VAL   2          1HG2      VAL   2  -8.346  -5.683  -3.624
   12   HG23  VAL   2          2HG2      VAL   2  -8.345  -5.315  -5.352
   13    H    ABA   3           H        ABA   3  -6.139  -2.779  -0.917
   14    HA   ABA   3           HA       ABA   3  -4.980  -0.412  -2.162
   15    HB3  ABA   3           1HB      ABA   3  -6.461   0.465  -0.467
   16    HB2  ABA   3           2HB      ABA   3  -4.785   0.684   0.033
   17    HG1  ABA   3           3HG      ABA   3  -4.964  -1.207   1.536
   18    HG3  ABA   3           1HG      ABA   3  -6.639  -1.440   1.041
   19    HG2  ABA   3           2HG      ABA   3  -6.174   0.026   1.903
   20    H    ARG   4           H        ARG   4  -2.828  -0.193  -1.948
   21    HA   ARG   4           HA       ARG   4  -1.460  -2.449  -0.708
   22    HB2  ARG   4           2HB      ARG   4  -0.354  -0.333  -2.572
   23    HB3  ARG   4           1HB      ARG   4   0.538  -1.715  -1.949
   24    HG2  ARG   4           2HG      ARG   4  -1.002  -3.223  -3.093
   25    HG3  ARG   4           1HG      ARG   4  -1.890  -1.843  -3.721
   26    HD2  ARG   4           2HD      ARG   4   0.207  -1.100  -4.853
   27    HD3  ARG   4           1HD      ARG   4   0.958  -2.610  -4.333
   28    HE   ARG   4           HE       ARG   4  -1.471  -3.151  -5.596
   29   HH11  ARG   4          1HH1      ARG   4   1.866  -2.284  -6.425
   30   HH12  ARG   4          2HH1      ARG   4   1.728  -2.792  -8.039
   31   HH21  ARG   4          1HH2      ARG   4  -1.658  -3.821  -7.795
   32   HH22  ARG   4          2HH2      ARG   4  -0.345  -3.675  -8.857
   33    H    ABA   5           H        ABA   5  -1.470  -1.980   1.386
   34    HA   ABA   5           HA       ABA   5  -0.288   0.547   2.259
   35    HB3  ABA   5           1HB      ABA   5  -2.465   0.190   3.265
   36    HB2  ABA   5           2HB      ABA   5  -1.251  -0.042   4.516
   37    HG1  ABA   5           3HG      ABA   5  -1.474  -2.467   4.295
   38    HG3  ABA   5           1HG      ABA   5  -2.701  -2.239   3.049
   39    HG2  ABA   5           2HG      ABA   5  -3.016  -1.704   4.697
   40    H    VAL   6           H        VAL   6   1.534  -0.836   1.248
   41    HA   VAL   6           HA       VAL   6   2.686  -2.683   3.163
   42    HB   VAL   6           HB       VAL   6   4.273  -3.290   1.380
   43   HG11  VAL   6          1HG1      VAL   6   2.691  -4.329  -0.160
   44   HG12  VAL   6          2HG1      VAL   6   1.420  -3.257   0.418
   45   HG13  VAL   6          3HG1      VAL   6   2.121  -4.452   1.508
   46   HG21  VAL   6          3HG2      VAL   6   4.013  -2.398  -0.901
   47   HG22  VAL   6          1HG2      VAL   6   4.458  -1.120   0.235
   48   HG23  VAL   6          2HG2      VAL   6   2.791  -1.270  -0.317
   49    H    ABA   7           H        ABA   7   4.480  -2.230   4.365
   50    HA   ABA   7           HA       ABA   7   5.610   0.428   4.011
   51    HB3  ABA   7           1HB      ABA   7   6.507   0.083   6.318
   52    HB2  ABA   7           2HB      ABA   7   5.654  -1.450   6.388
   53    HG1  ABA   7           3HG      ABA   7   3.527  -0.274   6.105
   54    HG3  ABA   7           1HG      ABA   7   4.391   1.260   6.091
   55    HG2  ABA   7           2HG      ABA   7   4.393   0.261   7.546
   56    H    ARG   8           H        ARG   8   6.666  -0.617   2.112
   57    HA   ARG   8           HA       ARG   8   8.930  -2.256   2.856
   58    HB2  ARG   8           2HB      ARG   8   7.791  -1.588   0.133
   59    HB3  ARG   8           1HB      ARG   8   9.149  -2.658   0.437
   60    HG2  ARG   8           2HG      ARG   8   6.321  -3.105   1.364
   61    HG3  ARG   8           1HG      ARG   8   7.086  -3.895  -0.016
   62    HD2  ARG   8           2HD      ARG   8   7.970  -4.104   2.863
   63    HD3  ARG   8           1HD      ARG   8   7.072  -5.334   1.984
   64    HE   ARG   8           HE       ARG   8   9.378  -4.736   0.545
   65   HH11  ARG   8          1HH1      ARG   8   8.600  -6.152   3.684
   66   HH12  ARG   8          2HH1      ARG   8   9.880  -7.266   3.658
   67   HH21  ARG   8          1HH2      ARG   8  11.157  -6.212   0.515
   68   HH22  ARG   8          2HH2      ARG   8  11.386  -7.293   1.804
   69    H    ARG   9           H        ARG   9  10.911  -1.542   2.507
   70    HA   ARG   9           HA       ARG   9  11.239   1.300   2.397
   71    HB2  ARG   9           2HB      ARG   9  13.273  -0.914   2.704
   72    HB3  ARG   9           1HB      ARG   9  13.634   0.809   2.840
   73    HG2  ARG   9           2HG      ARG   9  12.108   1.005   4.713
   74    HG3  ARG   9           1HG      ARG   9  11.693  -0.701   4.555
   75    HD2  ARG   9           2HD      ARG   9  13.252  -0.317   6.368
   76    HD3  ARG   9           1HD      ARG   9  13.971  -1.311   5.107
   77    HE   ARG   9           HE       ARG   9  15.288   0.509   4.452
   78   HH11  ARG   9          1HH1      ARG   9  13.372   1.271   7.340
   79   HH12  ARG   9          2HH1      ARG   9  14.479   2.377   7.983
   80   HH21  ARG   9          1HH2      ARG   9  16.822   2.063   5.321
   81   HH22  ARG   9          2HH2      ARG   9  16.502   2.818   6.819
   82    H    GLY  10           H        GLY  10  10.499   1.671   0.435
   83    HA2  GLY  10           2HA      GLY  10  12.132   2.387  -1.565
   84    HA3  GLY  10           1HA      GLY  10  11.774   0.702  -1.944
   85    H    VAL  11           H        VAL  11   9.293   0.332  -1.194
   86    HA   VAL  11           HA       VAL  11   7.678   2.313  -2.611
   87    HB   VAL  11           HB       VAL  11   7.367  -0.709  -2.800
   88   HG11  VAL  11          1HG1      VAL  11   5.236   0.466  -2.922
   89   HG12  VAL  11          2HG1      VAL  11   5.654  -0.231  -4.485
   90   HG13  VAL  11          3HG1      VAL  11   5.860   1.500  -4.209
   91   HG21  VAL  11          3HG2      VAL  11   8.034  -0.508  -5.132
   92   HG22  VAL  11          1HG2      VAL  11   9.312   0.076  -4.075
   93   HG23  VAL  11          2HG2      VAL  11   8.282   1.225  -4.937
   94    H    ABA  12           H        ABA  12   6.586   3.150  -0.975
   95    HA   ABA  12           HA       ABA  12   5.777   1.436   1.222
   96    HB3  ABA  12           1HB      ABA  12   5.261   3.560   2.402
   97    HB2  ABA  12           2HB      ABA  12   5.791   4.453   0.982
   98    HG1  ABA  12           3HG      ABA  12   7.516   4.402   2.687
   99    HG3  ABA  12           1HG      ABA  12   8.032   3.538   1.237
  100    HG2  ABA  12           2HG      ABA  12   7.505   2.637   2.656
  101    H    ARG  13           H        ARG  13   3.620   2.848   2.136
  102    HA   ARG  13           HA       ARG  13   1.524   1.716   0.666
  103    HB2  ARG  13           2HB      ARG  13   0.024   2.980   2.170
  104    HB3  ARG  13           1HB      ARG  13   1.260   2.067   3.022
  105    HG2  ARG  13           2HG      ARG  13   2.449   4.005   3.600
  106    HG3  ARG  13           1HG      ARG  13   1.590   4.982   2.406
  107    HD2  ARG  13           2HD      ARG  13   0.270   3.688   4.785
  108    HD3  ARG  13           1HD      ARG  13   0.863   5.355   4.776
  109    HE   ARG  13           HE       ARG  13  -0.699   5.405   2.648
  110   HH11  ARG  13          1HH1      ARG  13  -1.452   3.883   5.771
  111   HH12  ARG  13          2HH1      ARG  13  -3.100   4.307   5.715
  112   HH21  ARG  13          1HH2      ARG  13  -2.922   5.947   2.582
  113   HH22  ARG  13          2HH2      ARG  13  -3.976   5.527   3.838
  114    H    ABA  14           H        ABA  14  -0.244   2.744  -0.284
  115    HA   ABA  14           HA       ABA  14   0.228   5.422  -1.343
  116    HB3  ABA  14           1HB      ABA  14   0.572   3.865  -3.199
  117    HB2  ABA  14           2HB      ABA  14  -0.965   4.688  -3.425
  118    HG1  ABA  14           3HG      ABA  14  -2.167   2.742  -2.614
  119    HG3  ABA  14           1HG      ABA  14  -0.636   1.906  -2.346
  120    HG2  ABA  14           2HG      ABA  14  -1.128   2.329  -3.983
  121    H    VAL  15           H        VAL  15  -2.221   5.877  -2.440
  122    HA   VAL  15           HA       VAL  15  -3.874   6.333  -0.244
  123    HB   VAL  15           HB       VAL  15  -5.694   6.807  -1.879
  124   HG11  VAL  15          1HG1      VAL  15  -4.097   8.541  -1.326
  125   HG12  VAL  15          2HG1      VAL  15  -4.576   8.667  -3.020
  126   HG13  VAL  15          3HG1      VAL  15  -3.012   7.975  -2.596
  127   HG21  VAL  15          3HG2      VAL  15  -5.195   6.689  -4.303
  128   HG22  VAL  15          1HG2      VAL  15  -5.213   5.094  -3.548
  129   HG23  VAL  15          2HG2      VAL  15  -3.680   5.871  -3.928
  130    H    ABA  16           H        ABA  16  -5.551   5.269   0.648
  131    HA   ABA  16           HA       ABA  16  -5.768   2.456  -0.008
  132    HB3  ABA  16           1HB      ABA  16  -7.038   2.312   2.131
  133    HB2  ABA  16           2HB      ABA  16  -6.807   4.039   2.350
  134    HG1  ABA  16           3HG      ABA  16  -4.391   3.721   2.428
  135    HG3  ABA  16           1HG      ABA  16  -4.616   1.985   2.219
  136    HG2  ABA  16           2HG      ABA  16  -5.212   2.786   3.675
  137    H    ARG  17           H        ARG  17  -7.340   1.814  -1.378
  138    HA   ARG  17           HA       ARG  17  -9.735   3.413  -1.510
  139    HB2  ARG  17           2HB      ARG  17  -8.518   1.376  -3.369
  140    HB3  ARG  17           1HB      ARG  17 -10.143   2.030  -3.592
  141    HG2  ARG  17           2HG      ARG  17  -9.241   4.258  -3.799
  142    HG3  ARG  17           1HG      ARG  17  -7.620   3.658  -3.475
  143    HD2  ARG  17           2HD      ARG  17  -7.689   2.342  -5.516
  144    HD3  ARG  17           1HD      ARG  17  -9.337   2.891  -5.834
  145    HE   ARG  17           HE       ARG  17  -8.055   5.194  -5.616
  146   HH11  ARG  17          1HH1      ARG  17  -7.158   2.313  -7.437
  147   HH12  ARG  17          2HH1      ARG  17  -6.355   3.159  -8.675
  148   HH21  ARG  17          1HH2      ARG  17  -6.981   6.368  -7.303
  149   HH22  ARG  17          2HH2      ARG  17  -6.245   5.535  -8.600
  150    H    ARG  18           H        ARG  18 -11.678   2.317  -1.600
  151    HA   ARG  18           HA       ARG  18 -11.953   0.430   0.546
  152    HB2  ARG  18           2HB      ARG  18 -13.999   1.774  -1.237
  153    HB3  ARG  18           1HB      ARG  18 -14.378   0.789   0.174
  154    HG2  ARG  18           2HG      ARG  18 -13.427   2.364   1.654
  155    HG3  ARG  18           1HG      ARG  18 -12.665   3.249   0.336
  156    HD2  ARG  18           2HD      ARG  18 -14.614   4.420   1.219
  157    HD3  ARG  18           1HD      ARG  18 -14.836   3.966  -0.465
  158    HE   ARG  18           HE       ARG  18 -16.016   1.937   0.822
  159   HH11  ARG  18          1HH1      ARG  18 -16.323   5.432   1.308
  160   HH12  ARG  18          2HH1      ARG  18 -17.976   5.381   1.673
  161   HH21  ARG  18          1HH2      ARG  18 -18.316   1.867   1.361
  162   HH22  ARG  18          2HH2      ARG  18 -19.123   3.324   1.726
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1 -11.053  -1.538  -0.471
    2    HA2  GLY   1           2HA      GLY   1 -11.911  -3.306  -1.995
    3    HA3  GLY   1           1HA      GLY   1 -12.204  -1.988  -3.130
    4    H    VAL   2           H        VAL   2  -9.904  -0.496  -2.614
    5    HA   VAL   2           HA       VAL   2  -7.802  -2.321  -3.417
    6    HB   VAL   2           HB       VAL   2  -6.907  -0.574  -5.034
    7   HG11  VAL   2          1HG1      VAL   2  -9.608  -1.746  -5.663
    8   HG12  VAL   2          2HG1      VAL   2  -8.051  -2.552  -5.840
    9   HG13  VAL   2          3HG1      VAL   2  -8.443  -1.162  -6.852
   10   HG21  VAL   2          3HG2      VAL   2  -9.660   0.630  -4.671
   11   HG22  VAL   2          1HG2      VAL   2  -8.528   1.055  -5.961
   12   HG23  VAL   2          2HG2      VAL   2  -8.107   1.387  -4.288
   13    H    ABA   3           H        ABA   3  -6.659  -2.374  -1.699
   14    HA   ABA   3           HA       ABA   3  -5.621   0.148  -0.614
   15    HB3  ABA   3           1HB      ABA   3  -5.231  -1.113   1.496
   16    HB2  ABA   3           2HB      ABA   3  -6.025  -2.509   0.787
   17    HG1  ABA   3           3HG      ABA   3  -7.512  -1.323   2.280
   18    HG3  ABA   3           1HG      ABA   3  -8.103  -1.253   0.619
   19    HG2  ABA   3           2HG      ABA   3  -7.311   0.151   1.331
   20    H    ARG   4           H        ARG   4  -3.488   0.318  -0.480
   21    HA   ARG   4           HA       ARG   4  -1.897  -1.725  -1.794
   22    HB2  ARG   4           2HB      ARG   4  -1.234   1.069  -0.876
   23    HB3  ARG   4           1HB      ARG   4  -0.047  -0.022  -1.563
   24    HG2  ARG   4           2HG      ARG   4  -2.536   0.925  -2.976
   25    HG3  ARG   4           1HG      ARG   4  -0.919   1.604  -3.201
   26    HD2  ARG   4           2HD      ARG   4  -0.138  -0.631  -3.910
   27    HD3  ARG   4           1HD      ARG   4  -1.791  -1.223  -3.781
   28    HE   ARG   4           HE       ARG   4  -1.802   0.979  -5.459
   29   HH11  ARG   4          1HH1      ARG   4  -0.522  -2.305  -5.379
   30   HH12  ARG   4          2HH1      ARG   4  -0.464  -2.513  -7.061
   31   HH21  ARG   4          1HH2      ARG   4  -1.736   0.707  -7.832
   32   HH22  ARG   4          2HH2      ARG   4  -1.187  -0.752  -8.491
   33    H    ABA   5           H        ABA   5   0.195  -2.326  -0.838
   34    HA   ABA   5           HA       ABA   5  -0.395  -3.442   1.715
   35    HB3  ABA   5           1HB      ABA   5   1.765  -4.668   1.399
   36    HB2  ABA   5           2HB      ABA   5   2.002  -3.762  -0.090
   37    HG1  ABA   5           3HG      ABA   5   1.117  -5.983  -0.526
   38    HG3  ABA   5           1HG      ABA   5  -0.030  -4.735  -1.016
   39    HG2  ABA   5           2HG      ABA   5  -0.282  -5.629   0.484
   40    H    VAL   6           H        VAL   6   2.120  -3.751   2.775
   41    HA   VAL   6           HA       VAL   6   2.270  -1.707   4.627
   42    HB   VAL   6           HB       VAL   6   4.438  -3.675   3.864
   43   HG11  VAL   6          1HG1      VAL   6   5.290  -1.911   5.291
   44   HG12  VAL   6          2HG1      VAL   6   5.216  -3.438   6.166
   45   HG13  VAL   6          3HG1      VAL   6   3.991  -2.198   6.447
   46   HG21  VAL   6          3HG2      VAL   6   2.181  -3.942   5.836
   47   HG22  VAL   6          1HG2      VAL   6   3.505  -5.094   5.642
   48   HG23  VAL   6          2HG2      VAL   6   2.370  -4.814   4.322
   49    H    ABA   7           H        ABA   7   3.503   0.063   4.831
   50    HA   ABA   7           HA       ABA   7   4.801   1.191   2.569
   51    HB3  ABA   7           1HB      ABA   7   4.614   2.111   5.456
   52    HB2  ABA   7           2HB      ABA   7   3.491   2.546   4.180
   53    HG1  ABA   7           3HG      ABA   7   5.249   3.739   3.005
   54    HG3  ABA   7           1HG      ABA   7   6.404   3.275   4.254
   55    HG2  ABA   7           2HG      ABA   7   5.057   4.337   4.652
   56    H    ARG   8           H        ARG   8   6.589  -0.022   2.084
   57    HA   ARG   8           HA       ARG   8   8.437  -0.813   4.144
   58    HB2  ARG   8           2HB      ARG   8   7.958  -1.514   1.257
   59    HB3  ARG   8           1HB      ARG   8   9.381  -2.082   2.144
   60    HG2  ARG   8           2HG      ARG   8   8.121  -3.495   3.434
   61    HG3  ARG   8           1HG      ARG   8   6.668  -2.502   3.225
   62    HD2  ARG   8           2HD      ARG   8   7.919  -4.070   0.987
   63    HD3  ARG   8           1HD      ARG   8   6.654  -4.731   2.030
   64    HE   ARG   8           HE       ARG   8   5.773  -2.279   1.130
   65   HH11  ARG   8          1HH1      ARG   8   6.609  -5.369  -0.381
   66   HH12  ARG   8          2HH1      ARG   8   5.482  -5.222  -1.635
   67   HH21  ARG   8          1HH2      ARG   8   4.229  -2.059  -0.617
   68   HH22  ARG   8          2HH2      ARG   8   4.096  -3.312  -1.760
   69    H    ARG   9           H        ARG   9  10.716  -0.532   3.442
   70    HA   ARG   9           HA       ARG   9  11.059   2.305   2.939
   71    HB2  ARG   9           2HB      ARG   9  13.163   0.252   3.657
   72    HB3  ARG   9           1HB      ARG   9  13.362   1.996   3.676
   73    HG2  ARG   9           2HG      ARG   9  11.543   0.397   5.470
   74    HG3  ARG   9           1HG      ARG   9  13.079   1.129   5.929
   75    HD2  ARG   9           2HD      ARG   9  12.136   3.352   5.488
   76    HD3  ARG   9           1HD      ARG   9  10.609   2.604   5.015
   77    HE   ARG   9           HE       ARG   9  11.264   1.699   7.561
   78   HH11  ARG   9          1HH1      ARG   9  10.200   4.682   5.989
   79   HH12  ARG   9          2HH1      ARG   9   9.533   5.373   7.388
   80   HH21  ARG   9          1HH2      ARG   9  10.287   2.610   9.482
   81   HH22  ARG   9          2HH2      ARG   9   9.546   4.140   9.417
   82    H    GLY  10           H        GLY  10  10.353   2.066   0.798
   83    HA2  GLY  10           2HA      GLY  10  11.918   2.709  -1.172
   84    HA3  GLY  10           1HA      GLY  10  12.312   0.993  -1.084
   85    H    VAL  11           H        VAL  11  10.017  -0.233  -0.627
   86    HA   VAL  11           HA       VAL  11   8.506   0.383  -3.055
   87    HB   VAL  11           HB       VAL  11   8.510  -2.193  -1.443
   88   HG11  VAL  11          1HG1      VAL  11   7.416  -1.579  -4.188
   89   HG12  VAL  11          2HG1      VAL  11   6.472  -1.871  -2.726
   90   HG13  VAL  11          3HG1      VAL  11   7.435  -3.171  -3.429
   91   HG21  VAL  11          3HG2      VAL  11  10.715  -1.831  -2.441
   92   HG22  VAL  11          1HG2      VAL  11   9.965  -1.585  -4.016
   93   HG23  VAL  11          2HG2      VAL  11   9.877  -3.162  -3.233
   94    H    ABA  12           H        ABA  12   7.193   1.964  -2.175
   95    HA   ABA  12           HA       ABA  12   5.094   0.849  -0.596
   96    HB3  ABA  12           1HB      ABA  12   6.493   1.637   1.168
   97    HB2  ABA  12           2HB      ABA  12   5.072   2.660   1.057
   98    HG1  ABA  12           3HG      ABA  12   6.365   4.389  -0.050
   99    HG3  ABA  12           1HG      ABA  12   7.808   3.367   0.032
  100    HG2  ABA  12           2HG      ABA  12   7.053   3.954   1.519
  101    H    ARG  13           H        ARG  13   3.254   1.469  -1.155
  102    HA   ARG  13           HA       ARG  13   2.754   4.134  -2.197
  103    HB2  ARG  13           2HB      ARG  13   1.653   1.495  -3.232
  104    HB3  ARG  13           1HB      ARG  13   0.906   3.038  -3.569
  105    HG2  ARG  13           2HG      ARG  13   3.692   2.247  -4.428
  106    HG3  ARG  13           1HG      ARG  13   2.257   2.137  -5.443
  107    HD2  ARG  13           2HD      ARG  13   3.375   4.155  -6.052
  108    HD3  ARG  13           1HD      ARG  13   1.965   4.627  -5.106
  109    HE   ARG  13           HE       ARG  13   4.334   4.332  -3.529
  110   HH11  ARG  13          1HH1      ARG  13   2.520   6.661  -5.514
  111   HH12  ARG  13          2HH1      ARG  13   3.311   8.014  -4.890
  112   HH21  ARG  13          1HH2      ARG  13   5.402   6.196  -2.666
  113   HH22  ARG  13          2HH2      ARG  13   4.964   7.741  -3.198
  114    H    ABA  14           H        ABA  14   0.947   4.967  -1.121
  115    HA   ABA  14           HA       ABA  14  -0.239   3.073   0.755
  116    HB3  ABA  14           1HB      ABA  14   0.333   5.985   1.339
  117    HB2  ABA  14           2HB      ABA  14   1.402   4.671   1.813
  118    HG1  ABA  14           3HG      ABA  14  -0.331   3.733   3.225
  119    HG3  ABA  14           1HG      ABA  14  -1.446   5.001   2.724
  120    HG2  ABA  14           2HG      ABA  14  -0.008   5.407   3.662
  121    H    VAL  15           H        VAL  15  -1.733   2.894  -1.061
  122    HA   VAL  15           HA       VAL  15  -3.662   5.083  -1.062
  123    HB   VAL  15           HB       VAL  15  -3.604   2.705  -2.909
  124   HG11  VAL  15          1HG1      VAL  15  -5.793   3.671  -2.705
  125   HG12  VAL  15          2HG1      VAL  15  -5.154   4.003  -4.311
  126   HG13  VAL  15          3HG1      VAL  15  -5.165   5.274  -3.082
  127   HG21  VAL  15          3HG2      VAL  15  -2.730   4.218  -4.661
  128   HG22  VAL  15          1HG2      VAL  15  -1.605   4.035  -3.317
  129   HG23  VAL  15          2HG2      VAL  15  -2.582   5.497  -3.458
  130    H    ABA  16           H        ABA  16  -5.441   4.753   0.048
  131    HA   ABA  16           HA       ABA  16  -6.185   2.049   0.744
  132    HB3  ABA  16           1HB      ABA  16  -5.164   2.820   2.737
  133    HB2  ABA  16           2HB      ABA  16  -6.904   2.994   2.962
  134    HG1  ABA  16           3HG      ABA  16  -5.051   5.249   2.288
  135    HG3  ABA  16           1HG      ABA  16  -5.714   4.895   3.883
  136    HG2  ABA  16           2HG      ABA  16  -6.791   5.361   2.563
  137    H    ARG  17           H        ARG  17  -7.776   1.978  -0.787
  138    HA   ARG  17           HA       ARG  17 -10.072   3.706  -0.293
  139    HB2  ARG  17           2HB      ARG  17  -9.260   2.255  -2.819
  140    HB3  ARG  17           1HB      ARG  17 -10.716   3.206  -2.625
  141    HG2  ARG  17           2HG      ARG  17  -9.345   5.220  -2.332
  142    HG3  ARG  17           1HG      ARG  17  -7.893   4.245  -2.573
  143    HD2  ARG  17           2HD      ARG  17  -8.764   3.570  -4.789
  144    HD3  ARG  17           1HD      ARG  17 -10.135   4.647  -4.542
  145    HE   ARG  17           HE       ARG  17  -7.984   6.256  -4.217
  146   HH11  ARG  17          1HH1      ARG  17  -9.193   4.166  -6.790
  147   HH12  ARG  17          2HH1      ARG  17  -8.394   4.995  -8.039
  148   HH21  ARG  17          1HH2      ARG  17  -6.842   7.396  -5.970
  149   HH22  ARG  17          2HH2      ARG  17  -7.027   6.855  -7.572
  150    H    ARG  18           H        ARG  18 -12.071   2.530  -0.424
  151    HA   ARG  18           HA       ARG  18 -11.874  -0.070   0.730
  152    HB2  ARG  18           2HB      ARG  18 -14.225   1.627  -0.078
  153    HB3  ARG  18           1HB      ARG  18 -14.457  -0.061   0.337
  154    HG2  ARG  18           2HG      ARG  18 -14.948   1.307   2.254
  155    HG3  ARG  18           1HG      ARG  18 -13.485   0.385   2.568
  156    HD2  ARG  18           2HD      ARG  18 -13.197   2.630   3.380
  157    HD3  ARG  18           1HD      ARG  18 -12.155   2.391   1.979
  158    HE   ARG  18           HE       ARG  18 -14.637   3.482   1.182
  159   HH11  ARG  18          1HH1      ARG  18 -11.633   4.442   2.797
  160   HH12  ARG  18          2HH1      ARG  18 -11.754   6.075   2.361
  161   HH21  ARG  18          1HH2      ARG  18 -14.833   5.681   0.626
  162   HH22  ARG  18          2HH2      ARG  18 -13.649   6.816   1.081
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -8.998  -1.468  -1.538
    2    HA2  GLY   1           2HA      GLY   1  -9.315  -3.929  -2.676
    3    HA3  GLY   1           1HA      GLY   1  -9.208  -2.809  -4.038
    4    H    VAL   2           H        VAL   2  -7.588  -0.911  -2.777
    5    HA   VAL   2           HA       VAL   2  -5.186  -2.309  -2.032
    6    HB   VAL   2           HB       VAL   2  -3.790  -0.659  -3.423
    7   HG11  VAL   2          1HG1      VAL   2  -3.955  -3.008  -4.008
    8   HG12  VAL   2          2HG1      VAL   2  -3.902  -2.004  -5.455
    9   HG13  VAL   2          3HG1      VAL   2  -5.437  -2.691  -4.912
   10   HG21  VAL   2          3HG2      VAL   2  -6.422  -0.309  -4.874
   11   HG22  VAL   2          1HG2      VAL   2  -4.847   0.209  -5.488
   12   HG23  VAL   2          2HG2      VAL   2  -5.502   0.937  -4.030
   13    H    ABA   3           H        ABA   3  -5.871  -1.673  -0.020
   14    HA   ABA   3           HA       ABA   3  -5.705   1.133   0.672
   15    HB3  ABA   3           1HB      ABA   3  -6.019   0.253   3.022
   16    HB2  ABA   3           2HB      ABA   3  -6.117  -1.360   2.337
   17    HG1  ABA   3           3HG      ABA   3  -8.082  -0.715   1.057
   18    HG3  ABA   3           1HG      ABA   3  -7.982   0.911   1.727
   19    HG2  ABA   3           2HG      ABA   3  -8.326  -0.455   2.789
   20    H    ARG   4           H        ARG   4  -4.285   1.388   2.853
   21    HA   ARG   4           HA       ARG   4  -1.625   0.937   1.931
   22    HB2  ARG   4           2HB      ARG   4  -0.841   2.040   3.980
   23    HB3  ARG   4           1HB      ARG   4  -2.153   2.952   3.274
   24    HG2  ARG   4           2HG      ARG   4  -3.689   2.063   4.965
   25    HG3  ARG   4           1HG      ARG   4  -2.376   1.113   5.648
   26    HD2  ARG   4           2HD      ARG   4  -2.608   3.060   6.995
   27    HD3  ARG   4           1HD      ARG   4  -1.145   3.264   6.033
   28    HE   ARG   4           HE       ARG   4  -3.397   4.375   4.750
   29   HH11  ARG   4          1HH1      ARG   4  -0.934   5.090   7.196
   30   HH12  ARG   4          2HH1      ARG   4  -1.285   6.748   7.253
   31   HH21  ARG   4          1HH2      ARG   4  -3.831   6.654   4.795
   32   HH22  ARG   4          2HH2      ARG   4  -2.942   7.669   5.830
   33    H    ABA   5           H        ABA   5  -1.308  -1.182   1.687
   34    HA   ABA   5           HA       ABA   5  -0.751  -2.618   4.164
   35    HB3  ABA   5           1HB      ABA   5  -2.921  -3.512   3.484
   36    HB2  ABA   5           2HB      ABA   5  -1.696  -4.744   3.226
   37    HG1  ABA   5           3HG      ABA   5  -2.901  -3.001   1.091
   38    HG3  ABA   5           1HG      ABA   5  -3.273  -4.701   1.389
   39    HG2  ABA   5           2HG      ABA   5  -1.662  -4.227   0.840
   40    H    VAL   6           H        VAL   6   0.634  -1.235   2.107
   41    HA   VAL   6           HA       VAL   6   2.667  -3.254   1.475
   42    HB   VAL   6           HB       VAL   6   2.004  -0.935  -0.225
   43   HG11  VAL   6          1HG1      VAL   6   4.259  -1.655  -0.529
   44   HG12  VAL   6          2HG1      VAL   6   3.368  -2.116  -1.984
   45   HG13  VAL   6          3HG1      VAL   6   3.753  -3.324  -0.765
   46   HG21  VAL   6          3HG2      VAL   6   0.981  -2.467  -1.928
   47   HG22  VAL   6          1HG2      VAL   6   0.069  -2.370  -0.418
   48   HG23  VAL   6          2HG2      VAL   6   1.093  -3.770  -0.746
   49    H    ABA   7           H        ABA   7   3.872  -2.551   3.061
   50    HA   ABA   7           HA       ABA   7   4.658   0.261   3.153
   51    HB3  ABA   7           1HB      ABA   7   5.097  -0.135   5.563
   52    HB2  ABA   7           2HB      ABA   7   4.373  -1.727   5.404
   53    HG1  ABA   7           3HG      ABA   7   2.245  -0.709   4.768
   54    HG3  ABA   7           1HG      ABA   7   2.952   0.890   4.966
   55    HG2  ABA   7           2HG      ABA   7   2.783  -0.172   6.361
   56    H    ARG   8           H        ARG   8   6.255  -0.507   1.528
   57    HA   ARG   8           HA       ARG   8   8.465  -1.803   2.860
   58    HB2  ARG   8           2HB      ARG   8   7.641  -1.941  -0.046
   59    HB3  ARG   8           1HB      ARG   8   9.205  -2.494   0.553
   60    HG2  ARG   8           2HG      ARG   8   8.056  -4.088   2.027
   61    HG3  ARG   8           1HG      ARG   8   6.512  -3.561   1.362
   62    HD2  ARG   8           2HD      ARG   8   8.743  -4.685  -0.301
   63    HD3  ARG   8           1HD      ARG   8   7.468  -5.674   0.389
   64    HE   ARG   8           HE       ARG   8   5.919  -4.249  -0.890
   65   HH11  ARG   8          1HH1      ARG   8   9.273  -4.577  -2.004
   66   HH12  ARG   8          2HH1      ARG   8   8.906  -4.507  -3.656
   67   HH21  ARG   8          1HH2      ARG   8   5.387  -4.204  -3.193
   68   HH22  ARG   8          2HH2      ARG   8   6.641  -4.280  -4.351
   69    H    ARG   9           H        ARG   9  10.537  -1.010   2.233
   70    HA   ARG   9           HA       ARG   9  10.390   1.883   2.237
   71    HB2  ARG   9           2HB      ARG   9  12.893   0.215   2.492
   72    HB3  ARG   9           1HB      ARG   9  12.667   1.884   2.985
   73    HG2  ARG   9           2HG      ARG   9  11.392  -0.535   4.248
   74    HG3  ARG   9           1HG      ARG   9  12.690   0.447   4.925
   75    HD2  ARG   9           2HD      ARG   9   9.904   1.433   4.312
   76    HD3  ARG   9           1HD      ARG   9  10.455   0.918   5.896
   77    HE   ARG   9           HE       ARG   9  11.886   3.086   4.563
   78   HH11  ARG   9          1HH1      ARG   9   9.634   2.066   7.078
   79   HH12  ARG   9          2HH1      ARG   9   9.724   3.513   7.965
   80   HH21  ARG   9          1HH2      ARG   9  11.999   5.105   5.763
   81   HH22  ARG   9          2HH2      ARG   9  11.112   5.280   7.202
   82    H    GLY  10           H        GLY  10   9.729   2.099   0.147
   83    HA2  GLY  10           2HA      GLY  10  11.183   3.178  -1.724
   84    HA3  GLY  10           1HA      GLY  10  11.574   1.480  -2.025
   85    H    VAL  11           H        VAL  11   9.284   0.252  -1.475
   86    HA   VAL  11           HA       VAL  11   7.398   1.411  -3.388
   87    HB   VAL  11           HB       VAL  11   7.693  -1.541  -2.734
   88   HG11  VAL  11          1HG1      VAL  11   5.469  -0.916  -3.511
   89   HG12  VAL  11          2HG1      VAL  11   6.294  -1.889  -4.729
   90   HG13  VAL  11          3HG1      VAL  11   6.166  -0.140  -4.933
   91   HG21  VAL  11          3HG2      VAL  11   8.694  -0.080  -5.176
   92   HG22  VAL  11          1HG2      VAL  11   8.754  -1.823  -4.929
   93   HG23  VAL  11          2HG2      VAL  11   9.709  -0.752  -3.902
   94    H    ABA  12           H        ABA  12   6.628   2.576  -1.548
   95    HA   ABA  12           HA       ABA  12   5.011   0.941   0.253
   96    HB3  ABA  12           1HB      ABA  12   5.837   3.850   0.460
   97    HB2  ABA  12           2HB      ABA  12   6.497   2.511   1.402
   98    HG1  ABA  12           3HG      ABA  12   4.955   3.794   2.737
   99    HG3  ABA  12           1HG      ABA  12   4.320   2.175   2.456
  100    HG2  ABA  12           2HG      ABA  12   3.678   3.544   1.551
  101    H    ARG  13           H        ARG  13   2.931   0.901  -0.079
  102    HA   ARG  13           HA       ARG  13   1.829   2.905  -1.892
  103    HB2  ARG  13           2HB      ARG  13   2.046   0.769  -3.056
  104    HB3  ARG  13           1HB      ARG  13   1.190  -0.053  -1.769
  105    HG2  ARG  13           2HG      ARG  13  -0.870   0.885  -2.405
  106    HG3  ARG  13           1HG      ARG  13  -0.078   2.094  -3.422
  107    HD2  ARG  13           2HD      ARG  13   0.066  -0.877  -3.927
  108    HD3  ARG  13           1HD      ARG  13  -1.091   0.206  -4.711
  109    HE   ARG  13           HE       ARG  13   1.199   1.441  -5.210
  110   HH11  ARG  13          1HH1      ARG  13   0.401  -1.973  -5.679
  111   HH12  ARG  13          2HH1      ARG  13   1.395  -2.158  -7.042
  112   HH21  ARG  13          1HH2      ARG  13   2.583   1.175  -7.066
  113   HH22  ARG  13          2HH2      ARG  13   2.703  -0.345  -7.817
  114    H    ABA  14           H        ABA  14   1.109   4.198  -0.406
  115    HA   ABA  14           HA       ABA  14  -0.797   3.259   1.580
  116    HB3  ABA  14           1HB      ABA  14   0.654   5.912   1.284
  117    HB2  ABA  14           2HB      ABA  14   1.163   4.612   2.345
  118    HG1  ABA  14           3HG      ABA  14   0.046   6.359   3.589
  119    HG3  ABA  14           1HG      ABA  14  -0.890   4.867   3.646
  120    HG2  ABA  14           2HG      ABA  14  -1.390   6.178   2.583
  121    H    VAL  15           H        VAL  15  -2.378   2.959  -0.078
  122    HA   VAL  15           HA       VAL  15  -3.413   5.450  -1.203
  123    HB   VAL  15           HB       VAL  15  -3.643   2.640  -2.372
  124   HG11  VAL  15          1HG1      VAL  15  -4.478   5.290  -3.547
  125   HG12  VAL  15          2HG1      VAL  15  -5.553   4.058  -2.895
  126   HG13  VAL  15          3HG1      VAL  15  -4.597   3.716  -4.341
  127   HG21  VAL  15          3HG2      VAL  15  -2.009   4.984  -3.329
  128   HG22  VAL  15          1HG2      VAL  15  -2.160   3.427  -4.140
  129   HG23  VAL  15          2HG2      VAL  15  -1.375   3.532  -2.560
  130    H    ABA  16           H        ABA  16  -5.718   5.621  -1.264
  131    HA   ABA  16           HA       ABA  16  -7.025   3.973   0.742
  132    HB3  ABA  16           1HB      ABA  16  -6.898   6.162   1.629
  133    HB2  ABA  16           2HB      ABA  16  -8.539   6.007   1.010
  134    HG1  ABA  16           3HG      ABA  16  -6.295   7.429  -0.390
  135    HG3  ABA  16           1HG      ABA  16  -7.617   8.189   0.492
  136    HG2  ABA  16           2HG      ABA  16  -7.952   7.271  -0.975
  137    H    ARG  17           H        ARG  17  -7.339   2.519  -1.122
  138    HA   ARG  17           HA       ARG  17  -9.847   3.143  -2.474
  139    HB2  ARG  17           2HB      ARG  17  -7.453   1.645  -3.576
  140    HB3  ARG  17           1HB      ARG  17  -9.029   1.668  -4.355
  141    HG2  ARG  17           2HG      ARG  17  -8.837   4.034  -4.724
  142    HG3  ARG  17           1HG      ARG  17  -7.310   4.085  -3.845
  143    HD2  ARG  17           2HD      ARG  17  -6.875   4.089  -6.226
  144    HD3  ARG  17           1HD      ARG  17  -6.336   2.563  -5.537
  145    HE   ARG  17           HE       ARG  17  -9.000   2.483  -6.566
  146   HH11  ARG  17          1HH1      ARG  17  -5.582   2.138  -7.464
  147   HH12  ARG  17          2HH1      ARG  17  -5.897   1.216  -8.854
  148   HH21  ARG  17          1HH2      ARG  17  -9.430   1.251  -8.489
  149   HH22  ARG  17          2HH2      ARG  17  -8.138   0.735  -9.483
  150    H    ARG  18           H        ARG  18 -11.296   1.393  -2.447
  151    HA   ARG  18           HA       ARG  18 -10.705  -0.590  -0.441
  152    HB2  ARG  18           2HB      ARG  18 -13.211  -0.249  -2.120
  153    HB3  ARG  18           1HB      ARG  18 -13.041  -1.374  -0.782
  154    HG2  ARG  18           2HG      ARG  18 -12.649   0.552   0.728
  155    HG3  ARG  18           1HG      ARG  18 -12.947   1.629  -0.633
  156    HD2  ARG  18           2HD      ARG  18 -14.963   1.465   0.665
  157    HD3  ARG  18           1HD      ARG  18 -15.205   0.625  -0.859
  158    HE   ARG  18           HE       ARG  18 -14.710  -1.468   0.440
  159   HH11  ARG  18          1HH1      ARG  18 -16.103   1.366   2.083
  160   HH12  ARG  18          2HH1      ARG  18 -16.890   0.447   3.264
  161   HH21  ARG  18          1HH2      ARG  18 -15.808  -2.699   2.049
  162   HH22  ARG  18          2HH2      ARG  18 -16.733  -1.937   3.265
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1 -10.352  -1.492  -1.339
    2    HA2  GLY   1           2HA      GLY   1 -10.819  -3.544  -2.627
    3    HA3  GLY   1           1HA      GLY   1 -10.681  -2.541  -4.069
    4    H    VAL   2           H        VAL   2  -8.478  -0.972  -3.146
    5    HA   VAL   2           HA       VAL   2  -6.343  -2.902  -2.887
    6    HB   VAL   2           HB       VAL   2  -5.026  -1.689  -4.746
    7   HG11  VAL   2          1HG1      VAL   2  -7.416  -3.348  -5.518
    8   HG12  VAL   2          2HG1      VAL   2  -5.849  -3.966  -5.002
    9   HG13  VAL   2          3HG1      VAL   2  -5.990  -3.080  -6.520
   10   HG21  VAL   2          3HG2      VAL   2  -6.392  -0.699  -6.559
   11   HG22  VAL   2          1HG2      VAL   2  -6.494   0.232  -5.063
   12   HG23  VAL   2          2HG2      VAL   2  -7.819  -0.834  -5.528
   13    H    ABA   3           H        ABA   3  -6.044  -2.077  -0.839
   14    HA   ABA   3           HA       ABA   3  -4.576   0.427  -0.822
   15    HB3  ABA   3           1HB      ABA   3  -6.717   1.100  -0.036
   16    HB2  ABA   3           2HB      ABA   3  -5.671   1.030   1.382
   17    HG1  ABA   3           3HG      ABA   3  -7.871   0.155   1.875
   18    HG3  ABA   3           1HG      ABA   3  -6.656  -1.121   1.991
   19    HG2  ABA   3           2HG      ABA   3  -7.704  -1.026   0.577
   20    H    ARG   4           H        ARG   4  -2.749  -0.785  -0.827
   21    HA   ARG   4           HA       ARG   4  -2.325  -2.752   1.223
   22    HB2  ARG   4           2HB      ARG   4  -0.439  -1.722  -0.888
   23    HB3  ARG   4           1HB      ARG   4  -0.116  -3.072   0.187
   24    HG2  ARG   4           2HG      ARG   4  -2.027  -4.273  -0.765
   25    HG3  ARG   4           1HG      ARG   4  -2.302  -2.921  -1.865
   26    HD2  ARG   4           2HD      ARG   4  -0.035  -3.258  -2.785
   27    HD3  ARG   4           1HD      ARG   4   0.152  -4.661  -1.736
   28    HE   ARG   4           HE       ARG   4  -2.190  -5.005  -3.131
   29   HH11  ARG   4          1HH1      ARG   4   1.267  -4.790  -3.931
   30   HH12  ARG   4          2HH1      ARG   4   1.142  -5.766  -5.314
   31   HH21  ARG   4          1HH2      ARG   4  -2.325  -6.375  -5.039
   32   HH22  ARG   4          2HH2      ARG   4  -0.920  -6.692  -5.951
   33    H    ABA   5           H        ABA   5  -1.829  -2.181   3.154
   34    HA   ABA   5           HA       ABA   5  -0.285   0.223   3.679
   35    HB3  ABA   5           1HB      ABA   5  -1.510  -1.795   5.605
   36    HB2  ABA   5           2HB      ABA   5  -2.285  -0.300   5.098
   37    HG1  ABA   5           3HG      ABA   5  -1.322  -0.062   7.308
   38    HG3  ABA   5           1HG      ABA   5  -0.487   0.988   6.165
   39    HG2  ABA   5           2HG      ABA   5   0.261  -0.521   6.689
   40    H    VAL   6           H        VAL   6   1.590  -0.504   2.690
   41    HA   VAL   6           HA       VAL   6   3.007  -2.663   4.050
   42    HB   VAL   6           HB       VAL   6   2.411  -3.321   1.792
   43   HG11  VAL   6          1HG1      VAL   6   2.060  -1.186   0.772
   44   HG12  VAL   6          2HG1      VAL   6   3.174  -2.143  -0.200
   45   HG13  VAL   6          3HG1      VAL   6   3.790  -0.838   0.823
   46   HG21  VAL   6          3HG2      VAL   6   5.341  -2.635   1.912
   47   HG22  VAL   6          1HG2      VAL   6   4.616  -3.796   0.803
   48   HG23  VAL   6          2HG2      VAL   6   4.585  -4.100   2.539
   49    H    ABA   7           H        ABA   7   5.299  -2.335   4.326
   50    HA   ABA   7           HA       ABA   7   6.108   0.447   4.117
   51    HB3  ABA   7           1HB      ABA   7   5.626   0.230   6.413
   52    HB2  ABA   7           2HB      ABA   7   7.370  -0.005   6.282
   53    HG1  ABA   7           3HG      ABA   7   5.369  -2.211   6.581
   54    HG3  ABA   7           1HG      ABA   7   6.409  -1.572   7.855
   55    HG2  ABA   7           2HG      ABA   7   7.112  -2.401   6.462
   56    H    ARG   8           H        ARG   8   6.974  -0.565   2.044
   57    HA   ARG   8           HA       ARG   8   9.546  -1.818   2.516
   58    HB2  ARG   8           2HB      ARG   8   7.673  -1.825   0.150
   59    HB3  ARG   8           1HB      ARG   8   9.348  -2.348   0.053
   60    HG2  ARG   8           2HG      ARG   8   7.309  -3.570   1.895
   61    HG3  ARG   8           1HG      ARG   8   7.715  -4.208   0.296
   62    HD2  ARG   8           2HD      ARG   8  10.068  -4.367   1.025
   63    HD3  ARG   8           1HD      ARG   8   9.572  -3.856   2.639
   64    HE   ARG   8           HE       ARG   8   8.022  -6.005   2.128
   65   HH11  ARG   8          1HH1      ARG   8  11.480  -5.379   2.059
   66   HH12  ARG   8          2HH1      ARG   8  11.953  -6.955   2.473
   67   HH21  ARG   8          1HH2      ARG   8   8.622  -8.205   2.676
   68   HH22  ARG   8          2HH2      ARG   8  10.252  -8.620   2.857
   69    H    ARG   9           H        ARG   9  11.188  -1.088   1.023
   70    HA   ARG   9           HA       ARG   9  11.225   1.805   0.958
   71    HB2  ARG   9           2HB      ARG   9  13.384  -0.144   0.116
   72    HB3  ARG   9           1HB      ARG   9  13.578   1.587   0.304
   73    HG2  ARG   9           2HG      ARG   9  13.111  -0.463   2.462
   74    HG3  ARG   9           1HG      ARG   9  14.541   0.539   2.205
   75    HD2  ARG   9           2HD      ARG   9  11.807   1.448   3.086
   76    HD3  ARG   9           1HD      ARG   9  13.283   1.427   4.047
   77    HE   ARG   9           HE       ARG   9  13.856   2.999   1.897
   78   HH11  ARG   9          1HH1      ARG   9  11.505   3.057   4.528
   79   HH12  ARG   9          2HH1      ARG   9  11.243   4.729   4.485
   80   HH21  ARG   9          1HH2      ARG   9  13.502   5.340   1.797
   81   HH22  ARG   9          2HH2      ARG   9  12.415   6.055   2.880
   82    H    GLY  10           H        GLY  10   9.807   2.302  -0.586
   83    HA2  GLY  10           2HA      GLY  10  10.071   3.064  -2.970
   84    HA3  GLY  10           1HA      GLY  10  10.344   1.353  -3.320
   85    H    VAL  11           H        VAL  11   8.611   0.039  -1.924
   86    HA   VAL  11           HA       VAL  11   6.051   1.053  -2.881
   87    HB   VAL  11           HB       VAL  11   6.750  -1.787  -2.036
   88   HG11  VAL  11          1HG1      VAL  11   4.284  -0.696  -3.397
   89   HG12  VAL  11          2HG1      VAL  11   4.384  -1.248  -1.726
   90   HG13  VAL  11          3HG1      VAL  11   4.602  -2.396  -3.050
   91   HG21  VAL  11          3HG2      VAL  11   6.657  -2.341  -4.414
   92   HG22  VAL  11          1HG2      VAL  11   7.909  -1.139  -4.103
   93   HG23  VAL  11          2HG2      VAL  11   6.372  -0.645  -4.809
   94    H    ABA  12           H        ABA  12   5.813   2.454  -1.223
   95    HA   ABA  12           HA       ABA  12   5.482   1.368   1.450
   96    HB3  ABA  12           1HB      ABA  12   5.027   3.736   2.122
   97    HB2  ABA  12           2HB      ABA  12   5.288   4.220   0.453
   98    HG1  ABA  12           3HG      ABA  12   7.577   3.397   0.572
   99    HG3  ABA  12           1HG      ABA  12   7.311   2.930   2.250
  100    HG2  ABA  12           2HG      ABA  12   7.257   4.638   1.788
  101    H    ARG  13           H        ARG  13   3.525   2.627   2.526
  102    HA   ARG  13           HA       ARG  13   1.225   1.335   1.855
  103    HB2  ARG  13           2HB      ARG  13   0.053   3.032   3.239
  104    HB3  ARG  13           1HB      ARG  13   1.439   2.277   4.004
  105    HG2  ARG  13           2HG      ARG  13   2.806   4.244   3.495
  106    HG3  ARG  13           1HG      ARG  13   1.416   5.008   2.728
  107    HD2  ARG  13           2HD      ARG  13   1.824   5.776   5.048
  108    HD3  ARG  13           1HD      ARG  13   0.231   5.071   4.805
  109    HE   ARG  13           HE       ARG  13   0.870   3.189   5.989
  110   HH11  ARG  13          1HH1      ARG  13   3.427   5.637   5.950
  111   HH12  ARG  13          2HH1      ARG  13   4.220   5.064   7.333
  112   HH21  ARG  13          1HH2      ARG  13   2.060   2.337   7.937
  113   HH22  ARG  13          2HH2      ARG  13   3.454   3.170   8.431
  114    H    ABA  14           H        ABA  14  -0.270   1.526   0.499
  115    HA   ABA  14           HA       ABA  14  -0.247   3.596  -1.527
  116    HB3  ABA  14           1HB      ABA  14  -1.933   2.148  -2.587
  117    HB2  ABA  14           2HB      ABA  14  -1.944   1.112  -1.166
  118    HG1  ABA  14           3HG      ABA  14  -0.638   0.123  -2.949
  119    HG3  ABA  14           1HG      ABA  14   0.389   0.529  -1.575
  120    HG2  ABA  14           2HG      ABA  14   0.395   1.553  -3.007
  121    H    VAL  15           H        VAL  15  -2.013   4.974  -1.859
  122    HA   VAL  15           HA       VAL  15  -3.473   5.808   0.414
  123    HB   VAL  15           HB       VAL  15  -2.966   7.325  -1.482
  124   HG11  VAL  15          1HG1      VAL  15  -3.333   5.868  -3.379
  125   HG12  VAL  15          2HG1      VAL  15  -4.323   7.317  -3.533
  126   HG13  VAL  15          3HG1      VAL  15  -5.057   5.796  -3.022
  127   HG21  VAL  15          3HG2      VAL  15  -5.909   7.096  -0.875
  128   HG22  VAL  15          1HG2      VAL  15  -5.138   8.507  -1.601
  129   HG23  VAL  15          2HG2      VAL  15  -4.704   8.008   0.032
  130    H    ABA  16           H        ABA  16  -5.599   5.547   0.939
  131    HA   ABA  16           HA       ABA  16  -6.492   2.929   0.611
  132    HB3  ABA  16           1HB      ABA  16  -8.510   3.662   1.926
  133    HB2  ABA  16           2HB      ABA  16  -7.820   5.281   1.926
  134    HG1  ABA  16           3HG      ABA  16  -7.307   4.128   3.989
  135    HG3  ABA  16           1HG      ABA  16  -5.833   4.430   3.067
  136    HG2  ABA  16           2HG      ABA  16  -6.547   2.817   3.090
  137    H    ARG  17           H        ARG  17  -6.837   2.543  -1.513
  138    HA   ARG  17           HA       ARG  17  -9.226   3.716  -2.668
  139    HB2  ARG  17           2HB      ARG  17  -7.199   1.793  -3.842
  140    HB3  ARG  17           1HB      ARG  17  -8.561   2.479  -4.713
  141    HG2  ARG  17           2HG      ARG  17  -6.184   3.978  -3.620
  142    HG3  ARG  17           1HG      ARG  17  -6.492   3.596  -5.312
  143    HD2  ARG  17           2HD      ARG  17  -8.203   5.355  -3.552
  144    HD3  ARG  17           1HD      ARG  17  -7.076   5.916  -4.779
  145    HE   ARG  17           HE       ARG  17  -8.619   4.421  -6.284
  146   HH11  ARG  17          1HH1      ARG  17  -9.721   6.521  -3.640
  147   HH12  ARG  17          2HH1      ARG  17 -11.155   6.978  -4.425
  148   HH21  ARG  17          1HH2      ARG  17 -10.583   5.024  -7.322
  149   HH22  ARG  17          2HH2      ARG  17 -11.665   6.105  -6.571
  150    H    ARG  18           H        ARG  18 -11.032   2.619  -2.488
  151    HA   ARG  18           HA       ARG  18 -11.294   0.374  -0.842
  152    HB2  ARG  18           2HB      ARG  18 -13.224   1.383  -2.948
  153    HB3  ARG  18           1HB      ARG  18 -13.622   0.313  -1.616
  154    HG2  ARG  18           2HG      ARG  18 -13.133   2.079  -0.014
  155    HG3  ARG  18           1HG      ARG  18 -12.674   3.158  -1.332
  156    HD2  ARG  18           2HD      ARG  18 -14.954   2.954  -2.245
  157    HD3  ARG  18           1HD      ARG  18 -15.397   1.941  -0.877
  158    HE   ARG  18           HE       ARG  18 -14.309   4.475  -0.109
  159   HH11  ARG  18          1HH1      ARG  18 -17.301   2.800  -0.985
  160   HH12  ARG  18          2HH1      ARG  18 -18.319   3.974  -0.323
  161   HH21  ARG  18          1HH2      ARG  18 -15.692   6.070   0.812
  162   HH22  ARG  18          2HH2      ARG  18 -17.390   5.894   0.732
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -8.140  -0.776  -3.347
    2    HA2  GLY   1           2HA      GLY   1  -8.297  -2.816  -2.170
    3    HA3  GLY   1           1HA      GLY   1  -7.414  -3.609  -3.465
    4    H    VAL   2           H        VAL   2  -5.545  -1.248  -3.448
    5    HA   VAL   2           HA       VAL   2  -3.817  -2.354  -1.412
    6    HB   VAL   2           HB       VAL   2  -3.216  -0.189  -3.455
    7   HG11  VAL   2          1HG1      VAL   2  -1.367  -1.841  -1.734
    8   HG12  VAL   2          2HG1      VAL   2  -1.713  -0.128  -1.533
    9   HG13  VAL   2          3HG1      VAL   2  -0.855  -0.694  -2.968
   10   HG21  VAL   2          3HG2      VAL   2  -3.771  -2.292  -4.568
   11   HG22  VAL   2          1HG2      VAL   2  -2.594  -3.143  -3.569
   12   HG23  VAL   2          2HG2      VAL   2  -2.049  -1.935  -4.733
   13    H    ABA   3           H        ABA   3  -4.803  -1.665   0.345
   14    HA   ABA   3           HA       ABA   3  -5.099   1.182   0.908
   15    HB3  ABA   3           1HB      ABA   3  -6.205   0.454   2.956
   16    HB2  ABA   3           2HB      ABA   3  -5.717  -1.212   2.672
   17    HG1  ABA   3           3HG      ABA   3  -7.134  -1.309   0.699
   18    HG3  ABA   3           1HG      ABA   3  -7.637   0.360   0.961
   19    HG2  ABA   3           2HG      ABA   3  -8.063  -0.886   2.136
   20    H    ARG   4           H        ARG   4  -4.332   1.579   3.425
   21    HA   ARG   4           HA       ARG   4  -1.572   1.594   3.457
   22    HB2  ARG   4           2HB      ARG   4  -2.815   2.981   4.992
   23    HB3  ARG   4           1HB      ARG   4  -3.468   1.576   5.829
   24    HG2  ARG   4           2HG      ARG   4  -1.728   2.576   7.171
   25    HG3  ARG   4           1HG      ARG   4  -1.165   1.020   6.558
   26    HD2  ARG   4           2HD      ARG   4  -0.015   2.260   4.709
   27    HD3  ARG   4           1HD      ARG   4  -0.437   3.760   5.533
   28    HE   ARG   4           HE       ARG   4   0.839   2.056   7.331
   29   HH11  ARG   4          1HH1      ARG   4   1.627   4.052   4.483
   30   HH12  ARG   4          2HH1      ARG   4   3.281   4.178   4.883
   31   HH21  ARG   4          1HH2      ARG   4   3.148   2.265   7.829
   32   HH22  ARG   4          2HH2      ARG   4   4.131   3.197   6.809
   33    H    ABA   5           H        ABA   5  -0.085   0.124   3.659
   34    HA   ABA   5           HA       ABA   5  -0.715  -2.443   4.873
   35    HB3  ABA   5           1HB      ABA   5  -1.266  -2.736   2.575
   36    HB2  ABA   5           2HB      ABA   5   0.261  -3.562   2.859
   37    HG1  ABA   5           3HG      ABA   5   0.286  -2.360   0.742
   38    HG3  ABA   5           1HG      ABA   5   1.466  -1.686   1.865
   39    HG2  ABA   5           2HG      ABA   5  -0.061  -0.852   1.586
   40    H    VAL   6           H        VAL   6   1.534  -3.776   4.166
   41    HA   VAL   6           HA       VAL   6   3.535  -2.894   5.900
   42    HB   VAL   6           HB       VAL   6   3.740  -4.830   3.559
   43   HG11  VAL   6          1HG1      VAL   6   5.971  -4.062   4.260
   44   HG12  VAL   6          2HG1      VAL   6   5.715  -5.757   4.653
   45   HG13  VAL   6          3HG1      VAL   6   5.603  -4.534   5.921
   46   HG21  VAL   6          3HG2      VAL   6   2.083  -5.491   5.210
   47   HG22  VAL   6          1HG2      VAL   6   3.286  -5.332   6.488
   48   HG23  VAL   6          2HG2      VAL   6   3.479  -6.572   5.249
   49    H    ABA   7           H        ABA   7   5.457  -1.874   5.553
   50    HA   ABA   7           HA       ABA   7   5.562   0.048   3.467
   51    HB3  ABA   7           1HB      ABA   7   7.715   0.705   4.549
   52    HB2  ABA   7           2HB      ABA   7   7.551  -0.676   5.620
   53    HG1  ABA   7           3HG      ABA   7   6.849   1.379   6.716
   54    HG3  ABA   7           1HG      ABA   7   5.504   0.253   6.544
   55    HG2  ABA   7           2HG      ABA   7   5.637   1.634   5.462
   56    H    ARG   8           H        ARG   8   5.590  -1.389   1.670
   57    HA   ARG   8           HA       ARG   8   8.156  -2.631   1.209
   58    HB2  ARG   8           2HB      ARG   8   5.552  -2.859  -0.302
   59    HB3  ARG   8           1HB      ARG   8   7.056  -3.575  -0.859
   60    HG2  ARG   8           2HG      ARG   8   7.135  -4.826   1.330
   61    HG3  ARG   8           1HG      ARG   8   5.494  -4.250   1.619
   62    HD2  ARG   8           2HD      ARG   8   6.367  -5.876  -0.765
   63    HD3  ARG   8           1HD      ARG   8   5.576  -6.524   0.664
   64    HE   ARG   8           HE       ARG   8   3.904  -4.566  -0.242
   65   HH11  ARG   8          1HH1      ARG   8   5.353  -7.411  -1.760
   66   HH12  ARG   8          2HH1      ARG   8   3.969  -7.779  -2.687
   67   HH21  ARG   8          1HH2      ARG   8   2.009  -5.102  -1.539
   68   HH22  ARG   8          2HH2      ARG   8   2.034  -6.460  -2.555
   69    H    ARG   9           H        ARG   9   9.533  -1.779  -0.054
   70    HA   ARG   9           HA       ARG   9   9.393   0.968  -0.438
   71    HB2  ARG   9           2HB      ARG   9  11.405  -0.947  -1.578
   72    HB3  ARG   9           1HB      ARG   9  11.605   0.794  -1.397
   73    HG2  ARG   9           2HG      ARG   9  11.325   0.529   1.047
   74    HG3  ARG   9           1HG      ARG   9  11.258  -1.210   0.808
   75    HD2  ARG   9           2HD      ARG   9  13.477  -0.618   1.468
   76    HD3  ARG   9           1HD      ARG   9  13.489  -1.117  -0.223
   77    HE   ARG   9           HE       ARG   9  13.175   1.688   0.063
   78   HH11  ARG   9          1HH1      ARG   9  15.560  -0.920   0.078
   79   HH12  ARG   9          2HH1      ARG   9  16.880   0.084  -0.294
   80   HH21  ARG   9          1HH2      ARG   9  15.017   3.087  -0.472
   81   HH22  ARG   9          2HH2      ARG   9  16.561   2.402  -0.607
   82    H    GLY  10           H        GLY  10   8.100   1.867  -1.783
   83    HA2  GLY  10           2HA      GLY  10   8.004   2.762  -4.007
   84    HA3  GLY  10           1HA      GLY  10   8.382   1.154  -4.607
   85    H    VAL  11           H        VAL  11   6.350   0.335  -2.278
   86    HA   VAL  11           HA       VAL  11   3.967   1.039  -3.747
   87    HB   VAL  11           HB       VAL  11   4.832  -1.022  -4.770
   88   HG11  VAL  11          1HG1      VAL  11   4.731  -3.191  -3.620
   89   HG12  VAL  11          2HG1      VAL  11   4.438  -2.331  -2.107
   90   HG13  VAL  11          3HG1      VAL  11   5.952  -2.090  -2.977
   91   HG21  VAL  11          3HG2      VAL  11   2.740  -2.374  -4.709
   92   HG22  VAL  11          1HG2      VAL  11   2.456  -0.648  -4.929
   93   HG23  VAL  11          2HG2      VAL  11   2.191  -1.391  -3.354
   94    H    ABA  12           H        ABA  12   4.985   1.815  -1.339
   95    HA   ABA  12           HA       ABA  12   3.121   0.633   0.577
   96    HB3  ABA  12           1HB      ABA  12   5.377   2.617   1.014
   97    HB2  ABA  12           2HB      ABA  12   5.417   0.902   1.383
   98    HG1  ABA  12           3HG      ABA  12   3.621   2.925   2.696
   99    HG3  ABA  12           1HG      ABA  12   5.085   2.227   3.385
  100    HG2  ABA  12           2HG      ABA  12   3.687   1.201   3.064
  101    H    ARG  13           H        ARG  13   1.213   1.530   0.717
  102    HA   ARG  13           HA       ARG  13   0.960   4.362   0.033
  103    HB2  ARG  13           2HB      ARG  13  -0.949   2.093  -0.499
  104    HB3  ARG  13           1HB      ARG  13  -1.416   3.777  -0.613
  105    HG2  ARG  13           2HG      ARG  13   0.241   4.130  -2.366
  106    HG3  ARG  13           1HG      ARG  13   0.726   2.433  -2.246
  107    HD2  ARG  13           2HD      ARG  13  -1.458   1.707  -2.946
  108    HD3  ARG  13           1HD      ARG  13  -2.064   3.360  -2.901
  109    HE   ARG  13           HE       ARG  13  -0.091   3.603  -4.622
  110   HH11  ARG  13          1HH1      ARG  13  -2.601   1.114  -4.465
  111   HH12  ARG  13          2HH1      ARG  13  -2.724   0.881  -6.143
  112   HH21  ARG  13          1HH2      ARG  13  -0.277   3.345  -6.938
  113   HH22  ARG  13          2HH2      ARG  13  -1.335   2.209  -7.616
  114    H    ABA  14           H        ABA  14  -0.658   5.535   1.130
  115    HA   ABA  14           HA       ABA  14  -1.774   4.324   3.559
  116    HB3  ABA  14           1HB      ABA  14   0.074   5.870   4.199
  117    HB2  ABA  14           2HB      ABA  14  -1.483   6.483   4.738
  118    HG1  ABA  14           3HG      ABA  14  -0.156   8.284   3.892
  119    HG3  ABA  14           1HG      ABA  14  -1.537   8.019   2.834
  120    HG2  ABA  14           2HG      ABA  14   0.064   7.459   2.354
  121    H    VAL  15           H        VAL  15  -2.672   4.612   0.937
  122    HA   VAL  15           HA       VAL  15  -5.142   6.054   1.372
  123    HB   VAL  15           HB       VAL  15  -3.795   7.633   0.112
  124   HG11  VAL  15          1HG1      VAL  15  -2.892   7.144  -2.139
  125   HG12  VAL  15          2HG1      VAL  15  -3.321   5.447  -1.912
  126   HG13  VAL  15          3HG1      VAL  15  -2.127   6.201  -0.862
  127   HG21  VAL  15          3HG2      VAL  15  -5.167   7.926  -1.935
  128   HG22  VAL  15          1HG2      VAL  15  -6.134   7.586  -0.500
  129   HG23  VAL  15          2HG2      VAL  15  -5.839   6.315  -1.680
  130    H    ABA  16           H        ABA  16  -6.809   5.035   0.528
  131    HA   ABA  16           HA       ABA  16  -6.461   2.257  -0.125
  132    HB3  ABA  16           1HB      ABA  16  -8.907   2.190  -0.161
  133    HB2  ABA  16           2HB      ABA  16  -8.977   3.948  -0.076
  134    HG1  ABA  16           3HG      ABA  16  -7.885   2.131   2.062
  135    HG3  ABA  16           1HG      ABA  16  -9.446   2.948   2.084
  136    HG2  ABA  16           2HG      ABA  16  -7.955   3.885   2.135
  137    H    ARG  17           H        ARG  17  -5.559   1.990  -2.093
  138    HA   ARG  17           HA       ARG  17  -7.016   3.146  -4.342
  139    HB2  ARG  17           2HB      ARG  17  -4.053   2.742  -4.054
  140    HB3  ARG  17           1HB      ARG  17  -4.835   3.057  -5.593
  141    HG2  ARG  17           2HG      ARG  17  -4.974   4.874  -3.207
  142    HG3  ARG  17           1HG      ARG  17  -3.837   5.064  -4.546
  143    HD2  ARG  17           2HD      ARG  17  -6.852   5.131  -4.736
  144    HD3  ARG  17           1HD      ARG  17  -5.778   6.518  -4.818
  145    HE   ARG  17           HE       ARG  17  -4.800   5.350  -6.830
  146   HH11  ARG  17          1HH1      ARG  17  -8.230   5.007  -5.961
  147   HH12  ARG  17          2HH1      ARG  17  -8.767   4.729  -7.534
  148   HH21  ARG  17          1HH2      ARG  17  -5.543   4.974  -9.016
  149   HH22  ARG  17          2HH2      ARG  17  -7.186   4.712  -9.331
  150    H    ARG  18           H        ARG  18  -8.247   1.505  -4.920
  151    HA   ARG  18           HA       ARG  18  -8.913  -0.385  -5.921
  152    HB2  ARG  18           2HB      ARG  18  -6.136  -0.218  -7.034
  153    HB3  ARG  18           1HB      ARG  18  -7.344  -1.351  -7.630
  154    HG2  ARG  18           2HG      ARG  18  -7.521   1.661  -7.691
  155    HG3  ARG  18           1HG      ARG  18  -7.174   0.611  -9.066
  156    HD2  ARG  18           2HD      ARG  18  -9.394  -0.472  -8.709
  157    HD3  ARG  18           1HD      ARG  18  -9.726   0.733  -7.468
  158    HE   ARG  18           HE       ARG  18  -9.111   2.269  -9.543
  159   HH11  ARG  18          1HH1      ARG  18 -11.354  -0.416  -9.184
  160   HH12  ARG  18          2HH1      ARG  18 -12.362   0.033 -10.470
  161   HH21  ARG  18          1HH2      ARG  18 -10.500   2.958 -11.281
  162   HH22  ARG  18          2HH2      ARG  18 -11.853   2.027 -11.717
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -9.890  -1.624  -1.498
    2    HA2  GLY   1           2HA      GLY   1 -10.594  -4.051  -2.479
    3    HA3  GLY   1           1HA      GLY   1 -10.137  -3.129  -3.915
    4    H    VAL   2           H        VAL   2  -8.255  -1.480  -2.837
    5    HA   VAL   2           HA       VAL   2  -6.257  -3.201  -1.670
    6    HB   VAL   2           HB       VAL   2  -5.703  -3.173  -4.064
    7   HG11  VAL   2          1HG1      VAL   2  -6.809  -1.137  -4.756
    8   HG12  VAL   2          2HG1      VAL   2  -5.125  -1.146  -5.288
    9   HG13  VAL   2          3HG1      VAL   2  -5.607  -0.172  -3.897
   10   HG21  VAL   2          3HG2      VAL   2  -3.829  -3.198  -2.527
   11   HG22  VAL   2          1HG2      VAL   2  -3.817  -1.436  -2.477
   12   HG23  VAL   2          2HG2      VAL   2  -3.409  -2.277  -3.970
   13    H    ABA   3           H        ABA   3  -6.004  -2.375   0.220
   14    HA   ABA   3           HA       ABA   3  -6.191   0.504   0.629
   15    HB3  ABA   3           1HB      ABA   3  -5.942  -1.722   2.672
   16    HB2  ABA   3           2HB      ABA   3  -7.483  -1.146   2.059
   17    HG1  ABA   3           3HG      ABA   3  -7.005  -0.173   4.231
   18    HG3  ABA   3           1HG      ABA   3  -7.029   1.073   2.979
   19    HG2  ABA   3           2HG      ABA   3  -5.492   0.490   3.611
   20    H    ARG   4           H        ARG   4  -4.548   1.407   2.116
   21    HA   ARG   4           HA       ARG   4  -1.987   0.902   1.065
   22    HB2  ARG   4           2HB      ARG   4  -1.228   2.744   2.604
   23    HB3  ARG   4           1HB      ARG   4  -2.482   3.171   1.454
   24    HG2  ARG   4           2HG      ARG   4  -4.150   3.131   3.197
   25    HG3  ARG   4           1HG      ARG   4  -2.959   2.534   4.358
   26    HD2  ARG   4           2HD      ARG   4  -2.784   5.182   2.916
   27    HD3  ARG   4           1HD      ARG   4  -3.377   4.971   4.562
   28    HE   ARG   4           HE       ARG   4  -0.980   3.816   4.697
   29   HH11  ARG   4          1HH1      ARG   4  -1.920   7.028   3.482
   30   HH12  ARG   4          2HH1      ARG   4  -0.421   7.745   3.788
   31   HH21  ARG   4          1HH2      ARG   4   1.090   4.824   5.156
   32   HH22  ARG   4          2HH2      ARG   4   1.320   6.465   4.766
   33    H    ABA   5           H        ABA   5  -1.319  -1.021   1.590
   34    HA   ABA   5           HA       ABA   5  -0.550  -1.422   4.384
   35    HB3  ABA   5           1HB      ABA   5  -0.667  -3.444   2.119
   36    HB2  ABA   5           2HB      ABA   5  -1.945  -3.243   3.312
   37    HG1  ABA   5           3HG      ABA   5   0.873  -4.131   3.856
   38    HG3  ABA   5           1HG      ABA   5  -0.563  -5.152   3.845
   39    HG2  ABA   5           2HG      ABA   5  -0.380  -3.904   5.078
   40    H    VAL   6           H        VAL   6   1.301  -0.302   4.466
   41    HA   VAL   6           HA       VAL   6   3.002  -0.255   2.166
   42    HB   VAL   6           HB       VAL   6   4.418   1.370   3.403
   43   HG11  VAL   6          1HG1      VAL   6   2.727   3.170   3.531
   44   HG12  VAL   6          2HG1      VAL   6   1.461   1.949   3.404
   45   HG13  VAL   6          3HG1      VAL   6   2.589   2.191   2.071
   46   HG21  VAL   6          3HG2      VAL   6   4.049   0.547   5.702
   47   HG22  VAL   6          1HG2      VAL   6   2.377   1.106   5.622
   48   HG23  VAL   6          2HG2      VAL   6   3.699   2.267   5.554
   49    H    ABA   7           H        ABA   7   3.848  -2.165   1.815
   50    HA   ABA   7           HA       ABA   7   5.791  -3.106   3.774
   51    HB3  ABA   7           1HB      ABA   7   5.288  -5.373   2.922
   52    HB2  ABA   7           2HB      ABA   7   3.975  -4.707   1.969
   53    HG1  ABA   7           3HG      ABA   7   2.881  -3.956   4.030
   54    HG3  ABA   7           1HG      ABA   7   4.134  -4.755   4.968
   55    HG2  ABA   7           2HG      ABA   7   3.059  -5.711   3.944
   56    H    ARG   8           H        ARG   8   6.745  -1.289   1.974
   57    HA   ARG   8           HA       ARG   8   8.433  -2.953   0.447
   58    HB2  ARG   8           2HB      ARG   8   6.507  -1.104  -0.865
   59    HB3  ARG   8           1HB      ARG   8   8.151  -1.098  -1.487
   60    HG2  ARG   8           2HG      ARG   8   7.970  -3.558  -1.809
   61    HG3  ARG   8           1HG      ARG   8   6.289  -3.456  -1.303
   62    HD2  ARG   8           2HD      ARG   8   5.757  -2.059  -3.194
   63    HD3  ARG   8           1HD      ARG   8   7.462  -1.967  -3.651
   64    HE   ARG   8           HE       ARG   8   6.620  -4.652  -3.519
   65   HH11  ARG   8          1HH1      ARG   8   6.257  -1.801  -5.660
   66   HH12  ARG   8          2HH1      ARG   8   6.068  -2.726  -7.058
   67   HH21  ARG   8          1HH2      ARG   8   6.337  -5.888  -5.489
   68   HH22  ARG   8          2HH2      ARG   8   6.124  -5.095  -6.973
   69    H    ARG   9           H        ARG   9  10.259  -2.440   0.983
   70    HA   ARG   9           HA       ARG   9  10.879   0.021   2.283
   71    HB2  ARG   9           2HB      ARG   9  12.341  -2.533   1.712
   72    HB3  ARG   9           1HB      ARG   9  13.268  -1.119   2.165
   73    HG2  ARG   9           2HG      ARG   9  12.790  -2.609   4.071
   74    HG3  ARG   9           1HG      ARG   9  12.125  -0.998   4.295
   75    HD2  ARG   9           2HD      ARG   9  10.545  -2.681   5.062
   76    HD3  ARG   9           1HD      ARG   9   9.914  -1.839   3.649
   77    HE   ARG   9           HE       ARG   9  11.216  -4.106   2.738
   78   HH11  ARG   9          1HH1      ARG   9   8.383  -3.399   4.744
   79   HH12  ARG   9          2HH1      ARG   9   7.591  -4.858   4.385
   80   HH21  ARG   9          1HH2      ARG   9  10.112  -6.036   2.167
   81   HH22  ARG   9          2HH2      ARG   9   8.584  -6.396   2.827
   82    H    GLY  10           H        GLY  10  10.364   1.350   0.607
   83    HA2  GLY  10           2HA      GLY  10  12.274   2.583  -0.817
   84    HA3  GLY  10           1HA      GLY  10  11.786   1.276  -1.888
   85    H    VAL  11           H        VAL  11   8.989   1.245  -0.886
   86    HA   VAL  11           HA       VAL  11   8.068   3.845  -1.585
   87    HB   VAL  11           HB       VAL  11   8.376   2.931  -3.826
   88   HG11  VAL  11          1HG1      VAL  11   6.553   0.689  -3.010
   89   HG12  VAL  11          2HG1      VAL  11   8.267   0.575  -3.417
   90   HG13  VAL  11          3HG1      VAL  11   7.093   1.025  -4.654
   91   HG21  VAL  11          3HG2      VAL  11   6.509   4.441  -3.525
   92   HG22  VAL  11          1HG2      VAL  11   5.468   3.095  -3.061
   93   HG23  VAL  11          2HG2      VAL  11   6.086   3.202  -4.708
   94    H    ABA  12           H        ABA  12   6.643   4.300  -0.234
   95    HA   ABA  12           HA       ABA  12   5.150   2.250   1.133
   96    HB3  ABA  12           1HB      ABA  12   4.347   4.168   2.530
   97    HB2  ABA  12           2HB      ABA  12   5.311   5.242   1.521
   98    HG1  ABA  12           3HG      ABA  12   7.337   4.115   2.211
   99    HG3  ABA  12           1HG      ABA  12   6.391   3.014   3.214
  100    HG2  ABA  12           2HG      ABA  12   6.436   4.733   3.601
  101    H    ARG  13           H        ARG  13   3.738   1.526  -0.266
  102    HA   ARG  13           HA       ARG  13   2.219   2.948  -2.145
  103    HB2  ARG  13           2HB      ARG  13   2.743   0.496  -2.133
  104    HB3  ARG  13           1HB      ARG  13   1.557   0.297  -0.858
  105    HG2  ARG  13           2HG      ARG  13  -0.207   1.027  -2.375
  106    HG3  ARG  13           1HG      ARG  13   0.983   1.258  -3.660
  107    HD2  ARG  13           2HD      ARG  13   1.615  -1.135  -3.420
  108    HD3  ARG  13           1HD      ARG  13   0.292  -1.327  -2.273
  109    HE   ARG  13           HE       ARG  13  -0.839  -0.282  -4.546
  110   HH11  ARG  13          1HH1      ARG  13   0.991  -3.230  -3.756
  111   HH12  ARG  13          2HH1      ARG  13   0.307  -4.140  -5.015
  112   HH21  ARG  13          1HH2      ARG  13  -1.770  -1.561  -6.237
  113   HH22  ARG  13          2HH2      ARG  13  -1.267  -3.190  -6.458
  114    H    ABA  14           H        ABA  14   1.111   4.623  -1.313
  115    HA   ABA  14           HA       ABA  14  -0.629   4.233   0.985
  116    HB3  ABA  14           1HB      ABA  14   0.863   6.068   1.299
  117    HB2  ABA  14           2HB      ABA  14  -0.728   6.748   1.025
  118    HG1  ABA  14           3HG      ABA  14   1.481   6.587  -1.020
  119    HG3  ABA  14           1HG      ABA  14   0.968   8.030  -0.139
  120    HG2  ABA  14           2HG      ABA  14  -0.127   7.264  -1.287
  121    H    VAL  15           H        VAL  15  -2.029   2.984  -0.508
  122    HA   VAL  15           HA       VAL  15  -3.720   4.778  -2.068
  123    HB   VAL  15           HB       VAL  15  -4.542   2.709  -3.260
  124   HG11  VAL  15          1HG1      VAL  15  -1.593   3.322  -3.405
  125   HG12  VAL  15          2HG1      VAL  15  -2.884   4.176  -4.255
  126   HG13  VAL  15          3HG1      VAL  15  -2.526   2.497  -4.652
  127   HG21  VAL  15          3HG2      VAL  15  -3.113   0.689  -3.143
  128   HG22  VAL  15          1HG2      VAL  15  -3.912   1.020  -1.603
  129   HG23  VAL  15          2HG2      VAL  15  -2.212   1.426  -1.819
  130    H    ABA  16           H        ABA  16  -5.620   5.294  -1.262
  131    HA   ABA  16           HA       ABA  16  -6.807   3.475   0.665
  132    HB3  ABA  16           1HB      ABA  16  -6.597   5.663   1.621
  133    HB2  ABA  16           2HB      ABA  16  -8.300   5.448   1.223
  134    HG1  ABA  16           3HG      ABA  16  -8.027   6.799  -0.784
  135    HG3  ABA  16           1HG      ABA  16  -6.332   7.051  -0.377
  136    HG2  ABA  16           2HG      ABA  16  -7.592   7.690   0.675
  137    H    ARG  17           H        ARG  17  -7.254   2.103  -1.283
  138    HA   ARG  17           HA       ARG  17  -9.645   3.033  -2.656
  139    HB2  ARG  17           2HB      ARG  17  -7.657   0.954  -3.595
  140    HB3  ARG  17           1HB      ARG  17  -9.046   1.551  -4.488
  141    HG2  ARG  17           2HG      ARG  17  -6.602   3.140  -3.732
  142    HG3  ARG  17           1HG      ARG  17  -6.986   2.515  -5.335
  143    HD2  ARG  17           2HD      ARG  17  -8.622   4.550  -3.806
  144    HD3  ARG  17           1HD      ARG  17  -7.462   4.914  -5.076
  145    HE   ARG  17           HE       ARG  17  -9.197   3.168  -6.229
  146   HH11  ARG  17          1HH1      ARG  17  -9.598   6.279  -4.556
  147   HH12  ARG  17          2HH1      ARG  17 -10.880   6.813  -5.524
  148   HH21  ARG  17          1HH2      ARG  17 -11.003   3.925  -7.591
  149   HH22  ARG  17          2HH2      ARG  17 -11.659   5.471  -7.298
  150    H    ARG  18           H        ARG  18 -11.295   1.605  -2.817
  151    HA   ARG  18           HA       ARG  18 -11.451  -0.322  -0.682
  152    HB2  ARG  18           2HB      ARG  18 -13.500   0.639  -2.671
  153    HB3  ARG  18           1HB      ARG  18 -13.840  -0.530  -1.399
  154    HG2  ARG  18           2HG      ARG  18 -13.284   1.072   0.300
  155    HG3  ARG  18           1HG      ARG  18 -12.779   2.239  -0.921
  156    HD2  ARG  18           2HD      ARG  18 -15.013   2.394  -1.757
  157    HD3  ARG  18           1HD      ARG  18 -15.566   1.137  -0.644
  158    HE   ARG  18           HE       ARG  18 -14.583   2.864   1.055
  159   HH11  ARG  18          1HH1      ARG  18 -16.615   3.516  -1.772
  160   HH12  ARG  18          2HH1      ARG  18 -17.310   4.906  -1.097
  161   HH21  ARG  18          1HH2      ARG  18 -15.628   4.685   1.992
  162   HH22  ARG  18          2HH2      ARG  18 -16.776   5.583   1.109
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1 -10.090  -2.026  -1.367
    2    HA2  GLY   1           2HA      GLY   1 -10.814  -3.861  -2.992
    3    HA3  GLY   1           1HA      GLY   1 -10.668  -2.563  -4.178
    4    H    VAL   2           H        VAL   2  -8.530  -1.216  -3.390
    5    HA   VAL   2           HA       VAL   2  -6.330  -3.095  -3.187
    6    HB   VAL   2           HB       VAL   2  -5.115  -1.802  -5.075
    7   HG11  VAL   2          1HG1      VAL   2  -6.099  -3.190  -6.848
    8   HG12  VAL   2          2HG1      VAL   2  -7.464  -3.557  -5.791
    9   HG13  VAL   2          3HG1      VAL   2  -5.839  -4.103  -5.365
   10   HG21  VAL   2          3HG2      VAL   2  -7.965  -1.063  -5.786
   11   HG22  VAL   2          1HG2      VAL   2  -6.549  -0.802  -6.807
   12   HG23  VAL   2          2HG2      VAL   2  -6.705   0.065  -5.280
   13    H    ABA   3           H        ABA   3  -6.286  -2.146  -1.083
   14    HA   ABA   3           HA       ABA   3  -5.046   0.486  -1.117
   15    HB3  ABA   3           1HB      ABA   3  -7.023   0.601   0.229
   16    HB2  ABA   3           2HB      ABA   3  -5.655   0.619   1.330
   17    HG1  ABA   3           3HG      ABA   3  -7.391  -1.751   0.749
   18    HG3  ABA   3           1HG      ABA   3  -7.449  -0.743   2.197
   19    HG2  ABA   3           2HG      ABA   3  -6.020  -1.722   1.859
   20    H    ARG   4           H        ARG   4  -2.979   0.171  -1.357
   21    HA   ARG   4           HA       ARG   4  -1.594  -2.013  -0.141
   22    HB2  ARG   4           2HB      ARG   4  -0.581   0.423  -1.619
   23    HB3  ARG   4           1HB      ARG   4   0.520  -0.694  -0.838
   24    HG2  ARG   4           2HG      ARG   4   0.428  -1.256  -3.155
   25    HG3  ARG   4           1HG      ARG   4  -0.421  -2.515  -2.278
   26    HD2  ARG   4           2HD      ARG   4  -2.568  -1.384  -2.866
   27    HD3  ARG   4           1HD      ARG   4  -1.647  -0.252  -3.860
   28    HE   ARG   4           HE       ARG   4  -1.313  -3.091  -4.389
   29   HH11  ARG   4          1HH1      ARG   4  -2.861  -0.065  -5.430
   30   HH12  ARG   4          2HH1      ARG   4  -3.209  -0.661  -6.987
   31   HH21  ARG   4          1HH2      ARG   4  -1.840  -3.846  -6.537
   32   HH22  ARG   4          2HH2      ARG   4  -2.647  -2.798  -7.616
   33    H    ABA   5           H        ABA   5  -1.328  -2.176   1.899
   34    HA   ABA   5           HA       ABA   5  -0.875   0.244   3.488
   35    HB3  ABA   5           1HB      ABA   5  -2.060  -2.424   4.349
   36    HB2  ABA   5           2HB      ABA   5  -3.014  -1.030   3.878
   37    HG1  ABA   5           3HG      ABA   5  -2.952  -1.243   6.280
   38    HG3  ABA   5           1HG      ABA   5  -2.135   0.233   5.762
   39    HG2  ABA   5           2HG      ABA   5  -1.191  -1.173   6.252
   40    H    VAL   6           H        VAL   6   1.131  -1.070   2.093
   41    HA   VAL   6           HA       VAL   6   2.678  -2.441   4.180
   42    HB   VAL   6           HB       VAL   6   4.219  -3.184   2.381
   43   HG11  VAL   6          1HG1      VAL   6   1.333  -3.903   1.926
   44   HG12  VAL   6          2HG1      VAL   6   2.445  -4.672   3.061
   45   HG13  VAL   6          3HG1      VAL   6   2.712  -4.820   1.323
   46   HG21  VAL   6          3HG2      VAL   6   3.866  -1.383   0.762
   47   HG22  VAL   6          1HG2      VAL   6   2.206  -1.927   0.500
   48   HG23  VAL   6          2HG2      VAL   6   3.558  -2.949   0.015
   49    H    ABA   7           H        ABA   7   5.044  -1.915   4.178
   50    HA   ABA   7           HA       ABA   7   5.627   0.736   3.235
   51    HB3  ABA   7           1HB      ABA   7   5.955   0.025   6.158
   52    HB2  ABA   7           2HB      ABA   7   4.646   1.020   5.531
   53    HG1  ABA   7           3HG      ABA   7   7.581   1.657   5.411
   54    HG3  ABA   7           1HG      ABA   7   6.381   2.401   6.465
   55    HG2  ABA   7           2HG      ABA   7   6.293   2.642   4.719
   56    H    ARG   8           H        ARG   8   6.907  -0.550   1.852
   57    HA   ARG   8           HA       ARG   8   9.218  -1.797   3.070
   58    HB2  ARG   8           2HB      ARG   8   7.916  -2.013   0.370
   59    HB3  ARG   8           1HB      ARG   8   9.474  -2.731   0.735
   60    HG2  ARG   8           2HG      ARG   8   8.438  -4.162   2.403
   61    HG3  ARG   8           1HG      ARG   8   6.882  -3.373   2.119
   62    HD2  ARG   8           2HD      ARG   8   7.109  -5.542   0.953
   63    HD3  ARG   8           1HD      ARG   8   6.829  -4.192  -0.144
   64    HE   ARG   8           HE       ARG   8   9.593  -4.655   0.181
   65   HH11  ARG   8          1HH1      ARG   8   6.758  -6.036  -1.434
   66   HH12  ARG   8          2HH1      ARG   8   7.638  -6.732  -2.711
   67   HH21  ARG   8          1HH2      ARG   8  10.800  -5.592  -1.574
   68   HH22  ARG   8          2HH2      ARG   8  10.013  -6.497  -2.777
   69    H    ARG   9           H        ARG   9  11.213  -1.162   2.283
   70    HA   ARG   9           HA       ARG   9  11.289   1.593   1.498
   71    HB2  ARG   9           2HB      ARG   9  13.557  -0.343   2.003
   72    HB3  ARG   9           1HB      ARG   9  13.763   1.369   1.669
   73    HG2  ARG   9           2HG      ARG   9  12.463   1.905   3.693
   74    HG3  ARG   9           1HG      ARG   9  12.342   0.182   4.042
   75    HD2  ARG   9           2HD      ARG   9  14.903   1.751   3.808
   76    HD3  ARG   9           1HD      ARG   9  14.139   1.265   5.318
   77    HE   ARG   9           HE       ARG   9  14.431  -1.067   4.086
   78   HH11  ARG   9          1HH1      ARG   9  16.751   1.572   4.588
   79   HH12  ARG   9          2HH1      ARG   9  18.120   0.559   4.595
   80   HH21  ARG   9          1HH2      ARG   9  16.312  -2.465   4.150
   81   HH22  ARG   9          2HH2      ARG   9  17.855  -1.813   4.360
   82    H    GLY  10           H        GLY  10  10.338   1.548  -0.431
   83    HA2  GLY  10           2HA      GLY  10  11.615   1.853  -2.727
   84    HA3  GLY  10           1HA      GLY  10  11.524   0.092  -2.658
   85    H    VAL  11           H        VAL  11   9.059   0.012  -1.252
   86    HA   VAL  11           HA       VAL  11   7.165   1.323  -2.959
   87    HB   VAL  11           HB       VAL  11   7.432  -0.774  -4.153
   88   HG11  VAL  11          1HG1      VAL  11   6.898  -2.226  -1.574
   89   HG12  VAL  11          2HG1      VAL  11   8.438  -2.147  -2.427
   90   HG13  VAL  11          3HG1      VAL  11   7.060  -2.974  -3.163
   91   HG21  VAL  11          3HG2      VAL  11   5.158   0.023  -4.060
   92   HG22  VAL  11          1HG2      VAL  11   4.890  -0.811  -2.528
   93   HG23  VAL  11          2HG2      VAL  11   5.157  -1.740  -4.000
   94    H    ABA  12           H        ABA  12   6.091   2.448  -1.552
   95    HA   ABA  12           HA       ABA  12   5.572   1.260   1.053
   96    HB3  ABA  12           1HB      ABA  12   5.250   3.605   1.857
   97    HB2  ABA  12           2HB      ABA  12   5.695   4.169   0.250
   98    HG1  ABA  12           3HG      ABA  12   7.558   4.354   1.761
   99    HG3  ABA  12           1HG      ABA  12   7.897   3.180   0.490
  100    HG2  ABA  12           2HG      ABA  12   7.474   2.624   2.106
  101    H    ARG  13           H        ARG  13   3.607   2.906   1.920
  102    HA   ARG  13           HA       ARG  13   1.339   1.560   0.964
  103    HB2  ARG  13           2HB      ARG  13   0.099   2.872   2.580
  104    HB3  ARG  13           1HB      ARG  13   1.573   2.235   3.287
  105    HG2  ARG  13           2HG      ARG  13   2.637   4.413   3.044
  106    HG3  ARG  13           1HG      ARG  13   1.161   5.064   2.331
  107    HD2  ARG  13           2HD      ARG  13   1.256   5.669   4.666
  108    HD3  ARG  13           1HD      ARG  13  -0.047   4.512   4.423
  109    HE   ARG  13           HE       ARG  13   2.595   3.863   5.520
  110   HH11  ARG  13          1HH1      ARG  13  -0.921   3.310   5.426
  111   HH12  ARG  13          2HH1      ARG  13  -0.937   2.231   6.737
  112   HH21  ARG  13          1HH2      ARG  13   2.554   2.352   7.357
  113   HH22  ARG  13          2HH2      ARG  13   1.094   1.616   7.804
  114    H    ABA  14           H        ABA  14  -0.644   2.587   0.383
  115    HA   ABA  14           HA       ABA  14  -0.408   4.989  -1.287
  116    HB3  ABA  14           1HB      ABA  14  -2.029   3.866  -2.868
  117    HB2  ABA  14           2HB      ABA  14  -1.801   2.377  -1.967
  118    HG1  ABA  14           3HG      ABA  14   0.560   2.354  -2.568
  119    HG3  ABA  14           1HG      ABA  14   0.338   3.841  -3.485
  120    HG2  ABA  14           2HG      ABA  14  -0.481   2.360  -3.991
  121    H    VAL  15           H        VAL  15  -2.661   5.930  -1.617
  122    HA   VAL  15           HA       VAL  15  -3.945   6.082   0.883
  123    HB   VAL  15           HB       VAL  15  -3.979   7.961  -0.691
  124   HG11  VAL  15          1HG1      VAL  15  -5.503   8.025  -2.607
  125   HG12  VAL  15          2HG1      VAL  15  -5.872   6.319  -2.358
  126   HG13  VAL  15          3HG1      VAL  15  -4.235   6.816  -2.792
  127   HG21  VAL  15          3HG2      VAL  15  -6.727   6.984   0.066
  128   HG22  VAL  15          1HG2      VAL  15  -6.351   8.633  -0.441
  129   HG23  VAL  15          2HG2      VAL  15  -5.642   7.984   1.035
  130    H    ABA  16           H        ABA  16  -5.676   5.204   1.670
  131    HA   ABA  16           HA       ABA  16  -6.315   2.600   0.915
  132    HB3  ABA  16           1HB      ABA  16  -7.778   4.434   2.813
  133    HB2  ABA  16           2HB      ABA  16  -6.424   3.399   3.234
  134    HG1  ABA  16           3HG      ABA  16  -8.520   2.417   3.960
  135    HG3  ABA  16           1HG      ABA  16  -7.777   1.425   2.708
  136    HG2  ABA  16           2HG      ABA  16  -9.136   2.470   2.308
  137    H    ARG  17           H        ARG  17  -7.372   2.115  -0.871
  138    HA   ARG  17           HA       ARG  17  -9.913   3.439  -1.390
  139    HB2  ARG  17           2HB      ARG  17  -8.069   2.113  -3.409
  140    HB3  ARG  17           1HB      ARG  17  -9.582   2.919  -3.775
  141    HG2  ARG  17           2HG      ARG  17  -7.030   4.209  -2.814
  142    HG3  ARG  17           1HG      ARG  17  -7.736   4.326  -4.422
  143    HD2  ARG  17           2HD      ARG  17  -8.907   5.398  -1.850
  144    HD3  ARG  17           1HD      ARG  17  -8.158   6.345  -3.129
  145    HE   ARG  17           HE       ARG  17 -10.184   4.945  -4.319
  146   HH11  ARG  17          1HH1      ARG  17  -9.960   7.392  -1.753
  147   HH12  ARG  17          2HH1      ARG  17 -11.498   8.018  -2.062
  148   HH21  ARG  17          1HH2      ARG  17 -12.301   5.813  -4.689
  149   HH22  ARG  17          2HH2      ARG  17 -12.868   7.116  -3.762
  150    H    ARG  18           H        ARG  18 -11.611   1.986  -1.610
  151    HA   ARG  18           HA       ARG  18 -11.146  -0.537  -0.350
  152    HB2  ARG  18           2HB      ARG  18 -13.697   0.510  -1.613
  153    HB3  ARG  18           1HB      ARG  18 -13.576  -1.005  -0.747
  154    HG2  ARG  18           2HG      ARG  18 -14.534   0.502   0.776
  155    HG3  ARG  18           1HG      ARG  18 -12.845   0.390   1.271
  156    HD2  ARG  18           2HD      ARG  18 -13.611   2.698   1.319
  157    HD3  ARG  18           1HD      ARG  18 -12.386   2.489   0.064
  158    HE   ARG  18           HE       ARG  18 -14.980   2.109  -0.975
  159   HH11  ARG  18          1HH1      ARG  18 -12.786   4.714   0.020
  160   HH12  ARG  18          2HH1      ARG  18 -13.527   5.874  -0.991
  161   HH21  ARG  18          1HH2      ARG  18 -15.972   3.716  -2.324
  162   HH22  ARG  18          2HH2      ARG  18 -15.336   5.310  -2.348
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -9.907  -2.124  -1.980
    2    HA2  GLY   1           2HA      GLY   1 -10.921  -3.774  -3.696
    3    HA3  GLY   1           1HA      GLY   1 -10.604  -2.415  -4.785
    4    H    VAL   2           H        VAL   2  -8.364  -1.381  -3.525
    5    HA   VAL   2           HA       VAL   2  -6.326  -3.412  -3.359
    6    HB   VAL   2           HB       VAL   2  -4.797  -1.985  -4.884
    7   HG11  VAL   2          1HG1      VAL   2  -7.098  -3.462  -6.154
    8   HG12  VAL   2          2HG1      VAL   2  -5.589  -4.170  -5.588
    9   HG13  VAL   2          3HG1      VAL   2  -5.582  -3.051  -6.954
   10   HG21  VAL   2          3HG2      VAL   2  -6.184   0.010  -5.070
   11   HG22  VAL   2          1HG2      VAL   2  -7.471  -0.935  -5.822
   12   HG23  VAL   2          2HG2      VAL   2  -5.948  -0.705  -6.669
   13    H    ABA   3           H        ABA   3  -6.449  -2.772  -1.173
   14    HA   ABA   3           HA       ABA   3  -5.764  -0.035  -0.527
   15    HB3  ABA   3           1HB      ABA   3  -6.241  -0.701   1.797
   16    HB2  ABA   3           2HB      ABA   3  -6.477  -2.361   1.275
   17    HG1  ABA   3           3HG      ABA   3  -8.153  -0.007   0.430
   18    HG3  ABA   3           1HG      ABA   3  -8.608  -1.225   1.621
   19    HG2  ABA   3           2HG      ABA   3  -8.394  -1.672  -0.074
   20    H    ARG   4           H        ARG   4  -3.665   0.411  -0.621
   21    HA   ARG   4           HA       ARG   4  -1.892  -1.569   0.540
   22    HB2  ARG   4           2HB      ARG   4  -1.284   0.293  -1.743
   23    HB3  ARG   4           1HB      ARG   4  -0.086  -0.672  -0.905
   24    HG2  ARG   4           2HG      ARG   4  -1.448  -2.711  -1.567
   25    HG3  ARG   4           1HG      ARG   4  -2.373  -1.636  -2.614
   26    HD2  ARG   4           2HD      ARG   4  -0.257  -0.987  -3.727
   27    HD3  ARG   4           1HD      ARG   4   0.595  -2.176  -2.742
   28    HE   ARG   4           HE       ARG   4  -1.560  -2.841  -4.622
   29   HH11  ARG   4          1HH1      ARG   4   1.662  -3.655  -3.229
   30   HH12  ARG   4          2HH1      ARG   4   1.885  -4.985  -4.230
   31   HH21  ARG   4          1HH2      ARG   4  -1.169  -4.685  -5.997
   32   HH22  ARG   4          2HH2      ARG   4   0.255  -5.598  -5.847
   33    H    ABA   5           H        ABA   5  -1.689  -0.898   2.477
   34    HA   ABA   5           HA       ABA   5  -0.308   1.651   2.865
   35    HB3  ABA   5           1HB      ABA   5  -1.160   1.604   5.223
   36    HB2  ABA   5           2HB      ABA   5  -2.120   0.183   4.832
   37    HG1  ABA   5           3HG      ABA   5  -3.501   2.160   4.851
   38    HG3  ABA   5           1HG      ABA   5  -3.402   1.499   3.222
   39    HG2  ABA   5           2HG      ABA   5  -2.461   2.927   3.651
   40    H    VAL   6           H        VAL   6   1.580   0.649   2.385
   41    HA   VAL   6           HA       VAL   6   2.560  -1.285   4.335
   42    HB   VAL   6           HB       VAL   6   3.787  -2.446   2.509
   43   HG11  VAL   6          1HG1      VAL   6   1.881  -3.728   1.612
   44   HG12  VAL   6          2HG1      VAL   6   0.788  -2.484   2.222
   45   HG13  VAL   6          3HG1      VAL   6   1.756  -3.442   3.345
   46   HG21  VAL   6          3HG2      VAL   6   3.060  -2.177   0.168
   47   HG22  VAL   6          1HG2      VAL   6   3.779  -0.700   0.810
   48   HG23  VAL   6          2HG2      VAL   6   2.027  -0.834   0.656
   49    H    ABA   7           H        ABA   7   4.752  -1.106   4.739
   50    HA   ABA   7           HA       ABA   7   6.060   1.189   3.530
   51    HB3  ABA   7           1HB      ABA   7   5.687   1.763   5.820
   52    HB2  ABA   7           2HB      ABA   7   7.374   1.266   5.694
   53    HG1  ABA   7           3HG      ABA   7   5.152  -0.437   6.772
   54    HG3  ABA   7           1HG      ABA   7   6.382   0.404   7.716
   55    HG2  ABA   7           2HG      ABA   7   6.846  -0.903   6.626
   56    H    ARG   8           H        ARG   8   6.514  -0.527   1.917
   57    HA   ARG   8           HA       ARG   8   8.618  -2.333   2.743
   58    HB2  ARG   8           2HB      ARG   8   7.017  -2.187   0.184
   59    HB3  ARG   8           1HB      ARG   8   8.271  -3.363   0.518
   60    HG2  ARG   8           2HG      ARG   8   5.663  -3.115   2.010
   61    HG3  ARG   8           1HG      ARG   8   5.999  -4.291   0.746
   62    HD2  ARG   8           2HD      ARG   8   6.310  -5.497   2.728
   63    HD3  ARG   8           1HD      ARG   8   7.949  -5.028   2.279
   64    HE   ARG   8           HE       ARG   8   6.631  -3.188   4.036
   65   HH11  ARG   8          1HH1      ARG   8   8.587  -6.142   3.990
   66   HH12  ARG   8          2HH1      ARG   8   9.230  -5.903   5.551
   67   HH21  ARG   8          1HH2      ARG   8   7.424  -2.921   6.193
   68   HH22  ARG   8          2HH2      ARG   8   8.503  -4.048   6.851
   69    H    ARG   9           H        ARG   9  10.598  -2.081   1.861
   70    HA   ARG   9           HA       ARG   9  11.422   0.403   0.800
   71    HB2  ARG   9           2HB      ARG   9  12.787  -2.288   0.827
   72    HB3  ARG   9           1HB      ARG   9  13.535  -0.853   0.150
   73    HG2  ARG   9           2HG      ARG   9  13.523   0.234   2.288
   74    HG3  ARG   9           1HG      ARG   9  12.598  -1.088   3.000
   75    HD2  ARG   9           2HD      ARG   9  15.332  -1.404   1.767
   76    HD3  ARG   9           1HD      ARG   9  15.050  -1.168   3.490
   77    HE   ARG   9           HE       ARG   9  13.575  -3.225   3.221
   78   HH11  ARG   9          1HH1      ARG   9  16.651  -2.771   1.477
   79   HH12  ARG   9          2HH1      ARG   9  16.981  -4.428   1.398
   80   HH21  ARG   9          1HH2      ARG   9  14.035  -5.486   3.051
   81   HH22  ARG   9          2HH2      ARG   9  15.467  -6.010   2.287
   82    H    GLY  10           H        GLY  10  10.540   1.095  -0.997
   83    HA2  GLY  10           2HA      GLY  10  11.033   0.975  -3.445
   84    HA3  GLY  10           1HA      GLY  10  10.462  -0.691  -3.325
   85    H    VAL  11           H        VAL  11   8.432  -0.029  -1.359
   86    HA   VAL  11           HA       VAL  11   6.648   1.684  -2.782
   87    HB   VAL  11           HB       VAL  11   6.287  -0.414  -3.971
   88   HG11  VAL  11          1HG1      VAL  11   5.614  -1.669  -1.327
   89   HG12  VAL  11          2HG1      VAL  11   7.026  -2.016  -2.327
   90   HG13  VAL  11          3HG1      VAL  11   5.407  -2.421  -2.909
   91   HG21  VAL  11          3HG2      VAL  11   3.868  -0.715  -3.628
   92   HG22  VAL  11          1HG2      VAL  11   4.348   0.981  -3.689
   93   HG23  VAL  11          2HG2      VAL  11   3.982   0.223  -2.140
   94    H    ABA  12           H        ABA  12   6.323   2.995  -1.171
   95    HA   ABA  12           HA       ABA  12   5.434   1.895   1.390
   96    HB3  ABA  12           1HB      ABA  12   6.160   4.047   2.385
   97    HB2  ABA  12           2HB      ABA  12   6.768   4.558   0.818
   98    HG1  ABA  12           3HG      ABA  12   8.577   3.783   2.237
   99    HG3  ABA  12           1HG      ABA  12   8.379   2.721   0.843
  100    HG2  ABA  12           2HG      ABA  12   7.778   2.218   2.421
  101    H    ARG  13           H        ARG  13   3.620   1.912  -0.460
  102    HA   ARG  13           HA       ARG  13   2.192   4.339  -0.755
  103    HB2  ARG  13           2HB      ARG  13   1.281   1.486  -1.150
  104    HB3  ARG  13           1HB      ARG  13   0.250   2.868  -1.464
  105    HG2  ARG  13           2HG      ARG  13   1.847   3.660  -3.147
  106    HG3  ARG  13           1HG      ARG  13   2.848   2.237  -2.850
  107    HD2  ARG  13           2HD      ARG  13   1.471   1.907  -4.821
  108    HD3  ARG  13           1HD      ARG  13   0.958   0.811  -3.545
  109    HE   ARG  13           HE       ARG  13  -0.561   3.143  -3.376
  110   HH11  ARG  13          1HH1      ARG  13  -0.170   0.513  -5.718
  111   HH12  ARG  13          2HH1      ARG  13  -1.791   0.504  -6.224
  112   HH21  ARG  13          1HH2      ARG  13  -2.812   3.175  -4.127
  113   HH22  ARG  13          2HH2      ARG  13  -3.312   2.083  -5.329
  114    H    ABA  14           H        ABA  14   0.342   5.033   0.231
  115    HA   ABA  14           HA       ABA  14  -0.572   3.647   2.614
  116    HB3  ABA  14           1HB      ABA  14   0.298   6.553   2.712
  117    HB2  ABA  14           2HB      ABA  14   1.265   5.224   3.339
  118    HG1  ABA  14           3HG      ABA  14  -1.474   6.007   4.319
  119    HG3  ABA  14           1HG      ABA  14   0.055   6.379   5.112
  120    HG2  ABA  14           2HG      ABA  14  -0.473   4.706   4.963
  121    H    VAL  15           H        VAL  15  -2.128   3.423   0.775
  122    HA   VAL  15           HA       VAL  15  -4.194   5.364   1.159
  123    HB   VAL  15           HB       VAL  15  -3.074   6.369  -0.693
  124   HG11  VAL  15          1HG1      VAL  15  -1.868   4.459  -1.596
  125   HG12  VAL  15          2HG1      VAL  15  -2.776   5.250  -2.877
  126   HG13  VAL  15          3HG1      VAL  15  -3.377   3.748  -2.169
  127   HG21  VAL  15          3HG2      VAL  15  -5.487   6.536  -0.727
  128   HG22  VAL  15          1HG2      VAL  15  -5.611   5.012  -1.603
  129   HG23  VAL  15          2HG2      VAL  15  -4.892   6.425  -2.380
  130    H    ABA  16           H        ABA  16  -6.065   4.496   1.212
  131    HA   ABA  16           HA       ABA  16  -6.254   1.670   0.581
  132    HB3  ABA  16           1HB      ABA  16  -8.161   1.668   2.166
  133    HB2  ABA  16           2HB      ABA  16  -7.814   3.349   2.530
  134    HG1  ABA  16           3HG      ABA  16  -6.910   1.857   4.225
  135    HG3  ABA  16           1HG      ABA  16  -5.633   2.741   3.392
  136    HG2  ABA  16           2HG      ABA  16  -5.931   1.054   3.000
  137    H    ARG  17           H        ARG  17  -6.707   2.152  -1.653
  138    HA   ARG  17           HA       ARG  17  -9.327   3.270  -2.165
  139    HB2  ARG  17           2HB      ARG  17  -7.448   1.741  -4.006
  140    HB3  ARG  17           1HB      ARG  17  -8.922   2.547  -4.499
  141    HG2  ARG  17           2HG      ARG  17  -7.904   4.710  -3.890
  142    HG3  ARG  17           1HG      ARG  17  -6.405   3.857  -3.496
  143    HD2  ARG  17           2HD      ARG  17  -6.351   2.966  -5.792
  144    HD3  ARG  17           1HD      ARG  17  -7.796   3.891  -6.172
  145    HE   ARG  17           HE       ARG  17  -5.768   5.600  -5.183
  146   HH11  ARG  17          1HH1      ARG  17  -6.755   3.819  -8.097
  147   HH12  ARG  17          2HH1      ARG  17  -5.769   4.733  -9.146
  148   HH21  ARG  17          1HH2      ARG  17  -4.450   6.866  -6.675
  149   HH22  ARG  17          2HH2      ARG  17  -4.507   6.515  -8.347
  150    H    ARG  18           H        ARG  18 -11.020   1.977  -1.653
  151    HA   ARG  18           HA       ARG  18 -10.557  -0.658  -0.847
  152    HB2  ARG  18           2HB      ARG  18 -13.152   0.759  -1.358
  153    HB3  ARG  18           1HB      ARG  18 -13.079  -0.891  -0.743
  154    HG2  ARG  18           2HG      ARG  18 -11.641   0.040   1.139
  155    HG3  ARG  18           1HG      ARG  18 -12.111   1.636   0.570
  156    HD2  ARG  18           2HD      ARG  18 -13.992  -0.535   1.492
  157    HD3  ARG  18           1HD      ARG  18 -13.518   0.871   2.431
  158    HE   ARG  18           HE       ARG  18 -14.564   1.912   0.147
  159   HH11  ARG  18          1HH1      ARG  18 -15.809  -0.295   2.630
  160   HH12  ARG  18          2HH1      ARG  18 -17.426   0.190   2.405
  161   HH21  ARG  18          1HH2      ARG  18 -16.755   2.542  -0.122
  162   HH22  ARG  18          2HH2      ARG  18 -17.990   1.793   0.805
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -9.470   0.237  -2.850
    2    HA2  GLY   1           2HA      GLY   1  -9.483  -0.527  -5.658
    3    HA3  GLY   1           1HA      GLY   1  -8.529   0.883  -5.175
    4    H    VAL   2           H        VAL   2  -7.155   0.461  -3.192
    5    HA   VAL   2           HA       VAL   2  -6.337  -2.197  -2.864
    6    HB   VAL   2           HB       VAL   2  -5.046  -1.832  -4.850
    7   HG11  VAL   2          1HG1      VAL   2  -3.314  -0.110  -5.093
    8   HG12  VAL   2          2HG1      VAL   2  -3.829   0.600  -3.565
    9   HG13  VAL   2          3HG1      VAL   2  -4.931   0.574  -4.942
   10   HG21  VAL   2          3HG2      VAL   2  -3.958  -3.150  -3.139
   11   HG22  VAL   2          1HG2      VAL   2  -3.234  -1.698  -2.453
   12   HG23  VAL   2          2HG2      VAL   2  -2.751  -2.244  -4.058
   13    H    ABA   3           H        ABA   3  -7.085  -1.748  -0.894
   14    HA   ABA   3           HA       ABA   3  -5.901   0.328   0.678
   15    HB3  ABA   3           1HB      ABA   3  -7.208  -0.694   2.572
   16    HB2  ABA   3           2HB      ABA   3  -7.732  -1.960   1.466
   17    HG1  ABA   3           3HG      ABA   3  -8.303   0.973   1.161
   18    HG3  ABA   3           1HG      ABA   3  -9.429  -0.258   1.739
   19    HG2  ABA   3           2HG      ABA   3  -8.836  -0.315   0.079
   20    H    ARG   4           H        ARG   4  -3.651  -0.371   0.533
   21    HA   ARG   4           HA       ARG   4  -2.992  -2.892   1.898
   22    HB2  ARG   4           2HB      ARG   4  -2.774  -2.833  -0.621
   23    HB3  ARG   4           1HB      ARG   4  -1.535  -1.613  -0.397
   24    HG2  ARG   4           2HG      ARG   4  -0.173  -3.210   0.819
   25    HG3  ARG   4           1HG      ARG   4  -1.420  -4.447   0.620
   26    HD2  ARG   4           2HD      ARG   4  -1.232  -4.115  -1.854
   27    HD3  ARG   4           1HD      ARG   4   0.146  -3.067  -1.550
   28    HE   ARG   4           HE       ARG   4   0.528  -5.586  -0.316
   29   HH11  ARG   4          1HH1      ARG   4   0.628  -3.992  -3.465
   30   HH12  ARG   4          2HH1      ARG   4   1.667  -5.147  -4.167
   31   HH21  ARG   4          1HH2      ARG   4   1.895  -7.180  -1.299
   32   HH22  ARG   4          2HH2      ARG   4   2.372  -6.997  -2.936
   33    H    ABA   5           H        ABA   5  -1.547  -2.604   3.550
   34    HA   ABA   5           HA       ABA   5  -0.306   0.027   3.687
   35    HB3  ABA   5           1HB      ABA   5  -1.900  -0.062   5.457
   36    HB2  ABA   5           2HB      ABA   5  -0.326  -0.253   6.208
   37    HG1  ABA   5           3HG      ABA   5  -0.688  -2.659   6.401
   38    HG3  ABA   5           1HG      ABA   5  -2.276  -2.481   5.656
   39    HG2  ABA   5           2HG      ABA   5  -1.952  -1.738   7.219
   40    H    VAL   6           H        VAL   6   1.410  -0.747   2.471
   41    HA   VAL   6           HA       VAL   6   3.353  -2.333   4.025
   42    HB   VAL   6           HB       VAL   6   3.244  -1.993   1.004
   43   HG11  VAL   6          1HG1      VAL   6   5.536  -2.228   1.798
   44   HG12  VAL   6          2HG1      VAL   6   5.041  -3.681   0.935
   45   HG13  VAL   6          3HG1      VAL   6   5.090  -3.677   2.699
   46   HG21  VAL   6          3HG2      VAL   6   2.720  -4.467   2.632
   47   HG22  VAL   6          1HG2      VAL   6   2.650  -4.344   0.878
   48   HG23  VAL   6          2HG2      VAL   6   1.472  -3.478   1.884
   49    H    ABA   7           H        ABA   7   5.292  -1.381   4.374
   50    HA   ABA   7           HA       ABA   7   5.759   1.213   3.131
   51    HB3  ABA   7           1HB      ABA   7   5.932   0.699   6.106
   52    HB2  ABA   7           2HB      ABA   7   4.644   1.594   5.312
   53    HG1  ABA   7           3HG      ABA   7   6.226   3.103   6.335
   54    HG3  ABA   7           1HG      ABA   7   6.266   3.274   4.582
   55    HG2  ABA   7           2HG      ABA   7   7.541   2.384   5.408
   56    H    ARG   8           H        ARG   8   7.320   0.088   1.903
   57    HA   ARG   8           HA       ARG   8   9.832  -0.145   3.338
   58    HB2  ARG   8           2HB      ARG   8   8.845  -1.977   1.133
   59    HB3  ARG   8           1HB      ARG   8  10.529  -1.868   1.601
   60    HG2  ARG   8           2HG      ARG   8   9.836  -2.570   3.906
   61    HG3  ARG   8           1HG      ARG   8   8.224  -2.866   3.259
   62    HD2  ARG   8           2HD      ARG   8  10.750  -4.149   2.218
   63    HD3  ARG   8           1HD      ARG   8   9.673  -4.894   3.385
   64    HE   ARG   8           HE       ARG   8   7.945  -4.735   1.631
   65   HH11  ARG   8          1HH1      ARG   8  11.373  -4.819   0.651
   66   HH12  ARG   8          2HH1      ARG   8  11.092  -5.643  -0.798
   67   HH21  ARG   8          1HH2      ARG   8   7.575  -5.895  -0.412
   68   HH22  ARG   8          2HH2      ARG   8   8.899  -6.246  -1.427
   69    H    ARG   9           H        ARG   9  11.579   0.699   2.176
   70    HA   ARG   9           HA       ARG   9  10.828   2.684   0.283
   71    HB2  ARG   9           2HB      ARG   9  13.543   1.821   1.265
   72    HB3  ARG   9           1HB      ARG   9  13.289   3.158   0.148
   73    HG2  ARG   9           2HG      ARG   9  12.235   2.966   2.963
   74    HG3  ARG   9           1HG      ARG   9  13.575   3.975   2.418
   75    HD2  ARG   9           2HD      ARG   9  12.016   5.169   0.911
   76    HD3  ARG   9           1HD      ARG   9  10.696   4.188   1.535
   77    HE   ARG   9           HE       ARG   9  12.088   5.485   3.617
   78   HH11  ARG   9          1HH1      ARG   9   9.639   6.037   1.105
   79   HH12  ARG   9          2HH1      ARG   9   8.955   7.377   1.873
   80   HH21  ARG   9          1HH2      ARG   9  11.137   7.306   4.680
   81   HH22  ARG   9          2HH2      ARG   9   9.827   8.134   3.964
   82    H    GLY  10           H        GLY  10  10.096   2.013  -1.474
   83    HA2  GLY  10           2HA      GLY  10  11.101   1.384  -3.761
   84    HA3  GLY  10           1HA      GLY  10  11.333  -0.177  -2.961
   85    H    VAL  11           H        VAL  11   8.998   0.139  -1.301
   86    HA   VAL  11           HA       VAL  11   6.734   0.191  -3.062
   87    HB   VAL  11           HB       VAL  11   5.897  -2.048  -2.071
   88   HG11  VAL  11          1HG1      VAL  11   6.969  -3.389  -3.811
   89   HG12  VAL  11          2HG1      VAL  11   8.176  -2.117  -4.028
   90   HG13  VAL  11          3HG1      VAL  11   6.489  -1.808  -4.427
   91   HG21  VAL  11          3HG2      VAL  11   7.577  -2.372  -0.380
   92   HG22  VAL  11          1HG2      VAL  11   8.855  -2.408  -1.598
   93   HG23  VAL  11          2HG2      VAL  11   7.653  -3.697  -1.539
   94    H    ABA  12           H        ABA  12   6.427   2.050  -1.722
   95    HA   ABA  12           HA       ABA  12   5.318   1.342   0.896
   96    HB3  ABA  12           1HB      ABA  12   6.005   4.085  -0.193
   97    HB2  ABA  12           2HB      ABA  12   7.051   3.176   0.891
   98    HG1  ABA  12           3HG      ABA  12   5.809   4.887   2.087
   99    HG3  ABA  12           1HG      ABA  12   5.315   3.281   2.620
  100    HG2  ABA  12           2HG      ABA  12   4.287   4.195   1.523
  101    H    ARG  13           H        ARG  13   3.191   1.206   0.932
  102    HA   ARG  13           HA       ARG  13   1.829   2.484  -1.281
  103    HB2  ARG  13           2HB      ARG  13   2.022   0.005  -1.520
  104    HB3  ARG  13           1HB      ARG  13   1.056  -0.168  -0.068
  105    HG2  ARG  13           2HG      ARG  13  -0.448  -0.541  -1.816
  106    HG3  ARG  13           1HG      ARG  13  -0.770   1.115  -1.318
  107    HD2  ARG  13           2HD      ARG  13   0.958   0.328  -3.687
  108    HD3  ARG  13           1HD      ARG  13  -0.748   0.719  -3.799
  109    HE   ARG  13           HE       ARG  13   1.042   2.811  -2.751
  110   HH11  ARG  13          1HH1      ARG  13  -0.804   1.593  -5.521
  111   HH12  ARG  13          2HH1      ARG  13  -0.749   3.088  -6.331
  112   HH21  ARG  13          1HH2      ARG  13   1.136   4.798  -3.895
  113   HH22  ARG  13          2HH2      ARG  13   0.346   4.932  -5.390
  114    H    ABA  14           H        ABA  14  -0.209   3.321  -0.868
  115    HA   ABA  14           HA       ABA  14  -0.853   3.745   1.947
  116    HB3  ABA  14           1HB      ABA  14  -0.413   5.805   0.675
  117    HB2  ABA  14           2HB      ABA  14  -2.115   5.716   1.112
  118    HG1  ABA  14           3HG      ABA  14  -2.678   4.996  -1.144
  119    HG3  ABA  14           1HG      ABA  14  -0.979   5.075  -1.603
  120    HG2  ABA  14           2HG      ABA  14  -1.838   6.545  -1.149
  121    H    VAL  15           H        VAL  15  -3.166   3.738   2.422
  122    HA   VAL  15           HA       VAL  15  -4.325   1.477   1.151
  123    HB   VAL  15           HB       VAL  15  -6.202   1.675   2.811
  124   HG11  VAL  15          1HG1      VAL  15  -4.843   1.087   4.779
  125   HG12  VAL  15          2HG1      VAL  15  -3.413   1.696   3.946
  126   HG13  VAL  15          3HG1      VAL  15  -4.279   0.301   3.306
  127   HG21  VAL  15          3HG2      VAL  15  -5.983   3.241   4.697
  128   HG22  VAL  15          1HG2      VAL  15  -6.164   4.111   3.173
  129   HG23  VAL  15          2HG2      VAL  15  -4.579   3.976   3.931
  130    H    ABA  16           H        ABA  16  -4.918   1.879  -0.847
  131    HA   ABA  16           HA       ABA  16  -6.482   4.186  -1.500
  132    HB3  ABA  16           1HB      ABA  16  -6.490   3.245  -3.801
  133    HB2  ABA  16           2HB      ABA  16  -5.626   1.838  -3.196
  134    HG1  ABA  16           3HG      ABA  16  -4.617   4.670  -3.146
  135    HG3  ABA  16           1HG      ABA  16  -4.114   3.410  -4.275
  136    HG2  ABA  16           2HG      ABA  16  -3.749   3.252  -2.555
  137    H    ARG  17           H        ARG  17  -7.983   3.740  -0.201
  138    HA   ARG  17           HA       ARG  17 -10.085   2.225   0.326
  139    HB2  ARG  17           2HB      ARG  17 -10.493   4.955  -0.887
  140    HB3  ARG  17           1HB      ARG  17 -11.677   4.085   0.062
  141    HG2  ARG  17           2HG      ARG  17  -8.993   4.970   1.098
  142    HG3  ARG  17           1HG      ARG  17 -10.489   5.872   1.301
  143    HD2  ARG  17           2HD      ARG  17  -9.953   3.087   2.323
  144    HD3  ARG  17           1HD      ARG  17  -9.948   4.564   3.283
  145    HE   ARG  17           HE       ARG  17 -12.377   3.778   1.832
  146   HH11  ARG  17          1HH1      ARG  17 -10.788   4.458   4.915
  147   HH12  ARG  17          2HH1      ARG  17 -12.211   4.329   5.837
  148   HH21  ARG  17          1HH2      ARG  17 -14.302   3.579   3.068
  149   HH22  ARG  17          2HH2      ARG  17 -14.271   3.789   4.761
  150    H    ARG  18           H        ARG  18 -11.060   0.709  -0.734
  151    HA   ARG  18           HA       ARG  18 -12.029  -0.562  -2.259
  152    HB2  ARG  18           2HB      ARG  18 -13.179   2.073  -3.076
  153    HB3  ARG  18           1HB      ARG  18 -13.666   0.563  -3.836
  154    HG2  ARG  18           2HG      ARG  18 -14.287  -0.251  -1.542
  155    HG3  ARG  18           1HG      ARG  18 -14.010   1.394  -0.969
  156    HD2  ARG  18           2HD      ARG  18 -16.380   0.966  -1.462
  157    HD3  ARG  18           1HD      ARG  18 -15.711   2.237  -2.487
  158    HE   ARG  18           HE       ARG  18 -15.412   0.319  -4.160
  159   HH11  ARG  18          1HH1      ARG  18 -18.148   0.561  -1.934
  160   HH12  ARG  18          2HH1      ARG  18 -19.214  -0.308  -2.928
  161   HH21  ARG  18          1HH2      ARG  18 -16.843  -0.867  -5.521
  162   HH22  ARG  18          2HH2      ARG  18 -18.458  -1.146  -5.045
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1 -10.926   1.779  -0.350
    2    HA2  GLY   1           2HA      GLY   1 -11.394   1.719   2.058
    3    HA3  GLY   1           1HA      GLY   1 -11.468  -0.028   1.904
    4    H    VAL   2           H        VAL   2  -9.455  -1.034   1.029
    5    HA   VAL   2           HA       VAL   2  -7.095   0.395   1.893
    6    HB   VAL   2           HB       VAL   2  -6.204  -1.631   3.081
    7   HG11  VAL   2          1HG1      VAL   2  -6.972   0.265   4.354
    8   HG12  VAL   2          2HG1      VAL   2  -7.413  -1.223   5.190
    9   HG13  VAL   2          3HG1      VAL   2  -8.633  -0.322   4.289
   10   HG21  VAL   2          3HG2      VAL   2  -9.080  -2.527   3.045
   11   HG22  VAL   2          1HG2      VAL   2  -7.789  -3.272   3.982
   12   HG23  VAL   2          2HG2      VAL   2  -7.742  -3.320   2.218
   13    H    ABA   3           H        ABA   3  -5.951   0.502   0.180
   14    HA   ABA   3           HA       ABA   3  -5.019  -2.010  -0.878
   15    HB3  ABA   3           1HB      ABA   3  -5.631   0.407  -2.608
   16    HB2  ABA   3           2HB      ABA   3  -6.566  -1.085  -2.575
   17    HG1  ABA   3           3HG      ABA   3  -3.698  -0.845  -3.459
   18    HG3  ABA   3           1HG      ABA   3  -5.100  -0.993  -4.519
   19    HG2  ABA   3           2HG      ABA   3  -4.666  -2.322  -3.449
   20    H    ARG   4           H        ARG   4  -3.079  -2.051  -0.082
   21    HA   ARG   4           HA       ARG   4  -1.363   0.241  -0.301
   22    HB2  ARG   4           2HB      ARG   4  -0.753  -0.233   2.153
   23    HB3  ARG   4           1HB      ARG   4  -2.246   0.642   1.779
   24    HG2  ARG   4           2HG      ARG   4  -3.531  -1.410   2.087
   25    HG3  ARG   4           1HG      ARG   4  -2.051  -2.273   2.503
   26    HD2  ARG   4           2HD      ARG   4  -2.959   0.164   3.996
   27    HD3  ARG   4           1HD      ARG   4  -3.540  -1.441   4.425
   28    HE   ARG   4           HE       ARG   4  -0.895  -1.760   4.387
   29   HH11  ARG   4          1HH1      ARG   4  -2.891   0.717   5.963
   30   HH12  ARG   4          2HH1      ARG   4  -1.942   0.769   7.385
   31   HH21  ARG   4          1HH2      ARG   4   0.398  -1.670   6.356
   32   HH22  ARG   4          2HH2      ARG   4  -0.047  -0.603   7.604
   33    H    ABA   5           H        ABA   5   0.580  -0.323  -0.770
   34    HA   ABA   5           HA       ABA   5   1.248  -3.032  -1.355
   35    HB3  ABA   5           1HB      ABA   5   3.481  -2.112  -1.939
   36    HB2  ABA   5           2HB      ABA   5   2.983  -0.549  -1.300
   37    HG1  ABA   5           3HG      ABA   5   1.233  -0.407  -2.990
   38    HG3  ABA   5           1HG      ABA   5   1.740  -1.960  -3.647
   39    HG2  ABA   5           2HG      ABA   5   2.830  -0.575  -3.716
   40    H    VAL   6           H        VAL   6   3.199  -4.083  -0.493
   41    HA   VAL   6           HA       VAL   6   3.041  -4.412   2.258
   42    HB   VAL   6           HB       VAL   6   3.871  -6.149   0.783
   43   HG11  VAL   6          1HG1      VAL   6   6.150  -6.123  -0.155
   44   HG12  VAL   6          2HG1      VAL   6   6.335  -4.461   0.404
   45   HG13  VAL   6          3HG1      VAL   6   5.135  -4.844  -0.826
   46   HG21  VAL   6          3HG2      VAL   6   5.917  -5.343   2.834
   47   HG22  VAL   6          1HG2      VAL   6   5.804  -6.947   2.106
   48   HG23  VAL   6          2HG2      VAL   6   4.485  -6.334   3.106
   49    H    ABA   7           H        ABA   7   4.137  -3.666   3.926
   50    HA   ABA   7           HA       ABA   7   5.096  -1.002   3.676
   51    HB3  ABA   7           1HB      ABA   7   5.449  -1.107   6.122
   52    HB2  ABA   7           2HB      ABA   7   4.998  -2.807   6.094
   53    HG1  ABA   7           3HG      ABA   7   2.796  -2.175   5.192
   54    HG3  ABA   7           1HG      ABA   7   3.250  -0.483   5.331
   55    HG2  ABA   7           2HG      ABA   7   3.106  -1.480   6.783
   56    H    ARG   8           H        ARG   8   6.856  -0.888   2.509
   57    HA   ARG   8           HA       ARG   8   9.326  -1.860   3.716
   58    HB2  ARG   8           2HB      ARG   8   8.699  -1.480   0.772
   59    HB3  ARG   8           1HB      ARG   8  10.216  -2.047   1.440
   60    HG2  ARG   8           2HG      ARG   8   7.608  -3.502   1.719
   61    HG3  ARG   8           1HG      ARG   8   8.797  -3.837   0.459
   62    HD2  ARG   8           2HD      ARG   8  10.422  -4.474   2.124
   63    HD3  ARG   8           1HD      ARG   8   9.333  -3.994   3.425
   64    HE   ARG   8           HE       ARG   8   7.922  -5.804   2.887
   65   HH11  ARG   8          1HH1      ARG   8  11.073  -5.928   1.273
   66   HH12  ARG   8          2HH1      ARG   8  10.998  -7.585   0.950
   67   HH21  ARG   8          1HH2      ARG   8   7.826  -8.159   2.415
   68   HH22  ARG   8          2HH2      ARG   8   9.132  -8.879   1.648
   69    H    ARG   9           H        ARG   9  10.957  -0.253   3.692
   70    HA   ARG   9           HA       ARG   9  10.028   2.455   3.436
   71    HB2  ARG   9           2HB      ARG   9  12.760   1.338   4.073
   72    HB3  ARG   9           1HB      ARG   9  12.410   3.054   4.007
   73    HG2  ARG   9           2HG      ARG   9  11.133   1.077   5.900
   74    HG3  ARG   9           1HG      ARG   9  12.427   2.211   6.293
   75    HD2  ARG   9           2HD      ARG   9  10.946   4.091   5.747
   76    HD3  ARG   9           1HD      ARG   9   9.659   2.949   5.363
   77    HE   ARG   9           HE       ARG   9  10.608   2.462   7.937
   78   HH11  ARG   9          1HH1      ARG   9   8.689   4.855   6.168
   79   HH12  ARG   9          2HH1      ARG   9   7.771   5.353   7.503
   80   HH21  ARG   9          1HH2      ARG   9   9.329   3.125   9.813
   81   HH22  ARG   9          2HH2      ARG   9   8.149   4.341   9.640
   82    H    GLY  10           H        GLY  10   9.547   2.899   1.438
   83    HA2  GLY  10           2HA      GLY  10  11.145   3.999  -0.358
   84    HA3  GLY  10           1HA      GLY  10  11.355   2.286  -0.736
   85    H    VAL  11           H        VAL  11   9.096   1.100  -0.623
   86    HA   VAL  11           HA       VAL  11   7.148   2.788  -1.956
   87    HB   VAL  11           HB       VAL  11   7.961   0.014  -2.915
   88   HG11  VAL  11          1HG1      VAL  11   6.224   0.254  -4.623
   89   HG12  VAL  11          2HG1      VAL  11   5.776   1.819  -3.967
   90   HG13  VAL  11          3HG1      VAL  11   5.492   0.356  -3.018
   91   HG21  VAL  11          3HG2      VAL  11   9.445   1.753  -3.674
   92   HG22  VAL  11          1HG2      VAL  11   8.076   2.729  -4.201
   93   HG23  VAL  11          2HG2      VAL  11   8.431   1.220  -5.023
   94    H    ABA  12           H        ABA  12   5.774   2.955  -0.458
   95    HA   ABA  12           HA       ABA  12   4.366   0.570   0.410
   96    HB3  ABA  12           1HB      ABA  12   5.100   2.900   2.235
   97    HB2  ABA  12           2HB      ABA  12   5.889   1.332   2.278
   98    HG1  ABA  12           3HG      ABA  12   3.731   0.296   2.889
   99    HG3  ABA  12           1HG      ABA  12   3.009   1.897   2.929
  100    HG2  ABA  12           2HG      ABA  12   4.284   1.477   4.074
  101    H    ARG  13           H        ARG  13   3.532   1.631  -1.619
  102    HA   ARG  13           HA       ARG  13   2.165   4.093  -1.476
  103    HB2  ARG  13           2HB      ARG  13   1.715   1.815  -3.412
  104    HB3  ARG  13           1HB      ARG  13   1.081   3.435  -3.592
  105    HG2  ARG  13           2HG      ARG  13   3.380   4.299  -3.745
  106    HG3  ARG  13           1HG      ARG  13   3.978   2.638  -3.610
  107    HD2  ARG  13           2HD      ARG  13   2.652   2.068  -5.641
  108    HD3  ARG  13           1HD      ARG  13   2.232   3.768  -5.792
  109    HE   ARG  13           HE       ARG  13   5.013   3.568  -5.675
  110   HH11  ARG  13          1HH1      ARG  13   2.330   2.796  -7.844
  111   HH12  ARG  13          2HH1      ARG  13   3.270   2.797  -9.267
  112   HH21  ARG  13          1HH2      ARG  13   6.346   3.520  -7.685
  113   HH22  ARG  13          2HH2      ARG  13   5.574   3.204  -9.171
  114    H    ABA  14           H        ABA  14   0.267   4.560  -0.692
  115    HA   ABA  14           HA       ABA  14  -1.512   2.364   0.050
  116    HB3  ABA  14           1HB      ABA  14  -1.219   5.060   1.417
  117    HB2  ABA  14           2HB      ABA  14  -0.479   3.574   1.993
  118    HG1  ABA  14           3HG      ABA  14  -2.490   4.119   3.248
  119    HG3  ABA  14           1HG      ABA  14  -2.683   2.600   2.370
  120    HG2  ABA  14           2HG      ABA  14  -3.435   4.071   1.763
  121    H    VAL  15           H        VAL  15  -1.952   2.850  -2.301
  122    HA   VAL  15           HA       VAL  15  -3.730   5.087  -2.672
  123    HB   VAL  15           HB       VAL  15  -3.940   4.148  -5.063
  124   HG11  VAL  15          1HG1      VAL  15  -1.719   4.972  -5.730
  125   HG12  VAL  15          2HG1      VAL  15  -1.191   4.878  -4.049
  126   HG13  VAL  15          3HG1      VAL  15  -2.455   6.016  -4.514
  127   HG21  VAL  15          3HG2      VAL  15  -3.250   1.838  -4.605
  128   HG22  VAL  15          1HG2      VAL  15  -1.653   2.403  -4.112
  129   HG23  VAL  15          2HG2      VAL  15  -2.168   2.586  -5.783
  130    H    ABA  16           H        ABA  16  -5.428   4.741  -1.516
  131    HA   ABA  16           HA       ABA  16  -6.541   2.269  -0.870
  132    HB3  ABA  16           1HB      ABA  16  -8.431   3.563   0.065
  133    HB2  ABA  16           2HB      ABA  16  -7.744   5.017  -0.656
  134    HG1  ABA  16           3HG      ABA  16  -6.404   3.291   1.406
  135    HG3  ABA  16           1HG      ABA  16  -7.192   4.843   1.705
  136    HG2  ABA  16           2HG      ABA  16  -5.745   4.764   0.694
  137    H    ARG  17           H        ARG  17  -7.406   0.931  -2.196
  138    HA   ARG  17           HA       ARG  17  -9.391   1.947  -4.059
  139    HB2  ARG  17           2HB      ARG  17  -7.751  -0.595  -4.192
  140    HB3  ARG  17           1HB      ARG  17  -9.038  -0.184  -5.310
  141    HG2  ARG  17           2HG      ARG  17  -6.484   1.373  -4.923
  142    HG3  ARG  17           1HG      ARG  17  -6.840   0.285  -6.266
  143    HD2  ARG  17           2HD      ARG  17  -8.304   2.839  -5.574
  144    HD3  ARG  17           1HD      ARG  17  -7.229   2.583  -6.945
  145    HE   ARG  17           HE       ARG  17  -8.922   0.735  -7.495
  146   HH11  ARG  17          1HH1      ARG  17  -9.718   3.933  -6.196
  147   HH12  ARG  17          2HH1      ARG  17 -11.253   4.005  -6.915
  148   HH21  ARG  17          1HH2      ARG  17 -11.073   0.848  -8.493
  149   HH22  ARG  17          2HH2      ARG  17 -11.995   2.255  -8.275
  150    H    ARG  18           H        ARG  18 -11.220   1.868  -3.062
  151    HA   ARG  18           HA       ARG  18 -13.007   1.222  -1.962
  152    HB2  ARG  18           2HB      ARG  18 -12.095  -1.459  -2.920
  153    HB3  ARG  18           1HB      ARG  18 -13.635  -1.236  -2.080
  154    HG2  ARG  18           2HG      ARG  18 -14.293   0.360  -3.853
  155    HG3  ARG  18           1HG      ARG  18 -12.782   0.005  -4.692
  156    HD2  ARG  18           2HD      ARG  18 -13.425  -2.300  -4.943
  157    HD3  ARG  18           1HD      ARG  18 -14.884  -2.031  -3.986
  158    HE   ARG  18           HE       ARG  18 -14.661  -0.328  -6.267
  159   HH11  ARG  18          1HH1      ARG  18 -15.740  -3.537  -5.199
  160   HH12  ARG  18          2HH1      ARG  18 -16.898  -3.708  -6.436
  161   HH21  ARG  18          1HH2      ARG  18 -16.322  -0.588  -7.965
  162   HH22  ARG  18          2HH2      ARG  18 -17.227  -2.027  -7.987
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1 -11.285   2.103  -1.191
    2    HA2  GLY   1           2HA      GLY   1 -11.485   3.565   0.683
    3    HA3  GLY   1           1HA      GLY   1 -11.299   2.171   1.742
    4    H    VAL   2           H        VAL   2  -9.215   0.968   1.314
    5    HA   VAL   2           HA       VAL   2  -7.013   2.553   0.543
    6    HB   VAL   2           HB       VAL   2  -7.299   3.361   2.863
    7   HG11  VAL   2          1HG1      VAL   2  -6.913   1.888   4.787
    8   HG12  VAL   2          2HG1      VAL   2  -6.952   0.499   3.700
    9   HG13  VAL   2          3HG1      VAL   2  -8.386   1.499   3.900
   10   HG21  VAL   2          3HG2      VAL   2  -4.867   1.614   2.525
   11   HG22  VAL   2          1HG2      VAL   2  -5.026   2.943   3.675
   12   HG23  VAL   2          2HG2      VAL   2  -5.054   3.270   1.942
   13    H    ABA   3           H        ABA   3  -5.668   1.307  -0.400
   14    HA   ABA   3           HA       ABA   3  -5.727  -1.517   0.228
   15    HB3  ABA   3           1HB      ABA   3  -5.180  -0.136  -2.389
   16    HB2  ABA   3           2HB      ABA   3  -6.618  -1.055  -1.949
   17    HG1  ABA   3           3HG      ABA   3  -5.324  -3.110  -1.877
   18    HG3  ABA   3           1HG      ABA   3  -3.863  -2.194  -2.268
   19    HG2  ABA   3           2HG      ABA   3  -5.165  -2.295  -3.445
   20    H    ARG   4           H        ARG   4  -4.061  -1.278   1.785
   21    HA   ARG   4           HA       ARG   4  -1.497  -0.417   0.717
   22    HB2  ARG   4           2HB      ARG   4  -0.898   0.382   2.928
   23    HB3  ARG   4           1HB      ARG   4  -2.356   1.169   2.345
   24    HG2  ARG   4           2HG      ARG   4  -3.663  -0.449   3.775
   25    HG3  ARG   4           1HG      ARG   4  -2.123  -0.943   4.482
   26    HD2  ARG   4           2HD      ARG   4  -3.324   1.822   4.501
   27    HD3  ARG   4           1HD      ARG   4  -3.170   0.740   5.879
   28    HE   ARG   4           HE       ARG   4  -0.657   0.974   5.306
   29   HH11  ARG   4          1HH1      ARG   4  -3.082   3.569   5.232
   30   HH12  ARG   4          2HH1      ARG   4  -1.936   4.811   5.433
   31   HH21  ARG   4          1HH2      ARG   4   0.901   2.751   5.603
   32   HH22  ARG   4          2HH2      ARG   4   0.294   4.352   5.666
   33    H    ABA   5           H        ABA   5   0.076  -1.764   0.774
   34    HA   ABA   5           HA       ABA   5  -0.095  -4.152   2.466
   35    HB3  ABA   5           1HB      ABA   5  -0.606  -4.856   0.190
   36    HB2  ABA   5           2HB      ABA   5   1.002  -5.423   0.600
   37    HG1  ABA   5           3HG      ABA   5   0.926  -4.594  -1.677
   38    HG3  ABA   5           1HG      ABA   5   1.994  -3.604  -0.681
   39    HG2  ABA   5           2HG      ABA   5   0.383  -3.021  -1.097
   40    H    VAL   6           H        VAL   6   1.859  -4.807   3.376
   41    HA   VAL   6           HA       VAL   6   3.677  -2.679   3.743
   42    HB   VAL   6           HB       VAL   6   4.999  -4.186   5.218
   43   HG11  VAL   6          1HG1      VAL   6   3.267  -4.450   6.932
   44   HG12  VAL   6          2HG1      VAL   6   2.031  -4.145   5.715
   45   HG13  VAL   6          3HG1      VAL   6   3.192  -2.883   6.132
   46   HG21  VAL   6          3HG2      VAL   6   4.587  -6.324   4.071
   47   HG22  VAL   6          1HG2      VAL   6   2.891  -6.254   4.548
   48   HG23  VAL   6          2HG2      VAL   6   4.145  -6.420   5.777
   49    H    ABA   7           H        ABA   7   5.193  -2.046   2.603
   50    HA   ABA   7           HA       ABA   7   6.866  -3.848   1.049
   51    HB3  ABA   7           1HB      ABA   7   6.792  -1.978  -0.697
   52    HB2  ABA   7           2HB      ABA   7   5.439  -1.361   0.255
   53    HG1  ABA   7           3HG      ABA   7   4.122  -3.298  -0.175
   54    HG3  ABA   7           1HG      ABA   7   5.431  -4.039  -1.093
   55    HG2  ABA   7           2HG      ABA   7   4.646  -2.579  -1.700
   56    H    ARG   8           H        ARG   8   8.469  -1.722   0.046
   57    HA   ARG   8           HA       ARG   8  10.197  -1.385   2.183
   58    HB2  ARG   8           2HB      ARG   8  10.017   0.050  -0.439
   59    HB3  ARG   8           1HB      ARG   8  11.274   0.369   0.735
   60    HG2  ARG   8           2HG      ARG   8  11.846  -2.103   0.556
   61    HG3  ARG   8           1HG      ARG   8  10.798  -2.120  -0.866
   62    HD2  ARG   8           2HD      ARG   8  13.097  -1.710  -1.554
   63    HD3  ARG   8           1HD      ARG   8  12.121  -0.270  -1.835
   64    HE   ARG   8           HE       ARG   8  13.968  -0.628   0.427
   65   HH11  ARG   8          1HH1      ARG   8  12.400   1.486  -1.932
   66   HH12  ARG   8          2HH1      ARG   8  13.111   2.924  -1.372
   67   HH21  ARG   8          1HH2      ARG   8  15.030   1.323   1.177
   68   HH22  ARG   8          2HH2      ARG   8  14.699   2.823   0.436
   69    H    ARG   9           H        ARG   9  10.855   0.374   3.130
   70    HA   ARG   9           HA       ARG   9   8.829   2.229   4.022
   71    HB2  ARG   9           2HB      ARG   9  11.723   1.863   4.822
   72    HB3  ARG   9           1HB      ARG   9  10.653   3.049   5.555
   73    HG2  ARG   9           2HG      ARG   9   9.182   1.275   6.323
   74    HG3  ARG   9           1HG      ARG   9  10.221   0.075   5.559
   75    HD2  ARG   9           2HD      ARG   9  12.014   0.600   7.042
   76    HD3  ARG   9           1HD      ARG   9  11.131   1.972   7.717
   77    HE   ARG   9           HE       ARG   9   9.506  -0.173   8.095
   78   HH11  ARG   9          1HH1      ARG   9  12.863   0.459   9.016
   79   HH12  ARG   9          2HH1      ARG   9  12.760  -0.374  10.494
   80   HH21  ARG   9          1HH2      ARG   9   9.356  -1.313  10.144
   81   HH22  ARG   9          2HH2      ARG   9  10.729  -1.388  11.152
   82    H    GLY  10           H        GLY  10   8.480   3.289   2.132
   83    HA2  GLY  10           2HA      GLY  10   9.277   5.708   1.593
   84    HA3  GLY  10           1HA      GLY  10  10.644   4.817   0.922
   85    H    VAL  11           H        VAL  11   9.243   2.552   0.094
   86    HA   VAL  11           HA       VAL  11   7.522   3.612  -2.028
   87    HB   VAL  11           HB       VAL  11   9.398   1.269  -2.359
   88   HG11  VAL  11          1HG1      VAL  11   8.952   1.595  -4.766
   89   HG12  VAL  11          2HG1      VAL  11   7.808   2.871  -4.349
   90   HG13  VAL  11          3HG1      VAL  11   7.503   1.214  -3.835
   91   HG21  VAL  11          3HG2      VAL  11  10.763   3.257  -2.053
   92   HG22  VAL  11          1HG2      VAL  11   9.855   4.087  -3.315
   93   HG23  VAL  11          2HG2      VAL  11  10.850   2.689  -3.722
   94    H    ABA  12           H        ABA  12   5.758   3.013  -0.799
   95    HA   ABA  12           HA       ABA  12   5.352   0.156  -0.766
   96    HB3  ABA  12           1HB      ABA  12   5.759   0.721   1.566
   97    HB2  ABA  12           2HB      ABA  12   4.063   0.321   1.366
   98    HG1  ABA  12           3HG      ABA  12   4.321   2.202   2.846
   99    HG3  ABA  12           1HG      ABA  12   3.492   2.692   1.368
  100    HG2  ABA  12           2HG      ABA  12   5.194   3.092   1.600
  101    H    ARG  13           H        ARG  13   3.444  -0.536  -1.424
  102    HA   ARG  13           HA       ARG  13   1.950   1.394  -2.857
  103    HB2  ARG  13           2HB      ARG  13   1.738  -1.593  -2.710
  104    HB3  ARG  13           1HB      ARG  13   0.512  -0.620  -3.512
  105    HG2  ARG  13           2HG      ARG  13   2.218   0.307  -5.002
  106    HG3  ARG  13           1HG      ARG  13   3.444  -0.681  -4.203
  107    HD2  ARG  13           2HD      ARG  13   2.643  -1.652  -6.338
  108    HD3  ARG  13           1HD      ARG  13   2.362  -2.697  -4.944
  109    HE   ARG  13           HE       ARG  13   0.036  -1.527  -5.046
  110   HH11  ARG  13          1HH1      ARG  13   1.892  -2.723  -7.856
  111   HH12  ARG  13          2HH1      ARG  13   0.504  -3.096  -8.746
  112   HH21  ARG  13          1HH2      ARG  13  -1.853  -2.101  -6.298
  113   HH22  ARG  13          2HH2      ARG  13  -1.644  -2.712  -7.865
  114    H    ABA  14           H        ABA  14   0.605   2.571  -2.039
  115    HA   ABA  14           HA       ABA  14  -1.393   1.582  -0.172
  116    HB3  ABA  14           1HB      ABA  14   0.079   4.237   0.009
  117    HB2  ABA  14           2HB      ABA  14   0.377   2.868   1.072
  118    HG1  ABA  14           3HG      ABA  14  -1.890   3.050   1.966
  119    HG3  ABA  14           1HG      ABA  14  -2.202   4.406   0.883
  120    HG2  ABA  14           2HG      ABA  14  -0.994   4.552   2.159
  121    H    VAL  15           H        VAL  15  -2.431   1.385  -2.232
  122    HA   VAL  15           HA       VAL  15  -3.129   3.896  -3.526
  123    HB   VAL  15           HB       VAL  15  -4.125   2.526  -5.350
  124   HG11  VAL  15          1HG1      VAL  15  -1.825   3.226  -5.569
  125   HG12  VAL  15          2HG1      VAL  15  -2.036   1.621  -6.272
  126   HG13  VAL  15          3HG1      VAL  15  -1.283   1.798  -4.689
  127   HG21  VAL  15          3HG2      VAL  15  -3.654   0.093  -5.432
  128   HG22  VAL  15          1HG2      VAL  15  -4.784   0.552  -4.161
  129   HG23  VAL  15          2HG2      VAL  15  -3.107   0.173  -3.756
  130    H    ABA  16           H        ABA  16  -5.510   4.020  -4.218
  131    HA   ABA  16           HA       ABA  16  -6.931   3.485  -1.760
  132    HB3  ABA  16           1HB      ABA  16  -6.937   5.819  -2.203
  133    HB2  ABA  16           2HB      ABA  16  -8.550   5.235  -2.578
  134    HG1  ABA  16           3HG      ABA  16  -8.055   5.280  -4.954
  135    HG3  ABA  16           1HG      ABA  16  -6.425   5.854  -4.603
  136    HG2  ABA  16           2HG      ABA  16  -7.817   6.867  -4.215
  137    H    ARG  17           H        ARG  17  -7.174   1.219  -2.407
  138    HA   ARG  17           HA       ARG  17  -9.477   1.058  -4.143
  139    HB2  ARG  17           2HB      ARG  17  -7.351  -1.066  -3.735
  140    HB3  ARG  17           1HB      ARG  17  -8.860  -1.303  -4.601
  141    HG2  ARG  17           2HG      ARG  17  -8.198   0.405  -6.215
  142    HG3  ARG  17           1HG      ARG  17  -6.669   0.609  -5.362
  143    HD2  ARG  17           2HD      ARG  17  -6.125  -1.743  -5.790
  144    HD3  ARG  17           1HD      ARG  17  -7.649  -1.935  -6.654
  145    HE   ARG  17           HE       ARG  17  -5.911   0.153  -7.615
  146   HH11  ARG  17          1HH1      ARG  17  -6.983  -3.217  -8.021
  147   HH12  ARG  17          2HH1      ARG  17  -6.367  -3.361  -9.597
  148   HH21  ARG  17          1HH2      ARG  17  -5.043  -0.079  -9.784
  149   HH22  ARG  17          2HH2      ARG  17  -5.226  -1.532 -10.633
  150    H    ARG  18           H        ARG  18 -11.233   0.538  -3.218
  151    HA   ARG  18           HA       ARG  18 -12.774  -0.041  -1.726
  152    HB2  ARG  18           2HB      ARG  18 -10.692  -2.017  -0.885
  153    HB3  ARG  18           1HB      ARG  18 -12.379  -2.118  -0.354
  154    HG2  ARG  18           2HG      ARG  18 -11.232  -2.509  -3.126
  155    HG3  ARG  18           1HG      ARG  18 -12.011  -3.724  -2.115
  156    HD2  ARG  18           2HD      ARG  18 -13.327  -1.309  -3.368
  157    HD3  ARG  18           1HD      ARG  18 -13.508  -2.979  -3.891
  158    HE   ARG  18           HE       ARG  18 -14.227  -2.812  -1.211
  159   HH11  ARG  18          1HH1      ARG  18 -15.427  -1.710  -4.361
  160   HH12  ARG  18          2HH1      ARG  18 -17.058  -1.676  -3.906
  161   HH21  ARG  18          1HH2      ARG  18 -16.478  -2.700  -0.550
  162   HH22  ARG  18          2HH2      ARG  18 -17.673  -2.246  -1.687